vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex
MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
6685
This VASP executable licensed from Materials Design, Inc.
executed on Lin64 date 2024.05.30 21:10:39
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on NCORE= 1 cores, 4 groups
--------------------------------------------------------------------------------------------------------
INCAR:
SYSTEM = Response tensors LKU21 VMC-1 Si69C60O87H152 from job 978
PREC = Normal
ENCUT = 400.000
IBRION = 8
NSW = 1
ISIF = 2
NELMIN = 6
EDIFF = 1.0e-05
VOSKOWN = 1
NWRITE = 1
NELM = 200
ALGO = Normal (blocked Davidson)
ISPIN = 1
INIWAV = 1
ISTART = 0
ICHARG = 2
LEPSILON = .TRUE.
LRPA = .FALSE.
LWAVE = .FALSE.
LCHARG = .FALSE.
ADDGRID = .FALSE.
ISMEAR = -5
LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 1.11 0.77 0.73 0.32
NPAR = 4
POTCAR: PAW_PBE Si 05Jan2001
POTCAR: PAW_PBE C 08Apr2002
POTCAR: PAW_PBE O 08Apr2002
POTCAR: PAW_PBE H 15Jun2001
POTCAR: PAW_PBE Si 05Jan2001
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 4
number of lm-projection operators is LMMAX = 8
POTCAR: PAW_PBE C 08Apr2002
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 4
number of lm-projection operators is LMMAX = 8
POTCAR: PAW_PBE O 08Apr2002
local pseudopotential read in
partial core-charges read in
partial kinetic energy density read in
kinetic energy density of atom read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 4
number of lm-projection operators is LMMAX = 8
POTCAR: PAW_PBE H 15Jun2001
local pseudopotential read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 3
number of lm-projection operators is LMMAX = 5
Optimization of the real space projectors (new method)
maximal supplied QI-value = 19.84
optimisation between [QCUT,QGAM] = [ 10.12, 20.44] = [ 28.68,116.96] Ry
Optimized for a Real-space Cutoff 1.23 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 7 10.119 159.560 0.56E-04 0.22E-03 0.45E-07
0 7 10.119 115.863 0.56E-04 0.21E-03 0.45E-07
1 7 10.119 88.339 0.34E-03 0.49E-03 0.11E-06
1 7 10.119 48.592 0.33E-03 0.48E-03 0.11E-06
Optimization of the real space projectors (new method)
maximal supplied QI-value = 25.13
optimisation between [QCUT,QGAM] = [ 10.05, 20.36] = [ 28.30,116.06] Ry
Optimized for a Real-space Cutoff 1.30 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 8 10.053 115.676 0.49E-03 0.72E-03 0.18E-06
0 8 10.053 87.132 0.49E-03 0.71E-03 0.18E-06
1 7 10.053 4.429 0.32E-03 0.31E-03 0.18E-06
1 7 10.053 2.733 0.23E-03 0.19E-03 0.20E-06
Optimization of the real space projectors (new method)
maximal supplied QI-value = 24.76
optimisation between [QCUT,QGAM] = [ 10.15, 20.30] = [ 28.85,115.39] Ry
Optimized for a Real-space Cutoff 1.38 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 8 10.150 20.381 0.22E-03 0.32E-03 0.29E-06
0 8 10.150 15.268 0.23E-03 0.35E-03 0.30E-06
1 8 10.150 5.964 0.46E-03 0.53E-03 0.21E-06
1 8 10.150 5.382 0.38E-03 0.45E-03 0.19E-06
Optimization of the real space projectors (new method)
maximal supplied QI-value = 34.20
optimisation between [QCUT,QGAM] = [ 9.92, 20.18] = [ 27.55,114.04] Ry
Optimized for a Real-space Cutoff 1.26 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 8 9.919 19.460 0.50E-03 0.23E-03 0.29E-06
0 8 9.919 12.209 0.48E-03 0.23E-03 0.28E-06
1 7 9.919 4.655 0.17E-03 0.75E-03 0.30E-06
PAW_PBE Si 05Jan2001 :
energy of atom 1 EATOM= -103.0669
kinetic energy error for atom= 0.0012 (will be added to EATOM!!)
PAW_PBE C 08Apr2002 :
energy of atom 2 EATOM= -147.1560
kinetic energy error for atom= 0.0288 (will be added to EATOM!!)
PAW_PBE O 08Apr2002 :
energy of atom 3 EATOM= -432.3788
kinetic energy error for atom= 0.1156 (will be added to EATOM!!)
PAW_PBE H 15Jun2001 :
energy of atom 4 EATOM= -12.4884
kinetic energy error for atom= 0.0098 (will be added to EATOM!!)
POSCAR: Response tensors LKU21 VMC-1 Si69C60O87H
positions in direct lattice
No initial velocities read in
exchange correlation table for LEXCH = 8
RHO(1)= 0.500 N(1) = 2000
RHO(2)= 100.500 N(2) = 4000
--------------------------------------------------------------------------------------------------------
ion position nearest neighbor table
1 0.079 0.077 0.003- 130 1.69 78 1.93 77 1.96 70 2.01
2 0.246 0.123 0.403- 133 1.68 160 1.71 85 1.88 71 1.94
3 0.075 0.232 0.116- 137 1.68 130 1.68 132 1.69 112 1.95
4 0.227 0.247 0.236- 131 1.69 132 1.72 71 1.94 72 1.94
5 0.074 0.175 0.463- 341 1.49 135 1.68 133 1.68 73 1.96
6 0.217 0.084 0.840- 349 1.50 154 1.66 134 1.69 77 1.93
7 0.071 0.265 0.621- 135 1.66 136 1.68 194 1.70 142 1.70
8 0.222 0.240 0.736- 134 1.69 136 1.71 75 1.93 76 2.01
9 0.060 0.382 0.997- 137 1.69 147 1.71 83 1.88 79 1.89
10 0.216 0.403 0.378- 138 1.68 140 1.71 100 1.94 72 1.95
11 0.041 0.526 0.145- 198 1.67 84 1.89 79 1.92 81 1.94
12 0.221 0.555 0.262- 138 1.69 139 1.70 81 1.93 80 1.97
13 0.068 0.417 0.501- 140 1.67 141 1.69 143 1.69 142 1.71
14 0.237 0.373 0.898- 175 1.69 82 1.88 83 1.90 75 1.94
15 0.067 0.583 0.600- 204 1.65 153 1.66 146 1.68 143 1.69
16 0.223 0.646 0.684- 342 1.48 145 1.67 146 1.68 144 1.71
17 0.081 0.770 0.965- 348 1.47 157 1.67 149 1.71 156 1.73
18 0.223 0.714 0.365- 139 1.65 148 1.67 180 1.70 152 1.71
19 0.071 0.895 0.116- 151 1.67 210 1.73 149 1.73 70 1.96
20 0.198 0.794 0.206- 343 1.48 150 1.65 151 1.66 148 1.67
21 0.079 0.738 0.497- 153 1.68 152 1.73 88 1.97 86 1.99
22 0.241 0.742 0.851- 185 1.71 156 1.74 144 1.75 87 1.94
23 0.073 0.888 0.649- 155 1.68 215 1.70 74 1.86 88 1.96
24 0.230 0.923 0.750- 155 1.67 154 1.68 87 1.94 89 1.98
25 0.487 0.122 0.019- 158 1.67 98 1.87 97 1.93 91 1.94
26 0.596 0.096 0.384- 189 1.74 105 1.94 90 1.96 94 2.01
27 0.394 0.253 0.138- 165 1.65 131 1.70 91 1.92 93 1.96
28 0.584 0.249 0.238- 159 1.75 92 1.93 90 1.96 93 1.97
29 0.411 0.123 0.500- 162 1.68 160 1.71 95 1.93 94 1.98
30 0.610 0.131 0.862- 196 1.66 161 1.68 182 1.74 97 1.90
31 0.414 0.263 0.629- 162 1.67 171 1.68 164 1.75 76 1.97
32 0.589 0.261 0.721- 163 1.66 161 1.70 164 1.72 96 1.91
33 0.366 0.392 0.021- 165 1.66 167 1.67 175 1.67 103 1.86
34 0.557 0.379 0.395- 201 1.68 166 1.68 99 1.93 92 1.95
35 0.357 0.553 0.096- 170 1.65 167 1.66 176 1.68 80 1.97
36 0.380 0.403 0.503- 173 1.69 171 1.71 100 1.92 99 1.94
37 0.675 0.397 0.803- 344 1.48 172 1.65 206 1.66 163 1.68
38 0.366 0.570 0.591- 173 1.68 145 1.70 102 1.85 107 1.96
39 0.630 0.581 0.791- 345 1.48 174 1.65 172 1.69 101 1.95
40 0.387 0.692 0.971- 184 1.67 177 1.68 176 1.69 185 1.75
41 0.590 0.748 0.399- 168 1.67 212 1.72 179 1.74 104 1.95
42 0.605 0.912 0.273- 178 1.66 104 1.92 105 1.99 106 1.99
43 0.397 0.731 0.450- 350 1.49 180 1.73 179 1.78 107 1.91
44 0.582 0.704 0.919- 181 1.56 174 1.70 216 1.80 184 1.91
45 0.408 0.972 0.640- 108 1.88 95 1.93 89 1.96 109 1.99
46 0.593 0.013 0.723- 182 1.60 183 1.60 109 1.89
47 0.757 0.088 0.980- 195 1.70 196 1.73 111 1.96 110 2.02
48 0.908 0.094 0.368- 186 1.67 188 1.72 73 1.97 121 2.01
49 0.742 0.245 0.123- 159 1.75 115 1.96 111 1.96 113 2.01
50 0.912 0.247 0.257- 187 1.68 186 1.69 112 1.95 113 1.97
51 0.758 0.087 0.490- 192 1.65 188 1.67 189 1.67 190 1.69
52 0.916 0.088 0.870- 195 1.71 191 1.72 78 1.93 124 1.97
53 0.764 0.227 0.618- 202 1.67 192 1.69 114 1.93 96 1.94
54 0.928 0.239 0.749- 193 1.66 194 1.71 191 1.72 114 1.95
55 0.750 0.386 0.962- 206 1.69 116 1.87 120 1.93 115 1.94
56 0.923 0.390 0.376- 200 1.65 197 1.66 187 1.67 141 1.70
57 0.789 0.645 0.178- 346 1.48 169 1.64 207 1.69 199 1.71
58 0.915 0.532 0.261- 198 1.65 197 1.68 199 1.70 117 1.86
59 0.928 0.397 0.856- 193 1.69 147 1.70 120 1.91 118 2.04
60 0.764 0.634 0.648- 203 1.64 205 1.68 213 1.72 101 1.92
61 0.929 0.588 0.733- 205 1.68 204 1.70 119 1.97 118 2.05
62 0.745 0.736 0.020- 216 1.68 209 1.69 207 1.72 126 2.06
63 0.893 0.789 0.395- 347 1.47 208 1.72 211 1.76 86 1.96
64 0.749 0.906 0.110- 209 1.70 122 1.96 106 1.99 110 2.08
65 0.917 0.913 0.243- 208 1.74 210 1.77 122 1.93 121 1.98
66 0.739 0.772 0.515- 213 1.69 212 1.71 211 1.71 123 1.92
67 0.916 0.757 0.869- 214 1.69 157 1.70 119 1.99 126 2.05
68 0.743 0.945 0.615- 190 1.66 183 1.85 123 1.88 125 1.95
69 0.910 0.906 0.751- 214 1.68 215 1.69 124 1.96 125 1.99
70 0.106 0.992 0.074- 217 1.11 274 1.11 19 1.96 1 2.01
71 0.239 0.156 0.298- 275 1.11 218 1.11 2 1.94 4 1.94
72 0.187 0.329 0.300- 276 1.11 219 1.11 4 1.94 10 1.95
73 1.000 0.096 0.433- 220 1.11 277 1.11 5 1.96 48 1.97
74 0.067 0.975 0.587- 331 1.10 278 1.10 221 1.10 23 1.86
75 0.196 0.302 0.823- 222 1.11 279 1.11 8 1.93 14 1.94
76 0.331 0.262 0.706- 223 1.11 280 1.11 31 1.97 8 2.01
77 0.152 0.112 0.925- 281 1.11 224 1.11 6 1.93 1 1.96
78 0.990 0.051 0.944- 225 1.11 282 1.11 1 1.93 52 1.93
79 0.026 0.468 0.053- 226 1.11 283 1.11 9 1.89 11 1.92
80 0.308 0.578 0.195- 227 1.11 284 1.11 12 1.97 35 1.97
81 0.133 0.560 0.197- 285 1.11 228 1.11 12 1.93 11 1.94
82 0.281 0.453 0.841- 332 1.10 286 1.10 229 1.10 14 1.88
83 0.154 0.413 0.954- 287 1.11 230 1.11 9 1.88 14 1.90
84 0.001 0.622 0.116- 231 1.10 288 1.10 333 1.10 11 1.89
85 0.241 0.016 0.399- 334 1.10 289 1.10 232 1.10 2 1.88
86 0.985 0.790 0.459- 290 1.11 233 1.11 63 1.96 21 1.99
87 0.274 0.838 0.807- 291 1.11 234 1.11 22 1.94 24 1.94
88 0.104 0.800 0.587- 235 1.10 292 1.11 23 1.96 21 1.97
89 0.301 0.967 0.674- 293 1.11 236 1.11 45 1.96 24 1.98
90 0.626 0.169 0.305- 237 1.11 294 1.11 26 1.96 28 1.96
91 0.399 0.174 0.062- 295 1.11 238 1.11 27 1.92 25 1.94
92 0.581 0.346 0.291- 296 1.11 239 1.11 28 1.93 34 1.95
93 0.477 0.231 0.211- 240 1.11 297 1.11 27 1.96 28 1.97
94 0.500 0.139 0.432- 241 1.11 298 1.11 29 1.98 26 2.01
95 0.411 0.020 0.541- 299 1.11 242 1.11 29 1.93 45 1.93
96 0.656 0.231 0.640- 300 1.11 243 1.11 32 1.91 53 1.94
97 0.523 0.159 0.921- 244 1.11 301 1.11 30 1.90 25 1.93
98 0.456 0.021 0.002- 302 1.10 245 1.10 335 1.10 25 1.87
99 0.462 0.422 0.430- 303 1.11 246 1.11 34 1.93 36 1.94
100 0.297 0.364 0.442- 247 1.11 304 1.11 36 1.92 10 1.94
101 0.700 0.647 0.735- 248 1.11 305 1.11 60 1.92 39 1.95
102 0.451 0.555 0.652- 249 1.10 306 1.10 336 1.10 38 1.85
103 0.452 0.415 0.963- 250 1.10 307 1.10 337 1.10 33 1.86
104 0.633 0.837 0.348- 251 1.11 308 1.11 42 1.92 41 1.95
105 0.570 0.002 0.333- 252 1.11 309 1.11 26 1.94 42 1.99
106 0.673 0.942 0.186- 253 1.11 310 1.11 42 1.99 64 1.99
107 0.380 0.667 0.537- 311 1.11 254 1.11 43 1.91 38 1.96
108 0.444 0.871 0.633- 312 1.10 338 1.10 255 1.10 45 1.88
109 0.487 0.024 0.703- 313 1.11 256 1.11 46 1.89 45 1.99
110 0.749 0.979 0.015- 257 1.11 314 1.11 47 2.02 64 2.08
111 0.755 0.143 0.077- 315 1.11 258 1.11 49 1.96 47 1.96
112 0.988 0.212 0.183- 316 1.11 259 1.11 3 1.95 50 1.95
113 0.811 0.268 0.211- 260 1.11 317 1.11 50 1.97 49 2.01
114 0.834 0.204 0.699- 318 1.11 261 1.11 53 1.93 54 1.95
115 0.776 0.313 0.041- 262 1.11 319 1.11 55 1.94 49 1.96
116 0.703 0.468 0.013- 263 1.10 320 1.10 339 1.10 55 1.87
117 0.964 0.605 0.321- 264 1.10 340 1.10 321 1.10 58 1.86
118 0.953 0.482 0.779- 265 1.11 322 1.11 59 2.04 61 2.05
119 0.953 0.667 0.809- 323 1.11 266 1.11 61 1.97 67 1.99
120 0.840 0.426 0.913- 324 1.11 267 1.11 59 1.91 55 1.93
121 0.918 0.019 0.281- 268 1.11 325 1.11 65 1.98 48 2.01
122 0.836 0.881 0.175- 269 1.11 326 1.11 65 1.93 64 1.96
123 0.698 0.861 0.564- 327 1.11 270 1.11 68 1.88 66 1.92
124 0.895 0.009 0.792- 328 1.11 271 1.11 69 1.96 52 1.97
125 0.820 0.898 0.681- 329 1.11 272 1.11 68 1.95 69 1.99
126 0.817 0.733 0.927- 273 1.11 330 1.11 67 2.05 62 2.06
127 0.501 0.594 0.141- 355 1.10 356 1.10 354 1.11 170 1.43
128 0.738 0.488 0.599- 360 1.10 361 1.10 362 1.10 203 1.42
129 0.485 0.904 0.171- 366 1.10 368 1.10 367 1.11 178 1.42
130 0.075 0.153 0.062- 3 1.68 1 1.69
131 0.311 0.253 0.190- 4 1.69 27 1.70
132 0.155 0.237 0.169- 3 1.69 4 1.72
133 0.165 0.151 0.448- 5 1.68 2 1.68
134 0.213 0.150 0.769- 6 1.69 8 1.69
135 0.064 0.196 0.556- 7 1.66 5 1.68
136 0.154 0.257 0.669- 7 1.68 8 1.71
137 0.065 0.305 0.054- 3 1.68 9 1.69
138 0.230 0.481 0.324- 10 1.68 12 1.69
139 0.214 0.631 0.322- 18 1.65 12 1.70
140 0.144 0.415 0.443- 13 1.67 10 1.71
141 0.994 0.408 0.439- 13 1.69 56 1.70
142 0.068 0.347 0.568- 7 1.70 13 1.71
143 0.068 0.499 0.552- 15 1.69 13 1.69
144 0.223 0.677 0.777- 16 1.71 22 1.75
145 0.293 0.590 0.652- 16 1.67 38 1.70
146 0.143 0.601 0.655- 16 1.68 15 1.68
147 0.997 0.377 0.921- 59 1.70 9 1.71
148 0.203 0.781 0.300- 20 1.67 18 1.67
149 0.074 0.836 0.037- 17 1.71 19 1.73
150 0.285 0.814 0.178- 363 0.98 20 1.65
151 0.137 0.861 0.176- 20 1.66 19 1.67
152 0.156 0.727 0.435- 18 1.71 21 1.73
153 0.061 0.651 0.535- 15 1.66 21 1.68
154 0.206 0.996 0.806- 6 1.66 24 1.68
155 0.150 0.897 0.706- 24 1.67 23 1.68
156 0.160 0.764 0.905- 17 1.73 22 1.74
157 0.998 0.776 0.918- 17 1.67 67 1.70
158 0.559 0.119 0.081- 364 0.98 25 1.67
159 0.651 0.250 0.164- 28 1.75 49 1.75
160 0.329 0.141 0.451- 2 1.71 29 1.71
161 0.605 0.196 0.791- 30 1.68 32 1.70
162 0.417 0.186 0.572- 31 1.67 29 1.68
163 0.607 0.345 0.760- 32 1.66 37 1.68
164 0.498 0.261 0.682- 32 1.72 31 1.75
165 0.393 0.335 0.092- 27 1.65 33 1.66
166 0.611 0.457 0.405- 351 0.97 34 1.68
167 0.328 0.471 0.058- 35 1.66 33 1.67
168 0.608 0.676 0.341- 352 0.97 41 1.67
169 0.702 0.624 0.205- 353 0.98 57 1.64
170 0.447 0.538 0.118- 127 1.43 35 1.65
171 0.404 0.340 0.573- 31 1.68 36 1.71
172 0.657 0.490 0.806- 37 1.65 39 1.69
173 0.356 0.488 0.541- 38 1.68 36 1.69
174 0.608 0.622 0.874- 39 1.65 44 1.70
175 0.301 0.348 0.965- 33 1.67 14 1.69
176 0.354 0.621 0.028- 35 1.68 40 1.69
177 0.379 0.772 0.023- 365 0.97 40 1.68
178 0.526 0.876 0.236- 129 1.42 42 1.66
179 0.494 0.736 0.424- 41 1.74 43 1.78
180 0.314 0.721 0.397- 18 1.70 43 1.73
181 0.578 0.780 0.873- 44 1.56
182 0.610 0.050 0.805- 46 1.60 30 1.74
183 0.663 0.983 0.672- 46 1.60 68 1.85
184 0.479 0.681 0.949- 40 1.67 44 1.91
185 0.315 0.706 0.903- 22 1.71 40 1.75
186 0.899 0.174 0.317- 48 1.67 50 1.69
187 0.941 0.320 0.313- 56 1.67 50 1.68
188 0.830 0.083 0.427- 51 1.67 48 1.72
189 0.674 0.089 0.445- 51 1.67 26 1.74
190 0.762 0.012 0.551- 68 1.66 51 1.69
191 0.938 0.166 0.815- 52 1.72 54 1.72
192 0.769 0.162 0.547- 51 1.65 53 1.69
193 0.920 0.319 0.800- 54 1.66 59 1.69
194 0.000 0.252 0.685- 7 1.70 54 1.71
195 0.836 0.099 0.924- 47 1.70 52 1.71
196 0.685 0.116 0.918- 30 1.66 47 1.73
197 0.893 0.464 0.325- 56 1.66 58 1.68
198 0.978 0.489 0.206- 58 1.65 11 1.67
199 0.845 0.570 0.206- 58 1.70 57 1.71
200 0.848 0.366 0.427- 357 0.98 56 1.65
201 0.586 0.310 0.455- 358 0.97 34 1.68
202 0.791 0.310 0.580- 359 0.97 53 1.67
203 0.737 0.568 0.587- 128 1.42 60 1.64
204 0.995 0.586 0.661- 15 1.65 61 1.70
205 0.848 0.609 0.686- 61 1.68 60 1.68
206 0.691 0.361 0.889- 37 1.66 55 1.69
207 0.781 0.672 0.086- 57 1.69 62 1.72
208 0.909 0.856 0.324- 63 1.72 65 1.74
209 0.737 0.822 0.063- 62 1.69 64 1.70
210 0.994 0.903 0.178- 19 1.73 65 1.77
211 0.814 0.793 0.456- 66 1.71 63 1.76
212 0.658 0.742 0.470- 66 1.71 41 1.72
213 0.764 0.711 0.586- 66 1.69 60 1.72
214 0.901 0.834 0.813- 69 1.68 67 1.69
215 0.992 0.889 0.701- 69 1.69 23 1.70
216 0.658 0.708 0.988- 62 1.68 44 1.80
217 0.123 0.025 0.125- 70 1.11
218 0.188 0.121 0.283- 71 1.11
219 0.140 0.295 0.326- 72 1.11
220 0.979 0.074 0.489- 73 1.11
221 0.117 0.981 0.551- 74 1.10
222 0.158 0.264 0.856- 75 1.11
223 0.333 0.323 0.723- 76 1.11
224 0.114 0.157 0.901- 77 1.11
225 0.950 0.024 0.985- 78 1.11
226 0.030 0.513 0.009- 79 1.11
227 0.359 0.571 0.232- 80 1.11
228 0.160 0.591 0.149- 81 1.11
229 0.335 0.434 0.814- 82 1.10
230 0.133 0.461 0.918- 83 1.11
231 0.041 0.653 0.080- 84 1.10
232 0.239 0.992 0.457- 85 1.10
233 0.010 0.846 0.446- 86 1.11
234 0.302 0.866 0.856- 87 1.11
235 0.114 0.755 0.630- 88 1.10
236 0.280 0.941 0.620- 89 1.11
237 0.654 0.130 0.264- 90 1.11
238 0.367 0.125 0.086- 91 1.11
239 0.640 0.368 0.286- 92 1.11
240 0.471 0.168 0.212- 93 1.11
241 0.519 0.196 0.449- 94 1.11
242 0.465 0.998 0.517- 95 1.11
243 0.634 0.263 0.589- 96 1.11
244 0.474 0.157 0.882- 97 1.11
245 0.505 0.985 0.984- 98 1.10
246 0.429 0.436 0.378- 99 1.11
247 0.263 0.328 0.481- 100 1.11
248 0.739 0.672 0.779- 101 1.11
249 0.458 0.603 0.692- 102 1.10
250 0.496 0.441 1.000- 103 1.10
251 0.656 0.871 0.395- 104 1.11
252 0.535 0.970 0.375- 105 1.11
253 0.631 0.976 0.153- 106 1.11
254 0.424 0.691 0.577- 107 1.11
255 0.453 0.848 0.691- 108 1.10
256 0.486 0.085 0.685- 109 1.11
257 0.791 0.948 0.979- 110 1.11
258 0.810 0.124 0.101- 111 1.11
259 0.013 0.163 0.214- 112 1.11
260 0.775 0.255 0.261- 113 1.11
261 0.796 0.199 0.750- 114 1.11
262 0.817 0.273 0.014- 115 1.11
263 0.689 0.515 0.974- 116 1.10
264 0.930 0.617 0.373- 117 1.10
265 0.956 0.448 0.726- 118 1.11
266 0.005 0.694 0.784- 119 1.11
267 0.868 0.461 0.959- 120 1.11
268 0.876 0.046 0.242- 121 1.11
269 0.870 0.843 0.137- 122 1.11
270 0.659 0.835 0.606- 123 1.11
271 0.831 0.005 0.797- 124 1.11
272 0.780 0.867 0.719- 125 1.11
273 0.815 0.671 0.917- 126 1.11
274 0.162 0.972 0.051- 70 1.11
275 0.287 0.126 0.270- 71 1.11
276 0.156 0.366 0.259- 72 1.11
277 0.035 0.049 0.410- 73 1.11
278 0.060 0.027 0.621- 74 1.10
279 0.156 0.344 0.798- 75 1.11
280 0.358 0.233 0.755- 76 1.11
281 0.194 0.146 0.959- 77 1.11
282 0.015 0.002 0.913- 78 1.11
283 0.964 0.460 0.061- 79 1.11
284 0.301 0.641 0.192- 80 1.11
285 0.103 0.608 0.227- 81 1.11
286 0.242 0.472 0.795- 82 1.10
287 0.183 0.442 0.002- 83 1.11
288 0.988 0.659 0.165- 84 1.10
289 0.291 0.991 0.370- 85 1.10
290 0.960 0.797 0.517- 86 1.11
291 0.323 0.820 0.771- 87 1.11
292 0.163 0.821 0.575- 88 1.11
293 0.279 0.027 0.670- 89 1.11
294 0.676 0.200 0.331- 90 1.11
295 0.362 0.194 0.014- 91 1.11
296 0.548 0.384 0.252- 92 1.11
297 0.452 0.251 0.266- 93 1.11
298 0.471 0.150 0.376- 94 1.11
299 0.367 0.990 0.507- 95 1.11
300 0.637 0.172 0.628- 96 1.11
301 0.535 0.221 0.928- 97 1.11
302 0.431 0.995 0.054- 98 1.10
303 0.485 0.478 0.448- 99 1.11
304 0.327 0.323 0.405- 100 1.11
305 0.659 0.694 0.724- 101 1.11
306 0.444 0.503 0.687- 102 1.10
307 0.438 0.456 0.917- 103 1.10
308 0.684 0.807 0.326- 104 1.11
309 0.526 0.026 0.293- 105 1.11
310 0.710 0.987 0.212- 106 1.11
311 0.327 0.698 0.555- 107 1.11
312 0.404 0.834 0.603- 108 1.10
313 0.467 0.025 0.763- 109 1.11
314 0.693 0.960 0.992- 110 1.11
315 0.713 0.106 0.107- 111 1.11
316 0.949 0.184 0.142- 112 1.11
317 0.811 0.332 0.209- 113 1.11
318 0.850 0.143 0.688- 114 1.11
319 0.813 0.354 0.073- 115 1.11
320 0.739 0.490 0.059- 116 1.10
321 0.018 0.580 0.341- 117 1.10
322 0.014 0.495 0.791- 118 1.11
323 0.976 0.632 0.857- 119 1.11
324 0.814 0.470 0.876- 120 1.11
325 0.973 0.041 0.259- 121 1.11
326 0.804 0.841 0.211- 122 1.11
327 0.660 0.887 0.521- 123 1.11
328 0.903 0.041 0.738- 124 1.11
329 0.838 0.853 0.640- 125 1.11
330 0.777 0.756 0.883- 126 1.11
331 0.017 0.970 0.550- 74 1.10
332 0.294 0.503 0.877- 82 1.10
333 0.947 0.615 0.083- 84 1.10
334 0.190 0.996 0.369- 85 1.10
335 0.413 0.019 0.957- 98 1.10
336 0.503 0.549 0.618- 102 1.10
337 0.476 0.363 0.937- 103 1.10
338 0.499 0.869 0.603- 108 1.10
339 0.649 0.448 0.039- 116 1.10
340 0.976 0.660 0.292- 117 1.10
341 0.061 0.246 0.419- 5 1.49
342 0.231 0.718 0.641- 16 1.48
343 0.170 0.721 0.171- 20 1.48
344 0.745 0.387 0.756- 37 1.48
345 0.561 0.574 0.744- 39 1.48
346 0.822 0.711 0.219- 57 1.48
347 0.874 0.720 0.351- 63 1.47
348 0.086 0.696 0.003- 17 1.47
349 0.297 0.088 0.869- 6 1.50
350 0.388 0.812 0.476- 43 1.49
351 0.664 0.455 0.387- 166 0.97
352 0.586 0.627 0.355- 168 0.97
353 0.681 0.644 0.253- 169 0.98
354 0.488 0.616 0.199- 127 1.11
355 0.558 0.567 0.143- 127 1.10
356 0.503 0.642 0.101- 127 1.10
357 0.856 0.343 0.477- 200 0.98
358 0.625 0.276 0.434- 201 0.97
359 0.751 0.339 0.553- 202 0.97
360 0.723 0.461 0.544- 128 1.10
361 0.795 0.468 0.617- 128 1.10
362 0.695 0.471 0.642- 128 1.10
363 0.302 0.803 0.126- 150 0.98
364 0.583 0.167 0.097- 158 0.98
365 0.427 0.800 0.024- 177 0.97
366 0.428 0.880 0.172- 129 1.10
367 0.481 0.967 0.172- 129 1.11
368 0.514 0.888 0.117- 129 1.10
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------------------------------------------------------
Primitive cell
volume of cell : 5359.3750
direct lattice vectors reciprocal lattice vectors
17.500000000 0.000000000 0.000000000 0.057142857 0.000000000 0.000000000
0.000000000 17.500000000 0.000000000 0.000000000 0.057142857 0.000000000
0.000000000 0.000000000 17.500000000 0.000000000 0.000000000 0.057142857
length of vectors
17.500000000 17.500000000 17.500000000 0.057142857 0.057142857 0.057142857
position of ions in fractional coordinates (direct lattice)
0.079037080 0.077446360 0.002645780
0.245886770 0.123058510 0.403283630
0.074790230 0.232417830 0.116091760
0.226852760 0.247362770 0.236110880
0.073871220 0.174675750 0.462971900
0.216935070 0.084312830 0.840240820
0.071224690 0.264886140 0.620681870
0.222288290 0.240052410 0.736163770
0.059703850 0.382297070 0.996583110
0.215639830 0.402627760 0.377727910
0.040749470 0.526313630 0.145054150
0.221074080 0.554507320 0.262298830
0.068227890 0.416950220 0.500543930
0.237099840 0.372919710 0.897987000
0.066737520 0.582690110 0.600321530
0.222972370 0.645980730 0.684082700
0.081121890 0.770422800 0.964571330
0.222554440 0.714306300 0.365479010
0.070909580 0.894854010 0.116426060
0.197529090 0.793561310 0.205724290
0.078677870 0.737526200 0.496961760
0.240511940 0.741715080 0.850936950
0.073297440 0.888328020 0.648987830
0.230116320 0.922523240 0.750218950
0.486767870 0.122106270 0.018719560
0.595725620 0.096376570 0.384427260
0.393823920 0.252535910 0.138129400
0.584306300 0.248789040 0.238104020
0.410993280 0.123019480 0.500472800
0.609794920 0.131343910 0.862130440
0.413757120 0.262741050 0.629270980
0.588672280 0.260810910 0.720692790
0.365746920 0.391528960 0.020865550
0.557328510 0.378631730 0.394711170
0.356575540 0.553041620 0.095796900
0.380319060 0.403452320 0.502526060
0.674681140 0.396936690 0.803272640
0.365688750 0.570090590 0.590872200
0.630437170 0.581056130 0.791379250
0.387054250 0.691717280 0.971003220
0.589841960 0.748252390 0.399485210
0.605351600 0.912274080 0.272869130
0.396714450 0.730998190 0.450391260
0.582087990 0.703512600 0.919016680
0.407935890 0.972196980 0.640176920
0.592961130 0.013239510 0.722762620
0.757088140 0.088197760 0.979640110
0.908234220 0.093819920 0.368311190
0.742203810 0.244595490 0.122597970
0.912448360 0.247427470 0.256552690
0.758341040 0.087164080 0.489957460
0.916263230 0.087503110 0.869519240
0.764400480 0.227194150 0.617599590
0.927669250 0.238603000 0.749414000
0.749821620 0.386200770 0.961901790
0.923057070 0.389902020 0.375588690
0.788828950 0.644986490 0.177922540
0.915159800 0.532342270 0.261273840
0.928442300 0.397217670 0.855657090
0.764204660 0.634466920 0.647647750
0.929417620 0.587605710 0.733102380
0.744547570 0.735579890 0.019625980
0.893478530 0.789176250 0.394627710
0.749157570 0.906443600 0.109541570
0.917055260 0.913285130 0.243036290
0.738828560 0.771588810 0.515399110
0.916268520 0.756657300 0.869370680
0.743266650 0.944529440 0.614973840
0.910266830 0.906099140 0.750525200
0.106316470 0.992208640 0.074208710
0.238760160 0.156077940 0.297851720
0.186529020 0.329057610 0.299600340
0.999902390 0.095916580 0.433450230
0.066589430 0.974691030 0.587244640
0.196169030 0.302135080 0.823413550
0.330844900 0.261816330 0.705786580
0.152355340 0.112014550 0.925076570
0.989729890 0.051245030 0.943742660
0.026399380 0.467939020 0.053378980
0.308131800 0.577787020 0.194662580
0.132609380 0.560392550 0.197110200
0.281122350 0.452645990 0.840959710
0.153548570 0.413278980 0.953964670
0.000582590 0.621830930 0.115516710
0.241048820 0.016073670 0.399290730
0.985019010 0.789595940 0.458893560
0.274047110 0.837820590 0.806955650
0.104230780 0.800236230 0.586821180
0.301010180 0.967345300 0.674100790
0.626301150 0.169213820 0.305212840
0.398546580 0.174046690 0.061862120
0.581084520 0.345920290 0.290618100
0.476593700 0.231466060 0.210822470
0.499707950 0.138647080 0.431595510
0.410728800 0.020362040 0.540791120
0.655654470 0.231366650 0.639746560
0.522902720 0.158718380 0.921367160
0.456419290 0.020729750 0.002426950
0.462460510 0.421643940 0.430321510
0.297379690 0.364390390 0.441946970
0.700178980 0.647207260 0.735494100
0.450618290 0.555049480 0.652167820
0.451764310 0.414909180 0.963256510
0.632699290 0.836770690 0.347686800
0.569948520 0.001944080 0.332697200
0.673020510 0.942355520 0.186309040
0.380409960 0.667250880 0.537433190
0.443977590 0.871363480 0.633109050
0.487264120 0.023820400 0.702759230
0.749246010 0.978733640 0.015204000
0.754681720 0.143149920 0.077084260
0.988191360 0.212396730 0.182845170
0.811448500 0.268433410 0.211015750
0.834284050 0.203530870 0.699306670
0.775832970 0.313417930 0.041275270
0.702713900 0.467789130 0.012598830
0.963768860 0.605243330 0.321403860
0.952547680 0.482222960 0.779374540
0.952722790 0.667113740 0.809130620
0.840432020 0.426112040 0.913150690
0.918227730 0.019476770 0.281443260
0.836439050 0.880894600 0.174775800
0.698110790 0.861356130 0.564116280
0.894551880 0.008522390 0.792318090
0.820430890 0.898247060 0.681005390
0.817189350 0.733295880 0.926838090
0.501270330 0.594061210 0.141271540
0.737820890 0.488123250 0.598949340
0.485409540 0.904479850 0.171111580
0.075454110 0.153472450 0.061739030
0.311189250 0.252764230 0.189633950
0.155368360 0.237153630 0.169084470
0.165348910 0.150613490 0.448027520
0.213101540 0.149659520 0.769189960
0.064111710 0.195841380 0.555849220
0.153814930 0.257033410 0.668718760
0.064726390 0.304921760 0.054303830
0.230310380 0.481255150 0.324172280
0.214375340 0.630641970 0.322430510
0.144097060 0.414737970 0.443169640
0.994203640 0.407539060 0.439025760
0.067536130 0.346521410 0.568020670
0.067543750 0.499061520 0.551732240
0.223484840 0.676909790 0.776938800
0.293101970 0.589532890 0.652450990
0.143415580 0.601071350 0.655188830
0.997192320 0.377083890 0.921358240
0.203417140 0.781303490 0.300089540
0.073601870 0.835855820 0.036979720
0.285088610 0.814062580 0.178208020
0.137293540 0.860665230 0.176292380
0.155526860 0.727357250 0.435471680
0.060761900 0.651193900 0.534639070
0.206406860 0.996380680 0.806344780
0.149644220 0.896816500 0.706371450
0.160117800 0.763767490 0.905093930
0.998466230 0.776079870 0.917513440
0.558794460 0.119225360 0.081144830
0.651115310 0.249850660 0.163742270
0.328750860 0.141247850 0.451338710
0.605127750 0.195888010 0.790958620
0.417121460 0.186335910 0.572442390
0.606653930 0.345184750 0.760121630
0.498446680 0.261346200 0.682095710
0.392724500 0.334510650 0.091543580
0.611426280 0.457056470 0.405287130
0.327832490 0.470757120 0.058189430
0.607903380 0.675593840 0.340522500
0.701595140 0.624168010 0.205276730
0.447125770 0.537554060 0.117732090
0.403725060 0.340217860 0.573327200
0.656935420 0.489512260 0.806427150
0.355553140 0.488475070 0.540941050
0.608145990 0.621959750 0.873563320
0.301447150 0.347533330 0.965495590
0.353938160 0.621398520 0.028075960
0.379196600 0.771510830 0.023397880
0.525895820 0.876301410 0.235539330
0.494496330 0.735723200 0.423613100
0.314401970 0.721025590 0.396635010
0.577550020 0.779551540 0.873022440
0.610234950 0.050025410 0.804928760
0.663060800 0.983067500 0.671905310
0.479496140 0.680926970 0.948972160
0.314543600 0.705664990 0.903232730
0.899043800 0.173740840 0.317452730
0.940796540 0.320378740 0.312559190
0.830176260 0.083020830 0.426953100
0.673871420 0.089192980 0.445070320
0.761545130 0.012389360 0.551180140
0.938165800 0.166134800 0.815060110
0.768668990 0.161604640 0.546977920
0.920039490 0.318715590 0.799624400
0.000002940 0.251834740 0.685157250
0.835933470 0.099409820 0.924091230
0.684781520 0.116474870 0.918128570
0.893279630 0.463991890 0.324630040
0.977793280 0.489059290 0.205950810
0.845462460 0.570412810 0.205749110
0.847904140 0.365859490 0.426905760
0.586352870 0.310278620 0.455146840
0.790938400 0.310283570 0.579557490
0.737181220 0.568305260 0.586762120
0.994719740 0.585893800 0.661363900
0.848315960 0.608933770 0.686453730
0.690948670 0.361024400 0.889265910
0.780759790 0.672479020 0.085852930
0.909033050 0.855982450 0.323862320
0.737276820 0.821752000 0.063235660
0.994273550 0.902625770 0.178434280
0.813980060 0.792577310 0.456390230
0.657699810 0.741729540 0.470159850
0.764429290 0.711095470 0.586310840
0.900736800 0.834133380 0.813372790
0.991570400 0.888781080 0.701458690
0.658224200 0.708008260 0.987968930
0.122732550 0.025462840 0.125457290
0.188272490 0.120742780 0.282603140
0.140373800 0.294759870 0.326487140
0.979236910 0.073505430 0.488761450
0.117426410 0.980926930 0.550760330
0.157718570 0.263690040 0.855581800
0.332631070 0.322836030 0.723126990
0.114209970 0.156511320 0.900708000
0.950115390 0.023553560 0.984579400
0.030456830 0.513104110 0.009124580
0.358897300 0.571123270 0.231945890
0.160276360 0.590937340 0.148853320
0.334786370 0.434128390 0.813760300
0.133358870 0.461378230 0.917933430
0.041255020 0.653028750 0.079537710
0.238651870 0.992219260 0.457459550
0.010093840 0.846421940 0.446052720
0.301893890 0.866255860 0.856281290
0.114051010 0.755352950 0.630041390
0.280153670 0.940662560 0.620244150
0.654148480 0.129944000 0.264035060
0.366857780 0.124732270 0.085836620
0.640170450 0.368497700 0.286249800
0.470824830 0.168338830 0.212429570
0.518760220 0.196381410 0.449362590
0.465052030 0.997610200 0.517389430
0.633749750 0.262822240 0.589182260
0.473796240 0.157243140 0.881507510
0.504537690 0.984567070 0.984122420
0.429051280 0.435592210 0.378335710
0.263149230 0.328188040 0.481015870
0.738667580 0.671735450 0.779218020
0.458352800 0.603155920 0.691724090
0.495746280 0.440935010 0.999754060
0.655928330 0.871193600 0.395258840
0.534840940 0.970230490 0.374966980
0.630693110 0.975955430 0.153023850
0.424442960 0.690808860 0.576674480
0.452581250 0.847759930 0.690903800
0.486231480 0.084981590 0.685348150
0.790795360 0.947981280 0.978649540
0.810322120 0.123659620 0.100742760
0.012935260 0.163097040 0.214154930
0.774703150 0.255044650 0.260785330
0.796210010 0.198895250 0.749794170
0.816844150 0.273256740 0.014335000
0.688635430 0.515348350 0.974001800
0.930111010 0.617388450 0.372855630
0.955571400 0.448052450 0.726176310
0.004646110 0.693924190 0.784465230
0.867855150 0.460648020 0.958755800
0.876073940 0.045729880 0.241982300
0.869875720 0.842830440 0.137022620
0.658852080 0.834624350 0.605940360
0.831378890 0.004719300 0.796651730
0.779953330 0.866959630 0.718786840
0.815422980 0.670650790 0.916971260
0.161720750 0.971595060 0.051207870
0.286720940 0.125648070 0.269989280
0.155541060 0.366153170 0.258834420
0.035195440 0.048757790 0.410278850
0.060459180 0.027235230 0.621228200
0.155925040 0.344475960 0.798411530
0.358494040 0.232842110 0.755014240
0.194165350 0.145509560 0.958989970
0.015226870 0.001929300 0.912772570
0.963940730 0.459973300 0.060667300
0.300966280 0.640732770 0.191726790
0.102657450 0.607661500 0.226955340
0.242495200 0.471701310 0.795095900
0.182940760 0.441675310 0.002326350
0.988322690 0.658675790 0.164938730
0.291119100 0.991372970 0.370329460
0.960034020 0.797181180 0.516666930
0.323036360 0.820217230 0.770888380
0.162915790 0.821167180 0.575181080
0.278868410 0.026519820 0.670229310
0.675675560 0.199961340 0.330558820
0.362237860 0.194481550 0.014310860
0.548224880 0.383908260 0.252114130
0.452458370 0.250574120 0.266310050
0.470596190 0.150010000 0.376316380
0.366532200 0.989755020 0.507459600
0.636889610 0.171973470 0.627835480
0.534872560 0.220691240 0.927560100
0.430837910 0.995159330 0.053755260
0.485013690 0.477907460 0.448444620
0.327295930 0.322574200 0.404922580
0.658949660 0.693890030 0.723668120
0.444444410 0.502838270 0.686609520
0.438370210 0.455805550 0.917485200
0.683835310 0.806506650 0.325618140
0.526099370 0.025915210 0.293305440
0.709763700 0.987345110 0.212094680
0.327419450 0.697526370 0.554986170
0.403800770 0.833991580 0.602634800
0.467430350 0.024706470 0.762809480
0.693390560 0.959658590 0.991896410
0.713028540 0.105953840 0.106839850
0.949218700 0.184186030 0.141521610
0.810503140 0.331812470 0.208527180
0.849872210 0.143279640 0.687620990
0.813281940 0.353798520 0.072932120
0.739044030 0.490364100 0.058716150
0.018181760 0.580127070 0.340606420
0.013653040 0.495093680 0.791069690
0.976233230 0.632317100 0.856651110
0.813926160 0.470199190 0.876107870
0.973281460 0.041384500 0.258760810
0.803575290 0.840512360 0.210956860
0.660141950 0.887423130 0.520917700
0.902852320 0.040785520 0.738388710
0.838154940 0.852996010 0.640274350
0.776984740 0.755933040 0.883246440
0.016510570 0.969696790 0.549586160
0.294206520 0.502633980 0.876816130
0.947364170 0.615118030 0.082751200
0.189874410 0.996303510 0.368571460
0.412768580 0.018878240 0.957056570
0.503011320 0.549402130 0.617825450
0.475803150 0.363288130 0.936575820
0.499171060 0.868693330 0.603001420
0.649003950 0.448192400 0.038970900
0.975822470 0.659505430 0.292404660
0.060512950 0.245915650 0.418632820
0.230576660 0.718024840 0.640543540
0.170423430 0.721090110 0.171339950
0.744543260 0.387082240 0.756309950
0.560803140 0.574032770 0.744409760
0.821749930 0.711147990 0.219387650
0.873788530 0.720039980 0.351056720
0.086406770 0.695813550 0.002646880
0.297351510 0.088469370 0.869194850
0.388169850 0.811573250 0.475914630
0.663723100 0.454969740 0.386635340
0.585977520 0.626630440 0.355282500
0.680509240 0.643772930 0.253282640
0.487737230 0.616148120 0.198857770
0.558103270 0.567473690 0.142980150
0.503305170 0.642272660 0.100853990
0.855684440 0.343449970 0.477367900
0.624807480 0.276218880 0.433931820
0.751351530 0.338752170 0.552818090
0.722857400 0.461078510 0.544106590
0.794522470 0.467565220 0.617041550
0.695128000 0.471042730 0.642044130
0.301615700 0.802756780 0.125997660
0.582905100 0.167074630 0.096933090
0.426761880 0.800291470 0.023512260
0.427530810 0.879959210 0.172267440
0.480576860 0.967456280 0.171859610
0.514137920 0.887717060 0.117495800
ion indices of the primitive-cell ions
primitive index ion index
1 1
2 2
3 3
4 4
5 5
6 6
7 7
8 8
9 9
10 10
11 11
12 12
13 13
14 14
15 15
16 16
17 17
18 18
19 19
20 20
21 21
22 22
23 23
24 24
25 25
26 26
27 27
28 28
29 29
30 30
31 31
32 32
33 33
34 34
35 35
36 36
37 37
38 38
39 39
40 40
41 41
42 42
43 43
44 44
45 45
46 46
47 47
48 48
49 49
50 50
51 51
52 52
53 53
54 54
55 55
56 56
57 57
58 58
59 59
60 60
61 61
62 62
63 63
64 64
65 65
66 66
67 67
68 68
69 69
70 70
71 71
72 72
73 73
74 74
75 75
76 76
77 77
78 78
79 79
80 80
81 81
82 82
83 83
84 84
85 85
86 86
87 87
88 88
89 89
90 90
91 91
92 92
93 93
94 94
95 95
96 96
97 97
98 98
99 99
100 100
101 101
102 102
103 103
104 104
105 105
106 106
107 107
108 108
109 109
110 110
111 111
112 112
113 113
114 114
115 115
116 116
117 117
118 118
119 119
120 120
121 121
122 122
123 123
124 124
125 125
126 126
127 127
128 128
129 129
130 130
131 131
132 132
133 133
134 134
135 135
136 136
137 137
138 138
139 139
140 140
141 141
142 142
143 143
144 144
145 145
146 146
147 147
148 148
149 149
150 150
151 151
152 152
153 153
154 154
155 155
156 156
157 157
158 158
159 159
160 160
161 161
162 162
163 163
164 164
165 165
166 166
167 167
168 168
169 169
170 170
171 171
172 172
173 173
174 174
175 175
176 176
177 177
178 178
179 179
180 180
181 181
182 182
183 183
184 184
185 185
186 186
187 187
188 188
189 189
190 190
191 191
192 192
193 193
194 194
195 195
196 196
197 197
198 198
199 199
200 200
201 201
202 202
203 203
204 204
205 205
206 206
207 207
208 208
209 209
210 210
211 211
212 212
213 213
214 214
215 215
216 216
217 217
218 218
219 219
220 220
221 221
222 222
223 223
224 224
225 225
226 226
227 227
228 228
229 229
230 230
231 231
232 232
233 233
234 234
235 235
236 236
237 237
238 238
239 239
240 240
241 241
242 242
243 243
244 244
245 245
246 246
247 247
248 248
249 249
250 250
251 251
252 252
253 253
254 254
255 255
256 256
257 257
258 258
259 259
260 260
261 261
262 262
263 263
264 264
265 265
266 266
267 267
268 268
269 269
270 270
271 271
272 272
273 273
274 274
275 275
276 276
277 277
278 278
279 279
280 280
281 281
282 282
283 283
284 284
285 285
286 286
287 287
288 288
289 289
290 290
291 291
292 292
293 293
294 294
295 295
296 296
297 297
298 298
299 299
300 300
301 301
302 302
303 303
304 304
305 305
306 306
307 307
308 308
309 309
310 310
311 311
312 312
313 313
314 314
315 315
316 316
317 317
318 318
319 319
320 320
321 321
322 322
323 323
324 324
325 325
326 326
327 327
328 328
329 329
330 330
331 331
332 332
333 333
334 334
335 335
336 336
337 337
338 338
339 339
340 340
341 341
342 342
343 343
344 344
345 345
346 346
347 347
348 348
349 349
350 350
351 351
352 352
353 353
354 354
355 355
356 356
357 357
358 358
359 359
360 360
361 361
362 362
363 363
364 364
365 365
366 366
367 367
368 368
----------------------------------------------------------------------------------------
KPOINTS: Automatic mesh
Automatic generation of k-mesh.
Grid dimensions read from file:
generate k-points for: 2 2 2
Generating k-lattice:
Cartesian coordinates Fractional coordinates (reciprocal lattice)
0.028571429 0.000000000 0.000000000 0.500000000 0.000000000 0.000000000
0.000000000 0.028571429 0.000000000 0.000000000 0.500000000 0.000000000
0.000000000 0.000000000 0.028571429 0.000000000 0.000000000 0.500000000
Length of vectors
0.028571429 0.028571429 0.028571429
Shift w.r.t. Gamma in fractional coordinates (k-lattice)
0.000000000 0.000000000 0.000000000
TETIRR: Found 24 inequivalent tetrahedra from 48
Subroutine IBZKPT returns following result:
===========================================
Found 8 irreducible k-points:
Following reciprocal coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.500000 0.000000 0.000000 1.000000
0.000000 0.500000 0.000000 1.000000
0.000000 0.000000 0.500000 1.000000
0.500000 0.500000 0.000000 1.000000
0.000000 0.500000 0.500000 1.000000
0.500000 0.000000 0.500000 1.000000
0.500000 0.500000 0.500000 1.000000
Following cartesian coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.028571 0.000000 0.000000 1.000000
0.000000 0.028571 0.000000 1.000000
0.000000 0.000000 0.028571 1.000000
0.028571 0.028571 0.000000 1.000000
0.000000 0.028571 0.028571 1.000000
0.028571 0.000000 0.028571 1.000000
0.028571 0.028571 0.028571 1.000000
Subroutine IBZKPT_HF returns following result:
==============================================
Found 8 k-points in 1st BZ
the following 8 k-points will be used (e.g. in the exchange kernel)
Following reciprocal coordinates: # in IRBZ
0.000000 0.000000 0.000000 0.12500000 1 t-inv F
0.500000 0.000000 0.000000 0.12500000 2 t-inv F
0.000000 0.500000 0.000000 0.12500000 3 t-inv F
0.000000 0.000000 0.500000 0.12500000 4 t-inv F
0.500000 0.500000 0.000000 0.12500000 5 t-inv F
0.000000 0.500000 0.500000 0.12500000 6 t-inv F
0.500000 0.000000 0.500000 0.12500000 7 t-inv F
0.500000 0.500000 0.500000 0.12500000 8 t-inv F
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 8 k-points in BZ NKDIM = 8 number of bands NBANDS= 780
number of dos NEDOS = 301 number of ions NIONS = 368
non local maximal LDIM = 4 non local SUM 2l+1 LMDIM = 8
total plane-waves NPLWV = 729000
max r-space proj IRMAX = 1549 max aug-charges IRDMAX= 4747
dimension x,y,z NGX = 90 NGY = 90 NGZ = 90
dimension x,y,z NGXF= 180 NGYF= 180 NGZF= 180
support grid NGXF= 180 NGYF= 180 NGZF= 180
ions per type = 69 60 87 152
NGX,Y,Z is equivalent to a cutoff of 8.55, 8.55, 8.55 a.u.
NGXF,Y,Z is equivalent to a cutoff of 17.10, 17.10, 17.10 a.u.
SYSTEM = Response tensors LKU21 VMC-1 Si69C60O87H
POSCAR = Response tensors LKU21 VMC-1 Si69C60O87H
Startparameter for this run:
NWRITE = 1 write-flag & timer
PREC = normal normal or accurate (medium, high low for compatibility)
ISTART = 0 job : 0-new 1-cont 2-samecut
ICHARG = 2 charge: 1-file 2-atom 10-const
ISPIN = 1 spin polarized calculation?
LNONCOLLINEAR = F non collinear calculations
LSORBIT = F spin-orbit coupling
INIWAV = 1 electr: 0-lowe 1-rand 2-diag
LASPH = F aspherical Exc in radial PAW
Electronic Relaxation 1
ENCUT = 400.0 eV 29.40 Ry 5.42 a.u. 28.54 28.54 28.54*2*pi/ulx,y,z
ENINI = 400.0 initial cutoff
ENAUG = 644.9 eV augmentation charge cutoff
NELM = 200; NELMIN= 6; NELMDL= -5 # of ELM steps
EDIFF = 0.1E-04 stopping-criterion for ELM
LREAL = T real-space projection
NLSPLINE = F spline interpolate recip. space projectors
LCOMPAT= F compatible to vasp.4.4
GGA_COMPAT = T GGA compatible to vasp.4.4-vasp.4.6
LMAXPAW = -100 max onsite density
LMAXMIX = 2 max onsite mixed and CHGCAR
VOSKOWN= 1 Vosko Wilk Nusair interpolation
ROPT = -0.00050 -0.00050 -0.00050 -0.00050
Ionic relaxation
EDIFFG = 0.1E-03 stopping-criterion for IOM
NSW = 1 number of steps for IOM
NBLOCK = 1; KBLOCK = 1 inner block; outer block
IBRION = 8 ionic relax: 0-MD 1-quasi-New 2-CG
NFREE = 0 steps in history (QN), initial steepest desc. (CG)
ISIF = 2 stress and relaxation
IWAVPR = 11 prediction: 0-non 1-charg 2-wave 3-comb
ISYM = 2 0-nonsym 1-usesym 2-fastsym
LCORR = T Harris-Foulkes like correction to forces
POTIM = 0.5000 time-step for ionic-motion
TEIN = 0.0 initial temperature
TEBEG = 0.0; TEEND = 0.0 temperature during run
SMASS = -3.00 Nose mass-parameter (am)
estimated Nose-frequenzy (Omega) = 0.10E-29 period in steps = 0.13E+47 mass= -0.700E-26a.u.
SCALEE = 1.0000 scale energy and forces
NPACO = 256; APACO = 16.0 distance and # of slots for P.C.
PSTRESS= 0.0 pullay stress
Mass of Ions in am
POMASS = 28.09 12.01 16.00 1.00
Ionic Valenz
ZVAL = 4.00 4.00 6.00 1.00
Atomic Wigner-Seitz radii
RWIGS = 1.11 0.77 0.73 0.32
virtual crystal weights
VCA = 1.00 1.00 1.00 1.00
NELECT = 1190.0000 total number of electrons
NUPDOWN= -1.0000 fix difference up-down
DOS related values:
EMIN = 10.00; EMAX =-10.00 energy-range for DOS
EFERMI = 0.00
ISMEAR = -5; SIGMA = 0.20 broadening in eV -4-tet -1-fermi 0-gaus
Electronic relaxation 2 (details)
IALGO = 38 algorithm
LDIAG = T sub-space diagonalisation (order eigenvalues)
LSUBROT= F optimize rotation matrix (better conditioning)
TURBO = 0 0=normal 1=particle mesh
IRESTART = 0 0=no restart 2=restart with 2 vectors
NREBOOT = 0 no. of reboots
NMIN = 0 reboot dimension
EREF = 0.00 reference energy to select bands
IMIX = 4 mixing-type and parameters
AMIX = 0.40; BMIX = 1.00
AMIX_MAG = 1.60; BMIX_MAG = 1.00
AMIN = 0.10
WC = 100.; INIMIX= 1; MIXPRE= 1; MAXMIX= -45
Intra band minimization:
WEIMIN = 0.0010 energy-eigenvalue tresh-hold
EBREAK = 0.32E-08 absolut break condition
DEPER = 0.30 relativ break condition
TIME = 0.40 timestep for ELM
volume/ion in A,a.u. = 14.56 98.28
Fermi-wavevector in a.u.,A,eV,Ry = 0.991332 1.873346 13.370976 0.982739
Thomas-Fermi vector in A = 2.123066
Write flags
LWAVE = F write WAVECAR
LDOWNSAMPLE = F k-point downsampling of WAVECAR
LCHARG = F write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 0 0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes
Dipole corrections
LMONO = F monopole corrections only (constant potential shift)
LDIPOL = F correct potential (dipole corrections)
IDIPOL = 0 1-x, 2-y, 3-z, 4-all directions
EPSILON= 1.0000000 bulk dielectric constant
Exchange correlation treatment:
GGA = -- GGA type
LEXCH = 8 internal setting for exchange type
VOSKOWN= 1 Vosko Wilk Nusair interpolation
LHFCALC = F Hartree Fock is set to
LHFONE = F Hartree Fock one center treatment
AEXX = 0.0000 exact exchange contribution
Linear response parameters
LEPSILON= T determine dielectric tensor
LRPA = F only Hartree local field effects (RPA)
LNABLA = F use nabla operator in PAW spheres
LVEL = F velocity operator in full k-point grid
LINTERFAST= F fast interpolation
KINTER = 0 interpolate to denser k-point grid
CSHIFT =0.1000 complex shift for real part using Kramers Kronig
OMEGAMAX= -1.0 maximum frequency
DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
RTIME = -0.100 relaxation time in fs
(WPLASMAI= 0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
DFIELD = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
Orbital magnetization related:
ORBITALMAG= F switch on orbital magnetization
LCHIMAG = F perturbation theory with respect to B field
DQ = 0.001000 dq finite difference perturbation B field
LLRAUG = F two centre corrections for induced B field
--------------------------------------------------------------------------------------------------------
linear response using symmetry
charge density and potential will be updated during run
non-spin polarized calculation
Variant of blocked Davidson
Davidson routine will perform the subspace rotation
perform sub-space diagonalisation
after iterative eigenvector-optimisation
modified Broyden-mixing scheme, WC = 100.0
initial mixing is a Kerker type mixing with AMIX = 0.4000 and BMIX = 1.0000
Hartree-type preconditioning will be used
using additional bands 185
real space projection scheme for non local part
use partial core corrections
calculate Harris-corrections to forces
(improved forces if not selfconsistent)
use gradient corrections
use of overlap-Matrix (Vanderbilt PP)
Fermi weights with tetrahedron method with Bloechl corrections
--------------------------------------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5359.38
direct lattice vectors reciprocal lattice vectors
17.500000000 0.000000000 0.000000000 0.057142857 0.000000000 0.000000000
0.000000000 17.500000000 0.000000000 0.000000000 0.057142857 0.000000000
0.000000000 0.000000000 17.500000000 0.000000000 0.000000000 0.057142857
length of vectors
17.500000000 17.500000000 17.500000000 0.057142857 0.057142857 0.057142857
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.00000000 0.00000000 0.00000000 0.125
0.02857143 0.00000000 0.00000000 0.125
0.00000000 0.02857143 0.00000000 0.125
0.00000000 0.00000000 0.02857143 0.125
0.02857143 0.02857143 0.00000000 0.125
0.00000000 0.02857143 0.02857143 0.125
0.02857143 0.00000000 0.02857143 0.125
0.02857143 0.02857143 0.02857143 0.125
k-points in reciprocal lattice and weights: Automatic mesh
0.00000000 0.00000000 0.00000000 0.125
0.50000000 0.00000000 0.00000000 0.125
0.00000000 0.50000000 0.00000000 0.125
0.00000000 0.00000000 0.50000000 0.125
0.50000000 0.50000000 0.00000000 0.125
0.00000000 0.50000000 0.50000000 0.125
0.50000000 0.00000000 0.50000000 0.125
0.50000000 0.50000000 0.50000000 0.125
position of ions in fractional coordinates (direct lattice)
0.07903708 0.07744636 0.00264578
0.24588677 0.12305851 0.40328363
0.07479023 0.23241783 0.11609176
0.22685276 0.24736277 0.23611088
0.07387122 0.17467575 0.46297190
0.21693507 0.08431283 0.84024082
0.07122469 0.26488614 0.62068187
0.22228829 0.24005241 0.73616377
0.05970385 0.38229707 0.99658311
0.21563983 0.40262776 0.37772791
0.04074947 0.52631363 0.14505415
0.22107408 0.55450732 0.26229883
0.06822789 0.41695022 0.50054393
0.23709984 0.37291971 0.89798700
0.06673752 0.58269011 0.60032153
0.22297237 0.64598073 0.68408270
0.08112189 0.77042280 0.96457133
0.22255444 0.71430630 0.36547901
0.07090958 0.89485401 0.11642606
0.19752909 0.79356131 0.20572429
0.07867787 0.73752620 0.49696176
0.24051194 0.74171508 0.85093695
0.07329744 0.88832802 0.64898783
0.23011632 0.92252324 0.75021895
0.48676787 0.12210627 0.01871956
0.59572562 0.09637657 0.38442726
0.39382392 0.25253591 0.13812940
0.58430630 0.24878904 0.23810402
0.41099328 0.12301948 0.50047280
0.60979492 0.13134391 0.86213044
0.41375712 0.26274105 0.62927098
0.58867228 0.26081091 0.72069279
0.36574692 0.39152896 0.02086555
0.55732851 0.37863173 0.39471117
0.35657554 0.55304162 0.09579690
0.38031906 0.40345232 0.50252606
0.67468114 0.39693669 0.80327264
0.36568875 0.57009059 0.59087220
0.63043717 0.58105613 0.79137925
0.38705425 0.69171728 0.97100322
0.58984196 0.74825239 0.39948521
0.60535160 0.91227408 0.27286913
0.39671445 0.73099819 0.45039126
0.58208799 0.70351260 0.91901668
0.40793589 0.97219698 0.64017692
0.59296113 0.01323951 0.72276262
0.75708814 0.08819776 0.97964011
0.90823422 0.09381992 0.36831119
0.74220381 0.24459549 0.12259797
0.91244836 0.24742747 0.25655269
0.75834104 0.08716408 0.48995746
0.91626323 0.08750311 0.86951924
0.76440048 0.22719415 0.61759959
0.92766925 0.23860300 0.74941400
0.74982162 0.38620077 0.96190179
0.92305707 0.38990202 0.37558869
0.78882895 0.64498649 0.17792254
0.91515980 0.53234227 0.26127384
0.92844230 0.39721767 0.85565709
0.76420466 0.63446692 0.64764775
0.92941762 0.58760571 0.73310238
0.74454757 0.73557989 0.01962598
0.89347853 0.78917625 0.39462771
0.74915757 0.90644360 0.10954157
0.91705526 0.91328513 0.24303629
0.73882856 0.77158881 0.51539911
0.91626852 0.75665730 0.86937068
0.74326665 0.94452944 0.61497384
0.91026683 0.90609914 0.75052520
0.10631647 0.99220864 0.07420871
0.23876016 0.15607794 0.29785172
0.18652902 0.32905761 0.29960034
0.99990239 0.09591658 0.43345023
0.06658943 0.97469103 0.58724464
0.19616903 0.30213508 0.82341355
0.33084490 0.26181633 0.70578658
0.15235534 0.11201455 0.92507657
0.98972989 0.05124503 0.94374266
0.02639938 0.46793902 0.05337898
0.30813180 0.57778702 0.19466258
0.13260938 0.56039255 0.19711020
0.28112235 0.45264599 0.84095971
0.15354857 0.41327898 0.95396467
0.00058259 0.62183093 0.11551671
0.24104882 0.01607367 0.39929073
0.98501901 0.78959594 0.45889356
0.27404711 0.83782059 0.80695565
0.10423078 0.80023623 0.58682118
0.30101018 0.96734530 0.67410079
0.62630115 0.16921382 0.30521284
0.39854658 0.17404669 0.06186212
0.58108452 0.34592029 0.29061810
0.47659370 0.23146606 0.21082247
0.49970795 0.13864708 0.43159551
0.41072880 0.02036204 0.54079112
0.65565447 0.23136665 0.63974656
0.52290272 0.15871838 0.92136716
0.45641929 0.02072975 0.00242695
0.46246051 0.42164394 0.43032151
0.29737969 0.36439039 0.44194697
0.70017898 0.64720726 0.73549410
0.45061829 0.55504948 0.65216782
0.45176431 0.41490918 0.96325651
0.63269929 0.83677069 0.34768680
0.56994852 0.00194408 0.33269720
0.67302051 0.94235552 0.18630904
0.38040996 0.66725088 0.53743319
0.44397759 0.87136348 0.63310905
0.48726412 0.02382040 0.70275923
0.74924601 0.97873364 0.01520400
0.75468172 0.14314992 0.07708426
0.98819136 0.21239673 0.18284517
0.81144850 0.26843341 0.21101575
0.83428405 0.20353087 0.69930667
0.77583297 0.31341793 0.04127527
0.70271390 0.46778913 0.01259883
0.96376886 0.60524333 0.32140386
0.95254768 0.48222296 0.77937454
0.95272279 0.66711374 0.80913062
0.84043202 0.42611204 0.91315069
0.91822773 0.01947677 0.28144326
0.83643905 0.88089460 0.17477580
0.69811079 0.86135613 0.56411628
0.89455188 0.00852239 0.79231809
0.82043089 0.89824706 0.68100539
0.81718935 0.73329588 0.92683809
0.50127033 0.59406121 0.14127154
0.73782089 0.48812325 0.59894934
0.48540954 0.90447985 0.17111158
0.07545411 0.15347245 0.06173903
0.31118925 0.25276423 0.18963395
0.15536836 0.23715363 0.16908447
0.16534891 0.15061349 0.44802752
0.21310154 0.14965952 0.76918996
0.06411171 0.19584138 0.55584922
0.15381493 0.25703341 0.66871876
0.06472639 0.30492176 0.05430383
0.23031038 0.48125515 0.32417228
0.21437534 0.63064197 0.32243051
0.14409706 0.41473797 0.44316964
0.99420364 0.40753906 0.43902576
0.06753613 0.34652141 0.56802067
0.06754375 0.49906152 0.55173224
0.22348484 0.67690979 0.77693880
0.29310197 0.58953289 0.65245099
0.14341558 0.60107135 0.65518883
0.99719232 0.37708389 0.92135824
0.20341714 0.78130349 0.30008954
0.07360187 0.83585582 0.03697972
0.28508861 0.81406258 0.17820802
0.13729354 0.86066523 0.17629238
0.15552686 0.72735725 0.43547168
0.06076190 0.65119390 0.53463907
0.20640686 0.99638068 0.80634478
0.14964422 0.89681650 0.70637145
0.16011780 0.76376749 0.90509393
0.99846623 0.77607987 0.91751344
0.55879446 0.11922536 0.08114483
0.65111531 0.24985066 0.16374227
0.32875086 0.14124785 0.45133871
0.60512775 0.19588801 0.79095862
0.41712146 0.18633591 0.57244239
0.60665393 0.34518475 0.76012163
0.49844668 0.26134620 0.68209571
0.39272450 0.33451065 0.09154358
0.61142628 0.45705647 0.40528713
0.32783249 0.47075712 0.05818943
0.60790338 0.67559384 0.34052250
0.70159514 0.62416801 0.20527673
0.44712577 0.53755406 0.11773209
0.40372506 0.34021786 0.57332720
0.65693542 0.48951226 0.80642715
0.35555314 0.48847507 0.54094105
0.60814599 0.62195975 0.87356332
0.30144715 0.34753333 0.96549559
0.35393816 0.62139852 0.02807596
0.37919660 0.77151083 0.02339788
0.52589582 0.87630141 0.23553933
0.49449633 0.73572320 0.42361310
0.31440197 0.72102559 0.39663501
0.57755002 0.77955154 0.87302244
0.61023495 0.05002541 0.80492876
0.66306080 0.98306750 0.67190531
0.47949614 0.68092697 0.94897216
0.31454360 0.70566499 0.90323273
0.89904380 0.17374084 0.31745273
0.94079654 0.32037874 0.31255919
0.83017626 0.08302083 0.42695310
0.67387142 0.08919298 0.44507032
0.76154513 0.01238936 0.55118014
0.93816580 0.16613480 0.81506011
0.76866899 0.16160464 0.54697792
0.92003949 0.31871559 0.79962440
0.00000294 0.25183474 0.68515725
0.83593347 0.09940982 0.92409123
0.68478152 0.11647487 0.91812857
0.89327963 0.46399189 0.32463004
0.97779328 0.48905929 0.20595081
0.84546246 0.57041281 0.20574911
0.84790414 0.36585949 0.42690576
0.58635287 0.31027862 0.45514684
0.79093840 0.31028357 0.57955749
0.73718122 0.56830526 0.58676212
0.99471974 0.58589380 0.66136390
0.84831596 0.60893377 0.68645373
0.69094867 0.36102440 0.88926591
0.78075979 0.67247902 0.08585293
0.90903305 0.85598245 0.32386232
0.73727682 0.82175200 0.06323566
0.99427355 0.90262577 0.17843428
0.81398006 0.79257731 0.45639023
0.65769981 0.74172954 0.47015985
0.76442929 0.71109547 0.58631084
0.90073680 0.83413338 0.81337279
0.99157040 0.88878108 0.70145869
0.65822420 0.70800826 0.98796893
0.12273255 0.02546284 0.12545729
0.18827249 0.12074278 0.28260314
0.14037380 0.29475987 0.32648714
0.97923691 0.07350543 0.48876145
0.11742641 0.98092693 0.55076033
0.15771857 0.26369004 0.85558180
0.33263107 0.32283603 0.72312699
0.11420997 0.15651132 0.90070800
0.95011539 0.02355356 0.98457940
0.03045683 0.51310411 0.00912458
0.35889730 0.57112327 0.23194589
0.16027636 0.59093734 0.14885332
0.33478637 0.43412839 0.81376030
0.13335887 0.46137823 0.91793343
0.04125502 0.65302875 0.07953771
0.23865187 0.99221926 0.45745955
0.01009384 0.84642194 0.44605272
0.30189389 0.86625586 0.85628129
0.11405101 0.75535295 0.63004139
0.28015367 0.94066256 0.62024415
0.65414848 0.12994400 0.26403506
0.36685778 0.12473227 0.08583662
0.64017045 0.36849770 0.28624980
0.47082483 0.16833883 0.21242957
0.51876022 0.19638141 0.44936259
0.46505203 0.99761020 0.51738943
0.63374975 0.26282224 0.58918226
0.47379624 0.15724314 0.88150751
0.50453769 0.98456707 0.98412242
0.42905128 0.43559221 0.37833571
0.26314923 0.32818804 0.48101587
0.73866758 0.67173545 0.77921802
0.45835280 0.60315592 0.69172409
0.49574628 0.44093501 0.99975406
0.65592833 0.87119360 0.39525884
0.53484094 0.97023049 0.37496698
0.63069311 0.97595543 0.15302385
0.42444296 0.69080886 0.57667448
0.45258125 0.84775993 0.69090380
0.48623148 0.08498159 0.68534815
0.79079536 0.94798128 0.97864954
0.81032212 0.12365962 0.10074276
0.01293526 0.16309704 0.21415493
0.77470315 0.25504465 0.26078533
0.79621001 0.19889525 0.74979417
0.81684415 0.27325674 0.01433500
0.68863543 0.51534835 0.97400180
0.93011101 0.61738845 0.37285563
0.95557140 0.44805245 0.72617631
0.00464611 0.69392419 0.78446523
0.86785515 0.46064802 0.95875580
0.87607394 0.04572988 0.24198230
0.86987572 0.84283044 0.13702262
0.65885208 0.83462435 0.60594036
0.83137889 0.00471930 0.79665173
0.77995333 0.86695963 0.71878684
0.81542298 0.67065079 0.91697126
0.16172075 0.97159506 0.05120787
0.28672094 0.12564807 0.26998928
0.15554106 0.36615317 0.25883442
0.03519544 0.04875779 0.41027885
0.06045918 0.02723523 0.62122820
0.15592504 0.34447596 0.79841153
0.35849404 0.23284211 0.75501424
0.19416535 0.14550956 0.95898997
0.01522687 0.00192930 0.91277257
0.96394073 0.45997330 0.06066730
0.30096628 0.64073277 0.19172679
0.10265745 0.60766150 0.22695534
0.24249520 0.47170131 0.79509590
0.18294076 0.44167531 0.00232635
0.98832269 0.65867579 0.16493873
0.29111910 0.99137297 0.37032946
0.96003402 0.79718118 0.51666693
0.32303636 0.82021723 0.77088838
0.16291579 0.82116718 0.57518108
0.27886841 0.02651982 0.67022931
0.67567556 0.19996134 0.33055882
0.36223786 0.19448155 0.01431086
0.54822488 0.38390826 0.25211413
0.45245837 0.25057412 0.26631005
0.47059619 0.15001000 0.37631638
0.36653220 0.98975502 0.50745960
0.63688961 0.17197347 0.62783548
0.53487256 0.22069124 0.92756010
0.43083791 0.99515933 0.05375526
0.48501369 0.47790746 0.44844462
0.32729593 0.32257420 0.40492258
0.65894966 0.69389003 0.72366812
0.44444441 0.50283827 0.68660952
0.43837021 0.45580555 0.91748520
0.68383531 0.80650665 0.32561814
0.52609937 0.02591521 0.29330544
0.70976370 0.98734511 0.21209468
0.32741945 0.69752637 0.55498617
0.40380077 0.83399158 0.60263480
0.46743035 0.02470647 0.76280948
0.69339056 0.95965859 0.99189641
0.71302854 0.10595384 0.10683985
0.94921870 0.18418603 0.14152161
0.81050314 0.33181247 0.20852718
0.84987221 0.14327964 0.68762099
0.81328194 0.35379852 0.07293212
0.73904403 0.49036410 0.05871615
0.01818176 0.58012707 0.34060642
0.01365304 0.49509368 0.79106969
0.97623323 0.63231710 0.85665111
0.81392616 0.47019919 0.87610787
0.97328146 0.04138450 0.25876081
0.80357529 0.84051236 0.21095686
0.66014195 0.88742313 0.52091770
0.90285232 0.04078552 0.73838871
0.83815494 0.85299601 0.64027435
0.77698474 0.75593304 0.88324644
0.01651057 0.96969679 0.54958616
0.29420652 0.50263398 0.87681613
0.94736417 0.61511803 0.08275120
0.18987441 0.99630351 0.36857146
0.41276858 0.01887824 0.95705657
0.50301132 0.54940213 0.61782545
0.47580315 0.36328813 0.93657582
0.49917106 0.86869333 0.60300142
0.64900395 0.44819240 0.03897090
0.97582247 0.65950543 0.29240466
0.06051295 0.24591565 0.41863282
0.23057666 0.71802484 0.64054354
0.17042343 0.72109011 0.17133995
0.74454326 0.38708224 0.75630995
0.56080314 0.57403277 0.74440976
0.82174993 0.71114799 0.21938765
0.87378853 0.72003998 0.35105672
0.08640677 0.69581355 0.00264688
0.29735151 0.08846937 0.86919485
0.38816985 0.81157325 0.47591463
0.66372310 0.45496974 0.38663534
0.58597752 0.62663044 0.35528250
0.68050924 0.64377293 0.25328264
0.48773723 0.61614812 0.19885777
0.55810327 0.56747369 0.14298015
0.50330517 0.64227266 0.10085399
0.85568444 0.34344997 0.47736790
0.62480748 0.27621888 0.43393182
0.75135153 0.33875217 0.55281809
0.72285740 0.46107851 0.54410659
0.79452247 0.46756522 0.61704155
0.69512800 0.47104273 0.64204413
0.30161570 0.80275678 0.12599766
0.58290510 0.16707463 0.09693309
0.42676188 0.80029147 0.02351226
0.42753081 0.87995921 0.17226744
0.48057686 0.96745628 0.17185961
0.51413792 0.88771706 0.11749580
position of ions in cartesian coordinates (Angst):
1.38314890 1.35531130 0.04630115
4.30301847 2.15352392 7.05746352
1.30882902 4.06731203 2.03160580
3.96992330 4.32884848 4.13194040
1.29274635 3.05682562 8.10200825
3.79636372 1.47547453 14.70421435
1.24643208 4.63550745 10.86193272
3.89004508 4.20091717 12.88286597
1.04481737 6.69019872 17.44020443
3.77369703 7.04598580 6.61023842
0.71311573 9.21048852 2.53844762
3.86879640 9.70387810 4.59022952
1.19398808 7.29662885 8.75951877
4.14924720 6.52609492 15.71477250
1.16790660 10.19707693 10.50562678
3.90201648 11.30466277 11.97144725
1.41963307 13.48239900 16.87999827
3.89470270 12.50036025 6.39588268
1.24091765 15.65994518 2.03745605
3.45675908 13.88732293 3.60017507
1.37686272 12.90670850 8.69683080
4.20895895 12.98001390 14.89139662
1.28270520 15.54574035 11.35728703
4.02703560 16.14415670 13.12883162
8.51843773 2.13685973 0.32759230
10.42519835 1.68658997 6.72747705
6.89191860 4.41937842 2.41726450
10.22536025 4.35380820 4.16682035
7.19238240 2.15284090 8.75827400
10.67141110 2.29851842 15.08728270
7.24074960 4.59796838 11.01224215
10.30176490 4.56419093 12.61212383
6.40057110 6.85175680 0.36514713
9.75324892 6.62605528 6.90744548
6.24007195 9.67822835 1.67644575
6.65558355 7.06041560 8.79420605
11.80691995 6.94639207 14.05727120
6.39955312 9.97658532 10.34026350
11.03265048 10.16848228 13.84913687
6.77344937 12.10505240 16.99255635
10.32223430 13.09441682 6.99099118
10.59365300 15.96479640 4.77520977
6.94250287 12.79246833 7.88184705
10.18653982 12.31147050 16.08279190
7.13887807 17.01344715 11.20309610
10.37681977 0.23169142 12.64834585
13.24904245 1.54346080 17.14370192
15.89409885 1.64184860 6.44544583
12.98856667 4.28042108 2.14546448
15.96784630 4.32998072 4.48967207
13.27096820 1.52537140 8.57425555
16.03460652 1.53130443 15.21658670
13.37700840 3.97589763 10.80799282
16.23421188 4.17555250 13.11474500
13.12187835 6.75851348 16.83328132
16.15349872 6.82328535 6.57280208
13.80450663 11.28726358 3.11364445
16.01529650 9.31598973 4.57229220
16.24774025 6.95130923 14.97399908
13.37358155 11.10317110 11.33383562
16.26480835 10.28309992 12.82929165
13.02958248 12.87264807 0.34345465
15.63587428 13.81058437 6.90598493
13.11025748 15.86276300 1.91697747
16.04846705 15.98248977 4.25313507
12.92949980 13.50280417 9.01948442
16.03469910 13.24150275 15.21398690
13.00716638 16.52926520 10.76204220
15.92966952 15.85673495 13.13419100
1.86053823 17.36365120 1.29865243
4.17830280 2.73136395 5.21240510
3.26425785 5.75850817 5.24300595
17.49829183 1.67854015 7.58537902
1.16531503 17.05709303 10.27678120
3.43295803 5.28736390 14.40973712
5.78978575 4.58178578 12.35126515
2.66621845 1.96025462 16.18883998
17.32027307 0.89678802 16.51549655
0.46198915 8.18893285 0.93413215
5.39230650 10.11127285 3.40659515
2.32066415 9.80686963 3.44942850
4.91964112 7.92130483 14.71679492
2.68709997 7.23238215 16.69438172
0.01019533 10.88204128 2.02154243
4.21835435 0.28128922 6.98758777
17.23783268 13.81792895 8.03063730
4.79582442 14.66186032 14.12172387
1.82403865 14.00413403 10.26937065
5.26767815 16.92854275 11.79676382
10.96027013 2.96124185 5.34122470
6.97456515 3.04581707 1.08258710
10.16897910 6.05360508 5.08581675
8.34038975 4.05065605 3.68939322
8.74488913 2.42632390 7.55292143
7.18775400 0.35633570 9.46384460
11.47395323 4.04891637 11.19556480
9.15079760 2.77757165 16.12392530
7.98733757 0.36277063 0.04247163
8.09305892 7.37876895 7.53062642
5.20414457 6.37683182 7.73407197
12.25313215 11.32612705 12.87114675
7.88582008 9.71336590 11.41293685
7.90587543 7.26091065 16.85698893
11.07223757 14.64348708 6.08451900
9.97409910 0.03402140 5.82220100
11.77785893 16.49122160 3.26040820
6.65717430 11.67689040 9.40508083
7.76960783 15.24886090 11.07940838
8.52712210 0.41685700 12.29828652
13.11180518 17.12783870 0.26607000
13.20693010 2.50512360 1.34897455
17.29334880 3.71694278 3.19979048
14.20034875 4.69758468 3.69277563
14.59997088 3.56179023 12.23786672
13.57707698 5.48481377 0.72231722
12.29749325 8.18630977 0.22047953
16.86595505 10.59175828 5.62456755
16.66958440 8.43890180 13.63905445
16.67264883 11.67449045 14.15978585
14.70756035 7.45696070 15.98013708
16.06898527 0.34084347 4.92525705
14.63768338 15.41565550 3.05857650
12.21693883 15.07373227 9.87203490
15.65465790 0.14914183 13.86556658
14.35754057 15.71932355 11.91759433
14.30081362 12.83267790 16.21966657
8.77223077 10.39607117 2.47225195
12.91186558 8.54215688 10.48161345
8.49466695 15.82839738 2.99445265
1.32044693 2.68576788 1.08043302
5.44581187 4.42337402 3.31859413
2.71894630 4.15018853 2.95897823
2.89360592 2.63573607 7.84048160
3.72927695 2.61904160 13.46082430
1.12195492 3.42722415 9.72736135
2.69176128 4.49808467 11.70257830
1.13271182 5.33613080 0.95031703
4.03043165 8.42196513 5.67301490
3.75156845 11.03623447 5.64253392
2.52169855 7.25791447 7.75546870
17.39856370 7.13193355 7.68295080
1.18188228 6.06412468 9.94036173
1.18201562 8.73357660 9.65531420
3.91098470 11.84592133 13.59642900
5.12928448 10.31682558 11.41789232
2.50977265 10.51874862 11.46580453
17.45086560 6.59896808 16.12376920
3.55979995 13.67281107 5.25156695
1.28803272 14.62747685 0.64714510
4.98905068 14.24609515 3.11864035
2.40263695 15.06164153 3.08511665
2.72172005 12.72875187 7.62075440
1.06333325 11.39589325 9.35618372
3.61212005 17.43666190 14.11103365
2.61877385 15.69428875 12.36150037
2.80206150 13.36593107 15.83914377
17.47315902 13.58139772 16.05648520
9.77890305 2.08644380 1.42003452
11.39451793 4.37238655 2.86548973
5.75314005 2.47183737 7.89842743
10.58973563 3.42804017 13.84177585
7.29962555 3.26087842 10.01774182
10.61644378 6.04073313 13.30212853
8.72281690 4.57355850 11.93667492
6.87267875 5.85393637 1.60201265
10.69995990 7.99848822 7.09252477
5.73706857 8.23824960 1.01831502
10.63830915 11.82289220 5.95914375
12.27791495 10.92294017 3.59234278
7.82470097 9.40719605 2.06031157
7.06518855 5.95381255 10.03322600
11.49636985 8.56646455 14.11247512
6.22217995 8.54831372 9.46646838
10.64255482 10.88429563 15.28735810
5.27532513 6.08183327 16.89617283
6.19391780 10.87447410 0.49132930
6.63594050 13.50143952 0.40946290
9.20317685 15.33527467 4.12193828
8.65368577 12.87515600 7.41322925
5.50203447 12.61794782 6.94111267
10.10712535 13.64215195 15.27789270
10.67911162 0.87544468 14.08625330
11.60356400 17.20368125 11.75834292
8.39118245 11.91622198 16.60701280
5.50451300 12.34913733 15.80657277
15.73326650 3.04046470 5.55542277
16.46393945 5.60662795 5.46978583
14.52808455 1.45286453 7.47167925
11.79274985 1.56087715 7.78873060
13.32703978 0.21681380 9.64565245
16.41790150 2.90735900 14.26355192
13.45170733 2.82808120 9.57211360
16.10069108 5.57752282 13.99342700
0.00005145 4.40710795 11.99025188
14.62883573 1.73967185 16.17159653
11.98367660 2.03831022 16.06724998
15.63239353 8.11985808 5.68102570
17.11138240 8.55853758 3.60413917
14.79559305 9.98222418 3.60060942
14.83832245 6.40254107 7.47085080
10.26117522 5.42987585 7.96506970
13.84142200 5.42996248 10.14225607
12.90067135 9.94534205 10.26833710
17.40759545 10.25314150 11.57386825
14.84552930 10.65634098 12.01294027
12.09160172 6.31792700 15.56215342
13.66329632 11.76838285 1.50242628
15.90807837 14.97969287 5.66759060
12.90234435 14.38066000 1.10662405
17.39978713 15.79595098 3.12259990
14.24465105 13.87010292 7.98682902
11.50974667 12.98026695 8.22779738
13.37751258 12.44417072 10.26043970
15.76289400 14.59733415 14.23402383
17.35248200 15.55366890 12.27552708
11.51892350 12.39014455 17.28945628
2.14781963 0.44559970 2.19550257
3.29476858 2.11299865 4.94555495
2.45654150 5.15829773 5.71352495
17.13664592 1.28634502 8.55332537
2.05496218 17.16622128 9.63830578
2.76007498 4.61457570 14.97268150
5.82104372 5.64963052 12.65472232
1.99867447 2.73894810 15.76239000
16.62701933 0.41218730 17.23013950
0.53299452 8.97932193 0.15968015
6.28070275 9.99465723 4.05905307
2.80483630 10.34140345 2.60493310
5.85876148 7.59724682 14.24080525
2.33378023 8.07411903 16.06383502
0.72196285 11.42800312 1.39190992
4.17640772 17.36383705 8.00554213
0.17664220 14.81238395 7.80592260
5.28314308 15.15947755 14.98492257
1.99589267 13.21867663 11.02572433
4.90268922 16.46159480 10.85427262
11.44759840 2.27402000 4.62061355
6.42001115 2.18281473 1.50214085
11.20298287 6.44870975 5.00937150
8.23943452 2.94592953 3.71751747
9.07830385 3.43667468 7.86384532
8.13841053 17.45817850 9.05431503
11.09062062 4.59938920 10.31068955
8.29143420 2.75175495 15.42638142
8.82940957 17.22992372 17.22214235
7.50839740 7.62286368 6.62087493
4.60511153 5.74329070 8.41777773
12.92668265 11.75537037 13.63631535
8.02117400 10.55522860 12.10517158
8.67555990 7.71636267 17.49569605
11.47874578 15.24588800 6.91702970
9.35971645 16.97903357 6.56192215
11.03712943 17.07922002 2.67791737
7.42775180 12.08915505 10.09180340
7.92017188 14.83579878 12.09081650
8.50905090 1.48717782 11.99359263
13.83891880 16.58967240 17.12636695
14.18063710 2.16404335 1.76299830
0.22636705 2.85419820 3.74771127
13.55730513 4.46328138 4.56374327
13.93367518 3.48066687 13.12139798
14.29477263 4.78199295 0.25086250
12.05112002 9.01859612 17.04503150
16.27694267 10.80429787 6.52497352
16.72249950 7.84091787 12.70808542
0.08130693 12.14367332 13.72814153
15.18746512 8.06134035 16.77822650
15.33129395 0.80027290 4.23469025
15.22282510 14.74953270 2.39789585
11.52991140 14.60592612 10.60395630
14.54913058 0.08258775 13.94140528
13.64918327 15.17179352 12.57876970
14.26990215 11.73638883 16.04699705
2.83011313 17.00291355 0.89613772
5.01761645 2.19884122 4.72481240
2.72196855 6.40768047 4.52960235
0.61592020 0.85326133 7.17987987
1.05803565 0.47661653 10.87149350
2.72868820 6.02832930 13.97220178
6.27364570 4.07473692 13.21274920
3.39789362 2.54641730 16.78232447
0.26647022 0.03376275 15.97351998
16.86896277 8.04953275 1.06167775
5.26690990 11.21282347 3.35521882
1.79650538 10.63407625 3.97171845
4.24366600 8.25477293 13.91417825
3.20146330 7.72931793 0.04071112
17.29564707 11.52682632 2.88642778
5.09458425 17.34902698 6.48076555
16.80059535 13.95067065 9.04167127
5.65313630 14.35380152 13.49054665
2.85102632 14.37042565 10.06566890
4.88019718 0.46409685 11.72901293
11.82432230 3.49932345 5.78477935
6.33916255 3.40342712 0.25044005
9.59393540 6.71839455 4.41199728
7.91802148 4.38504710 4.66042588
8.23543333 2.62517500 6.58553665
6.41431350 17.32071285 8.88054300
11.14556817 3.00953572 10.98712090
9.36026980 3.86209670 16.23230175
7.53966343 17.41528827 0.94071705
8.48773958 8.36338055 7.84778085
5.72767877 5.64504850 7.08614515
11.53161905 12.14307552 12.66419210
7.77777718 8.79966972 12.01566660
7.67147868 7.97659713 16.05599100
11.96711792 14.11386638 5.69831745
9.20673897 0.45351618 5.13284520
12.42086475 17.27853942 3.71165690
5.72984038 12.20671147 9.71225797
7.06651347 14.59485265 10.54610900
8.18003113 0.43236322 13.34916590
12.13433480 16.79402532 17.35818718
12.47799945 1.85419220 1.86969738
16.61132725 3.22325552 2.47662817
14.18380495 5.80671823 3.64922565
14.87276368 2.50739370 12.03336732
14.23243395 6.19147410 1.27631210
12.93327053 8.58137175 1.02753263
0.31818080 10.15222373 5.96061235
0.23892820 8.66413940 13.84371958
17.08408152 11.06554925 14.99139443
14.24370780 8.22848583 15.33188772
17.03242555 0.72422875 4.52831417
14.06256757 14.70896630 3.69174505
11.55248413 15.52990478 9.11605975
15.79991560 0.71374660 12.92180243
14.66771145 14.92743017 11.20480112
13.59723295 13.22882820 15.45681270
0.28893498 16.96969383 9.61775780
5.14861410 8.79609465 15.34428228
16.57887298 10.76456552 1.44814600
3.32280218 17.43531142 6.45000055
7.22345015 0.33036920 16.74848997
8.80269810 9.61453727 10.81194537
8.32655512 6.35754228 16.39007685
8.73549355 15.20213327 10.55252485
11.35756913 7.84336700 0.68199075
17.07689322 11.54134503 5.11708155
1.05897663 4.30352388 7.32607435
4.03509155 12.56543470 11.20951195
2.98241002 12.61907692 2.99844912
13.02950705 6.77393920 13.23542413
9.81405495 10.04557348 13.02717080
14.38062378 12.44508983 3.83928388
15.29129927 12.60069965 6.14349260
1.51211848 12.17673712 0.04632040
5.20365142 1.54821397 15.21090987
6.79297237 14.20253188 8.32850602
11.61515425 7.96197045 6.76611845
10.25460660 10.96603270 6.21744375
11.90891170 11.26602627 4.43244620
8.53540153 10.78259210 3.48001097
9.76680722 9.93078957 2.50215262
8.80784047 11.23977155 1.76494482
14.97447770 6.01037448 8.35393825
10.93413090 4.83383040 7.59380685
13.14865178 5.92816297 9.67431658
12.65000450 8.06887393 9.52186532
13.90414322 8.18239135 10.79822713
12.16474000 8.24324778 11.23577228
5.27827475 14.04824365 2.20495905
10.20083925 2.92380603 1.69632908
7.46833290 14.00510072 0.41146455
7.48178918 15.39928618 3.01468020
8.41009505 16.93048490 3.00754317
8.99741360 15.53504855 2.05617650
--------------------------------------------------------------------------------------------------------
k-point 1 : 0.0000 0.0000 0.0000 plane waves: 97521
k-point 2 : 0.5000 0.0000 0.0000 plane waves: 97386
k-point 3 : 0.0000 0.5000 0.0000 plane waves: 97386
k-point 4 : 0.0000 0.0000 0.5000 plane waves: 97386
k-point 5 : 0.5000 0.5000 0.0000 plane waves: 97304
k-point 6 : 0.0000 0.5000 0.5000 plane waves: 97304
k-point 7 : 0.5000 0.0000 0.5000 plane waves: 97304
k-point 8 : 0.5000 0.5000 0.5000 plane waves: 97280
maximum and minimum number of plane-waves per node : 97521 97280
maximum number of plane-waves: 97521
maximum index in each direction:
IXMAX= 28 IYMAX= 28 IZMAX= 28
IXMIN= -29 IYMIN= -29 IZMIN= -29
The following grids will avoid any aliasing or wrap around errors in the Hartre
e energy
- symmetry arguments have not been applied
- exchange correlation energies might require even more grid points
- we recommend to set PREC=Normal or Accurate and rely on VASP defaults
WARNING: aliasing errors must be expected set NGX to 120 to avoid them
WARNING: aliasing errors must be expected set NGY to 120 to avoid them
WARNING: aliasing errors must be expected set NGZ to 120 to avoid them
serial 3D FFT for wavefunctions
parallel 3D FFT for charge:
minimum data exchange during FFTs selected (reduces bandwidth)
total amount of memory used by VASP MPI-rank0 2750980. kBytes
=======================================================================
base : 30000. kBytes
nonlr-proj: 35948. kBytes
fftplans : 52431. kBytes
grid : 135172. kBytes
one-center: 1130. kBytes
wavefun : 2496299. kBytes
Broyden mixing: mesh for mixing (old mesh)
NGX = 57 NGY = 57 NGZ = 57
(NGX =180 NGY =180 NGZ =180)
gives a total of 185193 points
initial charge density was supplied:
charge density of overlapping atoms calculated
number of electron 1190.0000000 magnetization
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for non-local projection operator 1466
Maximum index for augmentation-charges 1139 (set IRDMAX)
--------------------------------------------------------------------------------------------------------
First call to EWALD: gamma= 0.101
Maximum number of real-space cells 3x 3x 3
Maximum number of reciprocal cells 3x 3x 3
----------------------------------------- Iteration 1( 1) ---------------------------------------
BZINTS: Fermi energy: 9.735147; 1190.000000 electrons
Band energy:-0.354508E+04; BLOECHL correction: -0.019323
eigenvalue-minimisations : 12528
total energy-change (2. order) : 0.6654082E+04 (-0.4630502E+05)
number of electron 1190.0000000 magnetization
augmentation part 1190.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -29977.05695321
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2909.96881179
PAW double counting = 43066.04161597 -42044.10328968
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -3545.07747535
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 6654.08175830 eV
energy without entropy = 6654.08175830 energy(sigma->0) = 6654.08175830
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 2) ---------------------------------------
BZINTS: Fermi energy: -2.523135; 1190.000000 electrons
Band energy:-0.117389E+05; BLOECHL correction: 0.000000
eigenvalue-minimisations : 15380
total energy-change (2. order) :-0.8193868E+04 (-0.7954465E+04)
number of electron 1190.0000000 magnetization
augmentation part 1190.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -29977.05695321
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2909.96881179
PAW double counting = 43066.04161597 -42044.10328968
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -11738.94571038
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -1539.78647672 eV
energy without entropy = -1539.78647672 energy(sigma->0) = -1539.78647672
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 3) ---------------------------------------
BZINTS: Fermi energy: -4.511714; 1190.000000 electrons
Band energy:-0.126877E+05; BLOECHL correction: 0.000000
eigenvalue-minimisations : 15128
total energy-change (2. order) :-0.9487157E+03 (-0.9427384E+03)
number of electron 1190.0000000 magnetization
augmentation part 1190.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -29977.05695321
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2909.96881179
PAW double counting = 43066.04161597 -42044.10328968
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -12687.66142323
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2488.50218957 eV
energy without entropy = -2488.50218957 energy(sigma->0) = -2488.50218957
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 4) ---------------------------------------
BZINTS: Fermi energy: -4.555324; 1190.000000 electrons
Band energy:-0.127139E+05; BLOECHL correction: 0.000000
eigenvalue-minimisations : 15136
total energy-change (2. order) :-0.2628027E+02 (-0.2618699E+02)
number of electron 1190.0000000 magnetization
augmentation part 1190.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -29977.05695321
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2909.96881179
PAW double counting = 43066.04161597 -42044.10328968
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -12713.94169620
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2514.78246255 eV
energy without entropy = -2514.78246255 energy(sigma->0) = -2514.78246255
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 5) ---------------------------------------
BZINTS: Fermi energy: -4.555618; 1190.000000 electrons
Band energy:-0.127148E+05; BLOECHL correction: 0.000000
eigenvalue-minimisations : 15352
total energy-change (2. order) :-0.8688538E+00 (-0.8677340E+00)
number of electron 1189.9999992 magnetization
augmentation part 69.5019234 magnetization
Broyden mixing:
rms(total) = 0.10490E+02 rms(broyden)= 0.10484E+02
rms(prec ) = 0.11594E+02
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -29977.05695321
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2909.96881179
PAW double counting = 43066.04161597 -42044.10328968
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -12714.81054999
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2515.65131634 eV
energy without entropy = -2515.65131634 energy(sigma->0) = -2515.65131634
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 6) ---------------------------------------
BZINTS: Fermi energy: -1.176480; 1190.000000 electrons
Band energy:-0.101021E+05; BLOECHL correction: 0.000000
eigenvalue-minimisations : 14160
total energy-change (2. order) : 0.2720855E+03 (-0.1005610E+03)
number of electron 1189.9999983 magnetization
augmentation part 53.7862170 magnetization
Broyden mixing:
rms(total) = 0.48834E+01 rms(broyden)= 0.48807E+01
rms(prec ) = 0.50813E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.0762
1.0762
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -32444.62586349
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3070.40189679
PAW double counting = 71408.13536683 -70419.72775492
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -10102.05855062
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2243.56585662 eV
energy without entropy = -2243.56585662 energy(sigma->0) = -2243.56585662
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 7) ---------------------------------------
BZINTS: Fermi energy: -0.596686; 1190.000000 electrons
Band energy:-0.969310E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 16256
total energy-change (2. order) : 0.1194433E+02 (-0.4989324E+01)
number of electron 1189.9999983 magnetization
augmentation part 52.6510801 magnetization
Broyden mixing:
rms(total) = 0.23014E+01 rms(broyden)= 0.23011E+01
rms(prec ) = 0.24291E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2331
1.2331 1.2331
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -32874.09141589
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3101.82161596
PAW double counting = 98368.37359433 -97378.93267105
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9693.10169728
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2231.62152513 eV
energy without entropy = -2231.62152513 energy(sigma->0) = -2231.62152513
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 8) ---------------------------------------
BZINTS: Fermi energy: -0.673681; 1190.000000 electrons
Band energy:-0.945188E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 14856
total energy-change (2. order) : 0.3814416E+01 (-0.8963278E+00)
number of electron 1189.9999986 magnetization
augmentation part 53.0949705 magnetization
Broyden mixing:
rms(total) = 0.94274E+00 rms(broyden)= 0.94265E+00
rms(prec ) = 0.10155E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4495
2.2195 1.0645 1.0645
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33131.02826797
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3121.19246441
PAW double counting = 111586.06021325 -110596.46368789
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9451.87687952
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.80710892 eV
energy without entropy = -2227.80710892 energy(sigma->0) = -2227.80710892
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 9) ---------------------------------------
BZINTS: Fermi energy: 0.110605; 1190.000000 electrons
Band energy:-0.920464E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 15632
total energy-change (2. order) : 0.8006353E+00 (-0.2147680E+00)
number of electron 1189.9999986 magnetization
augmentation part 52.7372193 magnetization
Broyden mixing:
rms(total) = 0.21884E+00 rms(broyden)= 0.21872E+00
rms(prec ) = 0.25151E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3749
2.3078 1.2965 0.9477 0.9477
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33395.17962460
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3139.93160650
PAW double counting = 120339.92566632 -119351.35730681
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9204.63586385
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.00647365 eV
energy without entropy = -2227.00647365 energy(sigma->0) = -2227.00647365
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 10) ---------------------------------------
BZINTS: Fermi energy: 0.043581; 1190.000000 electrons
Band energy:-0.917392E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 14424
total energy-change (2. order) :-0.5631739E-01 (-0.2494105E-01)
number of electron 1189.9999986 magnetization
augmentation part 52.7718131 magnetization
Broyden mixing:
rms(total) = 0.13225E+00 rms(broyden)= 0.13223E+00
rms(prec ) = 0.15418E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4344
2.2028 1.9546 1.0182 1.0182 0.9780
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33428.11398913
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3141.83049910
PAW double counting = 120628.02157457 -119639.18563706
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9173.92428732
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.06279104 eV
energy without entropy = -2227.06279104 energy(sigma->0) = -2227.06279104
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 11) ---------------------------------------
BZINTS: Fermi energy: 0.082806; 1190.000000 electrons
Band energy:-0.914760E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 13952
total energy-change (2. order) :-0.4035164E-01 (-0.1474150E-01)
number of electron 1189.9999986 magnetization
augmentation part 52.8164119 magnetization
Broyden mixing:
rms(total) = 0.57799E-01 rms(broyden)= 0.57757E-01
rms(prec ) = 0.73142E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4229
2.2922 2.2922 1.0534 1.0534 0.9232 0.9232
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33456.04673671
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3143.14637141
PAW double counting = 120104.81785336 -119115.72980074
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9147.59987880
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.10314268 eV
energy without entropy = -2227.10314268 energy(sigma->0) = -2227.10314268
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 12) ---------------------------------------
BZINTS: Fermi energy: 0.170661; 1190.000000 electrons
Band energy:-0.913350E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 16808
total energy-change (2. order) :-0.9221284E-03 (-0.3157671E-02)
number of electron 1189.9999986 magnetization
augmentation part 52.7968249 magnetization
Broyden mixing:
rms(total) = 0.33443E-01 rms(broyden)= 0.33433E-01
rms(prec ) = 0.43802E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4331
2.4897 2.4897 1.0854 1.0854 0.9398 0.9711 0.9711
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33470.96685723
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3143.93173679
PAW double counting = 120010.41461309 -119021.28985507
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9133.50275118
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.10406481 eV
energy without entropy = -2227.10406481 energy(sigma->0) = -2227.10406481
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 13) ---------------------------------------
BZINTS: Fermi energy: 0.187749; 1190.000000 electrons
Band energy:-0.912550E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 13944
total energy-change (2. order) : 0.1758373E-02 (-0.1793996E-02)
number of electron 1189.9999986 magnetization
augmentation part 52.7925574 magnetization
Broyden mixing:
rms(total) = 0.15668E-01 rms(broyden)= 0.15646E-01
rms(prec ) = 0.22873E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4039
2.6675 2.4782 1.1604 1.1604 0.9236 0.9236 0.9586 0.9586
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33479.43309354
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.33351447
PAW double counting = 119930.32590899 -118941.13549705
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9125.50218809
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.10230644 eV
energy without entropy = -2227.10230644 energy(sigma->0) = -2227.10230644
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 14) ---------------------------------------
BZINTS: Fermi energy: 0.216577; 1190.000000 electrons
Band energy:-0.912301E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 17664
total energy-change (2. order) : 0.1221914E-02 (-0.4783069E-03)
number of electron 1189.9999986 magnetization
augmentation part 52.7867049 magnetization
Broyden mixing:
rms(total) = 0.12252E-01 rms(broyden)= 0.12247E-01
rms(prec ) = 0.17210E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4022
2.7838 2.4356 1.6073 1.0245 1.0245 1.0859 0.9821 0.9821 0.6939
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33482.05473177
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.44552754
PAW double counting = 119913.42821728 -118924.22260485
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9123.00654151
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.10108452 eV
energy without entropy = -2227.10108452 energy(sigma->0) = -2227.10108452
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 15) ---------------------------------------
BZINTS: Fermi energy: 0.234599; 1190.000000 electrons
Band energy:-0.912139E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 14664
total energy-change (2. order) : 0.1362918E-02 (-0.1602203E-03)
number of electron 1189.9999986 magnetization
augmentation part 52.7875840 magnetization
Broyden mixing:
rms(total) = 0.58452E-02 rms(broyden)= 0.58405E-02
rms(prec ) = 0.97997E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4564
3.1824 2.4873 2.0931 0.9701 0.9701 1.0912 1.0912 0.9547 0.9547 0.7690
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33483.75417679
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.50730268
PAW double counting = 119930.42325773 -118941.19934283
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9121.38581118
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09972160 eV
energy without entropy = -2227.09972160 energy(sigma->0) = -2227.09972160
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 16) ---------------------------------------
BZINTS: Fermi energy: 0.241386; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 16184
total energy-change (2. order) : 0.8208855E-03 (-0.7614799E-04)
number of electron 1189.9999986 magnetization
augmentation part 52.7882434 magnetization
Broyden mixing:
rms(total) = 0.51264E-02 rms(broyden)= 0.51238E-02
rms(prec ) = 0.68037E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4767
3.4465 2.5561 2.3010 1.2932 1.0183 1.0183 1.0099 1.0099 0.9113 0.9113
0.7681
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33485.07595697
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.54151828
PAW double counting = 119933.18866186 -118943.95310828
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9120.10906441
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09890072 eV
energy without entropy = -2227.09890072 energy(sigma->0) = -2227.09890072
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 17) ---------------------------------------
BZINTS: Fermi energy: 0.251211; 1190.000000 electrons
Band energy:-0.911990E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 15664
total energy-change (2. order) : 0.1526717E-03 (-0.1180329E-03)
number of electron 1189.9999986 magnetization
augmentation part 52.7879758 magnetization
Broyden mixing:
rms(total) = 0.31581E-02 rms(broyden)= 0.31541E-02
rms(prec ) = 0.38698E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4442
3.6441 2.6170 2.3328 1.0373 1.0373 1.2310 1.0572 0.9909 0.9308 0.9308
0.7607 0.7607
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33485.27696787
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.53324887
PAW double counting = 119941.97392134 -118952.73982852
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9119.89817067
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09874805 eV
energy without entropy = -2227.09874805 energy(sigma->0) = -2227.09874805
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 18) ---------------------------------------
BZINTS: Fermi energy: 0.253746; 1190.000000 electrons
Band energy:-0.911992E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 14984
total energy-change (2. order) : 0.2326121E-04 (-0.2980992E-04)
number of electron 1189.9999986 magnetization
augmentation part 52.7867687 magnetization
Broyden mixing:
rms(total) = 0.25997E-02 rms(broyden)= 0.25986E-02
rms(prec ) = 0.31085E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4907
4.0769 2.7399 2.4115 1.4061 1.0136 1.0136 1.0640 1.0640 1.0372 1.0372
0.8967 0.8967 0.7220
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33485.24309556
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.52540706
PAW double counting = 119943.71024676 -118954.47891946
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9119.92141238
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09872479 eV
energy without entropy = -2227.09872479 energy(sigma->0) = -2227.09872479
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 19) ---------------------------------------
BZINTS: Fermi energy: 0.257047; 1190.000000 electrons
Band energy:-0.911996E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 13608
total energy-change (2. order) : 0.3796601E-04 (-0.3414679E-05)
number of electron 1189.9999986 magnetization
augmentation part 52.7868798 magnetization
Broyden mixing:
rms(total) = 0.13185E-02 rms(broyden)= 0.13181E-02
rms(prec ) = 0.16127E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5525
4.6778 2.7298 2.5383 2.0732 1.0394 1.0394 1.1975 0.9106 0.9106 1.0239
1.0239 0.9055 0.9055 0.7596
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33485.19498162
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.51534930
PAW double counting = 119946.34731995 -118957.11749389
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9119.95792934
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09868682 eV
energy without entropy = -2227.09868682 energy(sigma->0) = -2227.09868682
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 20) ---------------------------------------
BZINTS: Fermi energy: 0.258007; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 13464
total energy-change (2. order) : 0.1117971E-04 (-0.3394226E-05)
number of electron 1189.9999986 magnetization
augmentation part 52.7874165 magnetization
Broyden mixing:
rms(total) = 0.63604E-03 rms(broyden)= 0.63531E-03
rms(prec ) = 0.77525E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5480
5.0437 2.8928 2.5395 2.0544 1.0304 1.0304 1.3173 0.9937 0.9937 1.0294
1.0294 0.9059 0.8296 0.8296 0.7010
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33485.06583253
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.50538114
PAW double counting = 119944.52565335 -118955.29653899
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9120.07638740
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09867564 eV
energy without entropy = -2227.09867564 energy(sigma->0) = -2227.09867564
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 21) ---------------------------------------
BZINTS: Fermi energy: 0.258879; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
eigenvalue-minimisations : 9632
total energy-change (2. order) : 0.6324190E-06 (-0.1915190E-05)
number of electron 1189.9999986 magnetization
augmentation part 52.7874165 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 932.13330170
Ewald energy TEWEN = -20130.64439512
-Hartree energ DENC = -33485.02214458
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3144.50354532
PAW double counting = 119945.18642960 -118955.95774085
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -9120.11781329
atomic energy EATOM = 55442.82014222
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2227.09867501 eV
energy without entropy = -2227.09867501 energy(sigma->0) = -2227.09867501
--------------------------------------------------------------------------------------------------------
average (electrostatic) potential at core
the test charge radii are 0.9892 0.6991 0.7215 0.5201
(the norm of the test charge is 1.0000)
1 -89.4990 2 -89.6633 3 -90.0912 4 -89.7824 5 -89.6730
6 -89.6132 7 -90.7550 8 -89.9881 9 -89.4415 10 -89.7622
11 -88.7963 12 -89.6982 13 -90.8064 14 -88.7944 15 -90.5390
16 -90.0788 17 -90.1540 18 -90.5231 19 -90.3618 20 -89.5304
21 -90.0908 22 -90.4186 23 -89.6469 24 -89.8117 25 -88.9281
26 -89.7594 27 -89.6070 28 -89.6070 29 -89.9961 30 -90.7884
31 -90.4801 32 -90.4434 33 -89.3546 34 -89.5130 35 -89.5156
36 -89.8093 37 -89.7174 38 -89.5509 39 -89.1336 40 -89.9576
41 -90.2888 42 -89.1783 43 -90.0922 44 -88.8572 45 -89.3582
46 -91.8621 47 -90.1308 48 -90.1180 49 -89.6112 50 -89.7962
51 -90.8719 52 -90.0038 53 -89.8628 54 -90.4420 55 -88.8835
56 -90.1863 57 -89.5551 58 -89.5442 59 -89.7423 60 -89.7881
61 -89.8993 62 -89.8802 63 -89.9173 64 -89.5588 65 -90.1151
66 -90.3654 67 -89.9939 68 -90.6663 69 -90.0658 70 -53.6479
71 -53.5456 72 -53.3764 73 -53.7531 74 -53.4131 75 -53.4072
76 -53.8742 77 -53.5733 78 -53.5795 79 -53.2108 80 -53.3880
81 -53.3390 82 -53.0313 83 -53.0737 84 -52.8599 85 -53.4131
86 -53.7976 87 -53.6216 88 -53.5328 89 -53.8621 90 -53.6984
91 -53.3953 92 -53.6318 93 -53.6969 94 -53.6760 95 -53.7967
96 -53.8704 97 -53.8460 98 -53.3401 99 -53.5747 100 -53.4621
101 -53.3052 102 -53.0578 103 -52.9421 104 -53.6601 105 -53.6236
106 -53.5988 107 -53.6982 108 -53.6724 109 -55.1077 110 -53.6088
111 -53.6422 112 -53.6268 113 -53.5688 114 -53.8699 115 -53.5047
116 -52.8231 117 -53.1488 118 -53.5301 119 -53.5452 120 -53.2968
121 -53.8038 122 -53.3859 123 -53.8551 124 -53.7315 125 -54.0596
126 -53.5576 127 -54.2583 128 -54.7177 129 -54.7234 130 -75.5273
131 -75.5477 132 -75.5568 133 -75.7838 134 -75.7294 135 -75.8310
136 -75.8404 137 -75.6406 138 -75.5971 139 -75.5050 140 -75.6501
141 -75.8221 142 -75.8828 143 -75.8467 144 -75.7190 145 -75.6480
146 -75.8110 147 -75.4002 148 -75.6683 149 -75.6674 150 -75.4973
151 -75.6622 152 -75.7511 153 -75.7406 154 -75.7763 155 -75.6765
156 -75.6496 157 -75.6914 158 -75.6334 159 -75.6869 160 -75.7779
161 -76.1447 162 -75.9357 163 -75.9270 164 -75.8937 165 -75.4858
166 -75.7270 167 -75.4088 168 -75.9660 169 -75.2429 170 -75.1704
171 -75.7815 172 -75.6634 173 -75.6556 174 -74.9778 175 -75.3416
176 -75.3251 177 -75.4532 178 -75.4667 179 -75.7677 180 -75.6968
181 -72.0798 182 -77.1963 183 -77.3679 184 -74.5388 185 -75.3356
186 -75.6635 187 -75.6051 188 -76.0514 189 -76.0349 190 -76.3927
191 -75.7060 192 -75.9913 193 -75.7157 194 -75.9201 195 -75.7261
196 -76.0774 197 -75.5646 198 -75.2669 199 -75.5437 200 -75.5729
201 -76.0445 202 -76.1218 203 -75.4925 204 -75.6051 205 -75.6106
206 -75.5282 207 -75.3223 208 -75.6523 209 -75.3093 210 -75.5394
211 -75.7529 212 -75.6225 213 -75.7016 214 -75.7301 215 -75.8161
216 -74.6563 217 -37.2393 218 -37.4740 219 -37.1972 220 -37.4879
221 -37.2417 222 -37.2295 223 -37.4648 224 -37.4287 225 -37.3667
226 -37.1866 227 -37.0549 228 -37.2312 229 -36.8666 230 -37.1596
231 -36.7790 232 -37.2643 233 -37.4729 234 -37.3370 235 -37.3183
236 -37.7038 237 -37.4674 238 -37.3279 239 -37.5081 240 -37.4420
241 -37.2545 242 -37.6784 243 -37.5961 244 -37.6966 245 -37.0817
246 -37.4310 247 -37.2618 248 -37.0674 249 -36.8369 250 -36.6041
251 -37.4757 252 -37.3866 253 -37.2126 254 -37.5230 255 -37.3850
256 -38.7300 257 -37.0763 258 -37.4899 259 -37.4606 260 -37.2789
261 -37.6096 262 -37.2718 263 -36.4622 264 -36.9312 265 -36.9843
266 -37.2246 267 -37.2443 268 -37.4549 269 -37.0888 270 -37.7613
271 -37.5307 272 -37.7717 273 -37.0306 274 -37.3126 275 -37.3429
276 -37.0768 277 -37.5370 278 -37.1554 279 -37.3434 280 -37.4893
281 -37.3373 282 -37.4231 283 -37.1972 284 -37.0972 285 -37.2517
286 -36.8418 287 -36.9955 288 -36.8206 289 -37.1721 290 -37.4691
291 -37.3545 292 -37.3772 293 -37.4548 294 -37.5938 295 -37.2082
296 -37.3701 297 -37.4726 298 -37.4495 299 -37.6440 300 -37.8250
301 -37.6927 302 -37.1542 303 -37.3485 304 -37.2969 305 -37.0794
306 -36.8528 307 -36.7071 308 -37.4747 309 -37.4817 310 -37.3408
311 -37.5535 312 -37.3966 313 -38.6739 314 -37.1137 315 -37.3367
316 -37.3963 317 -37.2657 318 -37.6674 319 -37.3550 320 -36.6411
321 -36.9438 322 -37.1448 323 -37.2520 324 -37.1873 325 -37.5009
326 -37.2235 327 -37.7474 328 -37.5370 329 -37.7030 330 -36.9573
331 -37.2895 332 -36.7383 333 -36.6946 334 -37.1746 335 -37.1764
336 -36.9000 337 -36.7975 338 -37.4695 339 -36.6233 340 -37.0049
341 -35.7915 342 -35.9422 343 -35.7494 344 -35.7266 345 -35.2964
346 -35.6503 347 -35.8434 348 -35.9249 349 -35.7305 350 -35.8488
351 -40.0219 352 -40.1462 353 -39.2629 354 -36.6020 355 -36.4704
356 -36.4716 357 -39.6743 358 -40.4174 359 -40.3843 360 -37.0657
361 -36.9205 362 -37.0043 363 -39.5153 364 -39.7622 365 -39.7027
366 -36.9006 367 -37.1314 368 -37.0061
E-fermi : 0.2589 XC(G=0): -6.9165 alpha+bet : -6.2087
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.4178 2.00000
2 -20.9059 2.00000
3 -20.7139 2.00000
4 -20.5613 2.00000
5 -20.5590 2.00000
6 -20.5006 2.00000
7 -20.4863 2.00000
8 -20.4351 2.00000
9 -20.4095 2.00000
10 -20.3742 2.00000
11 -20.3580 2.00000
12 -20.3249 2.00000
13 -20.2118 2.00000
14 -20.2066 2.00000
15 -20.1408 2.00000
16 -20.0589 2.00000
17 -20.0384 2.00000
18 -20.0271 2.00000
19 -20.0021 2.00000
20 -19.9983 2.00000
21 -19.9778 2.00000
22 -19.9745 2.00000
23 -19.9453 2.00000
24 -19.9350 2.00000
25 -19.9267 2.00000
26 -19.8937 2.00000
27 -19.8912 2.00000
28 -19.8576 2.00000
29 -19.8448 2.00000
30 -19.8269 2.00000
31 -19.7995 2.00000
32 -19.7639 2.00000
33 -19.7434 2.00000
34 -19.7375 2.00000
35 -19.7204 2.00000
36 -19.6655 2.00000
37 -19.6252 2.00000
38 -19.6002 2.00000
39 -19.5855 2.00000
40 -19.5666 2.00000
41 -19.5339 2.00000
42 -19.5097 2.00000
43 -19.4959 2.00000
44 -19.4802 2.00000
45 -19.4505 2.00000
46 -19.4348 2.00000
47 -19.4279 2.00000
48 -19.3614 2.00000
49 -19.3443 2.00000
50 -19.3392 2.00000
51 -19.3257 2.00000
52 -19.3195 2.00000
53 -19.3055 2.00000
54 -19.2760 2.00000
55 -19.2690 2.00000
56 -19.2557 2.00000
57 -19.2264 2.00000
58 -19.2237 2.00000
59 -19.2042 2.00000
60 -19.1971 2.00000
61 -19.1793 2.00000
62 -19.1678 2.00000
63 -19.1501 2.00000
64 -19.1409 2.00000
65 -19.1328 2.00000
66 -19.1197 2.00000
67 -19.1044 2.00000
68 -19.1014 2.00000
69 -19.0761 2.00000
70 -19.0536 2.00000
71 -19.0451 2.00000
72 -19.0221 2.00000
73 -19.0027 2.00000
74 -18.9861 2.00000
75 -18.9722 2.00000
76 -18.9688 2.00000
77 -18.9420 2.00000
78 -18.9278 2.00000
79 -18.9255 2.00000
80 -18.9057 2.00000
81 -18.8825 2.00000
82 -18.8331 2.00000
83 -18.7697 2.00000
84 -18.6454 2.00000
85 -18.0890 2.00000
86 -17.8282 2.00000
87 -15.6563 2.00000
88 -13.9966 2.00000
89 -13.3364 2.00000
90 -13.2079 2.00000
91 -13.1215 2.00000
92 -13.1127 2.00000
93 -13.0309 2.00000
94 -13.0015 2.00000
95 -12.9782 2.00000
96 -12.9464 2.00000
97 -12.9236 2.00000
98 -12.9035 2.00000
99 -12.8918 2.00000
100 -12.8623 2.00000
101 -12.8528 2.00000
102 -12.7935 2.00000
103 -12.7491 2.00000
104 -12.7425 2.00000
105 -12.6911 2.00000
106 -12.6680 2.00000
107 -12.5889 2.00000
108 -12.5728 2.00000
109 -12.5479 2.00000
110 -12.5326 2.00000
111 -12.4999 2.00000
112 -12.4633 2.00000
113 -12.4545 2.00000
114 -12.4359 2.00000
115 -12.4200 2.00000
116 -12.3714 2.00000
117 -12.3499 2.00000
118 -12.3243 2.00000
119 -12.2827 2.00000
120 -12.2809 2.00000
121 -12.2549 2.00000
122 -12.2471 2.00000
123 -12.1881 2.00000
124 -12.1806 2.00000
125 -12.1751 2.00000
126 -12.1031 2.00000
127 -12.0762 2.00000
128 -12.0576 2.00000
129 -12.0342 2.00000
130 -12.0283 2.00000
131 -12.0153 2.00000
132 -12.0089 2.00000
133 -11.9869 2.00000
134 -11.9637 2.00000
135 -11.9014 2.00000
136 -11.8665 2.00000
137 -11.8567 2.00000
138 -11.8361 2.00000
139 -11.8311 2.00000
140 -11.8130 2.00000
141 -11.7924 2.00000
142 -11.7526 2.00000
143 -11.7169 2.00000
144 -11.6334 2.00000
145 -11.5689 2.00000
146 -11.5300 2.00000
147 -11.4594 2.00000
148 -10.8893 2.00000
149 -10.7367 2.00000
150 -10.4962 2.00000
151 -10.3925 2.00000
152 -10.2502 2.00000
153 -10.1814 2.00000
154 -10.1371 2.00000
155 -10.0706 2.00000
156 -9.9377 2.00000
157 -9.9247 2.00000
158 -9.8298 2.00000
159 -9.7734 2.00000
160 -9.7466 2.00000
161 -9.7303 2.00000
162 -9.6964 2.00000
163 -9.6088 2.00000
164 -9.6040 2.00000
165 -9.5061 2.00000
166 -9.4647 2.00000
167 -9.4333 2.00000
168 -9.3334 2.00000
169 -9.3272 2.00000
170 -9.3000 2.00000
171 -9.2290 2.00000
172 -9.1506 2.00000
173 -9.1375 2.00000
174 -9.0875 2.00000
175 -9.0304 2.00000
176 -8.9661 2.00000
177 -8.9347 2.00000
178 -8.8436 2.00000
179 -8.8028 2.00000
180 -8.7644 2.00000
181 -8.7049 2.00000
182 -8.6893 2.00000
183 -8.6576 2.00000
184 -8.6139 2.00000
185 -8.4840 2.00000
186 -8.4476 2.00000
187 -8.3838 2.00000
188 -8.3754 2.00000
189 -8.3128 2.00000
190 -8.2820 2.00000
191 -8.2302 2.00000
192 -8.1868 2.00000
193 -8.0854 2.00000
194 -8.0725 2.00000
195 -8.0362 2.00000
196 -7.9771 2.00000
197 -7.9347 2.00000
198 -7.9190 2.00000
199 -7.8601 2.00000
200 -7.8119 2.00000
201 -7.7752 2.00000
202 -7.7669 2.00000
203 -7.7573 2.00000
204 -7.7126 2.00000
205 -7.7051 2.00000
206 -7.6918 2.00000
207 -7.6204 2.00000
208 -7.5872 2.00000
209 -7.5647 2.00000
210 -7.5010 2.00000
211 -7.4240 2.00000
212 -7.3906 2.00000
213 -7.3477 2.00000
214 -7.3006 2.00000
215 -7.2743 2.00000
216 -7.2568 2.00000
217 -7.2438 2.00000
218 -7.2214 2.00000
219 -7.1831 2.00000
220 -7.1647 2.00000
221 -7.1469 2.00000
222 -7.1004 2.00000
223 -7.0674 2.00000
224 -7.0544 2.00000
225 -7.0294 2.00000
226 -7.0175 2.00000
227 -6.9795 2.00000
228 -6.9343 2.00000
229 -6.9063 2.00000
230 -6.8622 2.00000
231 -6.7985 2.00000
232 -6.7279 2.00000
233 -6.7218 2.00000
234 -6.5980 2.00000
235 -6.3325 2.00000
236 -6.2788 2.00000
237 -6.2755 2.00000
238 -6.2652 2.00000
239 -6.2136 2.00000
240 -6.1956 2.00000
241 -6.1895 2.00000
242 -6.1168 2.00000
243 -6.1065 2.00000
244 -6.0925 2.00000
245 -6.0810 2.00000
246 -6.0666 2.00000
247 -6.0495 2.00000
248 -6.0322 2.00000
249 -6.0025 2.00000
250 -5.9816 2.00000
251 -5.9451 2.00000
252 -5.9297 2.00000
253 -5.9186 2.00000
254 -5.9034 2.00000
255 -5.8925 2.00000
256 -5.8672 2.00000
257 -5.8611 2.00000
258 -5.8508 2.00000
259 -5.8206 2.00000
260 -5.8113 2.00000
261 -5.7908 2.00000
262 -5.7856 2.00000
263 -5.7695 2.00000
264 -5.7564 2.00000
265 -5.7350 2.00000
266 -5.7171 2.00000
267 -5.7026 2.00000
268 -5.6961 2.00000
269 -5.6855 2.00000
270 -5.6660 2.00000
271 -5.6581 2.00000
272 -5.6264 2.00000
273 -5.6143 2.00000
274 -5.6067 2.00000
275 -5.5764 2.00000
276 -5.5630 2.00000
277 -5.5483 2.00000
278 -5.5368 2.00000
279 -5.5261 2.00000
280 -5.5061 2.00000
281 -5.4979 2.00000
282 -5.4860 2.00000
283 -5.4790 2.00000
284 -5.4663 2.00000
285 -5.4629 2.00000
286 -5.4549 2.00000
287 -5.4243 2.00000
288 -5.4184 2.00000
289 -5.4164 2.00000
290 -5.3959 2.00000
291 -5.3836 2.00000
292 -5.3734 2.00000
293 -5.3694 2.00000
294 -5.3451 2.00000
295 -5.3435 2.00000
296 -5.3233 2.00000
297 -5.3129 2.00000
298 -5.2980 2.00000
299 -5.2847 2.00000
300 -5.2706 2.00000
301 -5.2423 2.00000
302 -5.2365 2.00000
303 -5.2237 2.00000
304 -5.2119 2.00000
305 -5.2027 2.00000
306 -5.1933 2.00000
307 -5.1580 2.00000
308 -5.1518 2.00000
309 -5.1436 2.00000
310 -5.1329 2.00000
311 -5.1256 2.00000
312 -5.1052 2.00000
313 -5.0956 2.00000
314 -5.0918 2.00000
315 -5.0650 2.00000
316 -5.0555 2.00000
317 -5.0526 2.00000
318 -5.0304 2.00000
319 -4.9920 2.00000
320 -4.9694 2.00000
321 -4.9682 2.00000
322 -4.9555 2.00000
323 -4.9467 2.00000
324 -4.9349 2.00000
325 -4.9225 2.00000
326 -4.8918 2.00000
327 -4.8811 2.00000
328 -4.8730 2.00000
329 -4.8632 2.00000
330 -4.8530 2.00000
331 -4.8376 2.00000
332 -4.8298 2.00000
333 -4.8182 2.00000
334 -4.8092 2.00000
335 -4.7940 2.00000
336 -4.7885 2.00000
337 -4.7848 2.00000
338 -4.7728 2.00000
339 -4.7538 2.00000
340 -4.7511 2.00000
341 -4.7432 2.00000
342 -4.7337 2.00000
343 -4.7191 2.00000
344 -4.7096 2.00000
345 -4.6966 2.00000
346 -4.6873 2.00000
347 -4.6756 2.00000
348 -4.6695 2.00000
349 -4.6383 2.00000
350 -4.6281 2.00000
351 -4.6110 2.00000
352 -4.6078 2.00000
353 -4.5960 2.00000
354 -4.5845 2.00000
355 -4.5759 2.00000
356 -4.5736 2.00000
357 -4.5528 2.00000
358 -4.5386 2.00000
359 -4.5251 2.00000
360 -4.5070 2.00000
361 -4.4949 2.00000
362 -4.4911 2.00000
363 -4.4813 2.00000
364 -4.4737 2.00000
365 -4.4553 2.00000
366 -4.4398 2.00000
367 -4.4217 2.00000
368 -4.4084 2.00000
369 -4.4029 2.00000
370 -4.3861 2.00000
371 -4.3566 2.00000
372 -4.3456 2.00000
373 -4.3391 2.00000
374 -4.3212 2.00000
375 -4.2956 2.00000
376 -4.2939 2.00000
377 -4.2826 2.00000
378 -4.2722 2.00000
379 -4.2625 2.00000
380 -4.2548 2.00000
381 -4.2375 2.00000
382 -4.2367 2.00000
383 -4.2186 2.00000
384 -4.2117 2.00000
385 -4.2072 2.00000
386 -4.1901 2.00000
387 -4.1803 2.00000
388 -4.1677 2.00000
389 -4.1433 2.00000
390 -4.1316 2.00000
391 -4.1267 2.00000
392 -4.1149 2.00000
393 -4.1065 2.00000
394 -4.0859 2.00000
395 -4.0741 2.00000
396 -4.0702 2.00000
397 -4.0535 2.00000
398 -4.0407 2.00000
399 -4.0355 2.00000
400 -4.0229 2.00000
401 -4.0153 2.00000
402 -4.0010 2.00000
403 -3.9953 2.00000
404 -3.9748 2.00000
405 -3.9589 2.00000
406 -3.9432 2.00000
407 -3.9380 2.00000
408 -3.9229 2.00000
409 -3.9039 2.00000
410 -3.9020 2.00000
411 -3.8758 2.00000
412 -3.8551 2.00000
413 -3.8417 2.00000
414 -3.8362 2.00000
415 -3.8251 2.00000
416 -3.7950 2.00000
417 -3.7880 2.00000
418 -3.7698 2.00000
419 -3.7607 2.00000
420 -3.7516 2.00000
421 -3.7369 2.00000
422 -3.7193 2.00000
423 -3.7111 2.00000
424 -3.6979 2.00000
425 -3.6901 2.00000
426 -3.6847 2.00000
427 -3.6757 2.00000
428 -3.6667 2.00000
429 -3.6559 2.00000
430 -3.6555 2.00000
431 -3.6502 2.00000
432 -3.6216 2.00000
433 -3.6141 2.00000
434 -3.6077 2.00000
435 -3.5918 2.00000
436 -3.5894 2.00000
437 -3.5763 2.00000
438 -3.5538 2.00000
439 -3.5490 2.00000
440 -3.5438 2.00000
441 -3.5194 2.00000
442 -3.5068 2.00000
443 -3.4988 2.00000
444 -3.4873 2.00000
445 -3.4798 2.00000
446 -3.4676 2.00000
447 -3.4427 2.00000
448 -3.4366 2.00000
449 -3.4341 2.00000
450 -3.4125 2.00000
451 -3.4043 2.00000
452 -3.3983 2.00000
453 -3.3895 2.00000
454 -3.3634 2.00000
455 -3.3593 2.00000
456 -3.3548 2.00000
457 -3.3402 2.00000
458 -3.3269 2.00000
459 -3.3136 2.00000
460 -3.2973 2.00000
461 -3.2955 2.00000
462 -3.2878 2.00000
463 -3.2670 2.00000
464 -3.2668 2.00000
465 -3.2609 2.00000
466 -3.2505 2.00000
467 -3.2314 2.00000
468 -3.2243 2.00000
469 -3.2051 2.00000
470 -3.1997 2.00000
471 -3.1861 2.00000
472 -3.1675 2.00000
473 -3.1652 2.00000
474 -3.1585 2.00000
475 -3.1337 2.00000
476 -3.1294 2.00000
477 -3.1239 2.00000
478 -3.1203 2.00000
479 -3.1013 2.00000
480 -3.0908 2.00000
481 -3.0775 2.00000
482 -3.0736 2.00000
483 -3.0651 2.00000
484 -3.0472 2.00000
485 -3.0287 2.00000
486 -3.0213 2.00000
487 -3.0148 2.00000
488 -3.0035 2.00000
489 -2.9770 2.00000
490 -2.9611 2.00000
491 -2.9593 2.00000
492 -2.9540 2.00000
493 -2.9411 2.00000
494 -2.9247 2.00000
495 -2.9164 2.00000
496 -2.9136 2.00000
497 -2.8869 2.00000
498 -2.8792 2.00000
499 -2.8678 2.00000
500 -2.8550 2.00000
501 -2.8444 2.00000
502 -2.8388 2.00000
503 -2.8305 2.00000
504 -2.8259 2.00000
505 -2.8062 2.00000
506 -2.8028 2.00000
507 -2.7892 2.00000
508 -2.7789 2.00000
509 -2.7716 2.00000
510 -2.7482 2.00000
511 -2.7440 2.00000
512 -2.7327 2.00000
513 -2.7176 2.00000
514 -2.6982 2.00000
515 -2.6771 2.00000
516 -2.6707 2.00000
517 -2.6659 2.00000
518 -2.6625 2.00000
519 -2.6487 2.00000
520 -2.6388 2.00000
521 -2.6286 2.00000
522 -2.6241 2.00000
523 -2.6081 2.00000
524 -2.5738 2.00000
525 -2.5613 2.00000
526 -2.5512 2.00000
527 -2.5419 2.00000
528 -2.5262 2.00000
529 -2.5195 2.00000
530 -2.5148 2.00000
531 -2.5070 2.00000
532 -2.4968 2.00000
533 -2.4787 2.00000
534 -2.4642 2.00000
535 -2.4559 2.00000
536 -2.4403 2.00000
537 -2.4203 2.00000
538 -2.4068 2.00000
539 -2.3973 2.00000
540 -2.3747 2.00000
541 -2.3713 2.00000
542 -2.3495 2.00000
543 -2.3432 2.00000
544 -2.3272 2.00000
545 -2.3013 2.00000
546 -2.2927 2.00000
547 -2.2848 2.00000
548 -2.2584 2.00000
549 -2.2491 2.00000
550 -2.2322 2.00000
551 -2.2089 2.00000
552 -2.2022 2.00000
553 -2.1741 2.00000
554 -2.1640 2.00000
555 -2.1501 2.00000
556 -2.1388 2.00000
557 -2.1317 2.00000
558 -2.1235 2.00000
559 -2.1006 2.00000
560 -2.0982 2.00000
561 -2.0857 2.00000
562 -2.0605 2.00000
563 -2.0416 2.00000
564 -2.0311 2.00000
565 -2.0201 2.00000
566 -2.0036 2.00000
567 -1.9951 2.00000
568 -1.9642 2.00000
569 -1.9455 2.00000
570 -1.9374 2.00000
571 -1.9095 2.00000
572 -1.9026 2.00000
573 -1.8801 2.00000
574 -1.8777 2.00000
575 -1.8478 2.00000
576 -1.8325 2.00000
577 -1.8164 2.00000
578 -1.7921 2.00000
579 -1.7797 2.00000
580 -1.7786 2.00000
581 -1.7599 2.00000
582 -1.7515 2.00000
583 -1.7339 2.00000
584 -1.7049 2.00000
585 -1.6947 2.00000
586 -1.6629 2.00000
587 -1.6265 2.00000
588 -1.5986 2.00000
589 -1.4875 2.00000
590 -1.4198 2.00000
591 -1.3892 2.00000
592 -1.3571 2.00000
593 -1.2959 2.00000
594 0.0288 2.00000
595 0.2583 2.00000
596 1.5099 0.00000
597 1.7831 0.00000
598 2.6731 0.00000
599 2.9303 0.00000
600 3.1385 0.00000
601 3.2614 0.00000
602 3.3961 0.00000
603 3.4358 0.00000
604 3.5204 0.00000
605 3.5794 0.00000
606 3.5894 0.00000
607 3.6437 0.00000
608 3.7039 0.00000
609 3.7561 0.00000
610 3.8064 0.00000
611 3.8228 0.00000
612 3.8667 0.00000
613 3.8897 0.00000
614 3.9255 0.00000
615 3.9664 0.00000
616 4.0339 0.00000
617 4.0700 0.00000
618 4.0842 0.00000
619 4.0888 0.00000
620 4.1262 0.00000
621 4.1526 0.00000
622 4.1586 0.00000
623 4.1894 0.00000
624 4.2016 0.00000
625 4.2126 0.00000
626 4.2431 0.00000
627 4.2766 0.00000
628 4.2889 0.00000
629 4.3366 0.00000
630 4.3541 0.00000
631 4.3882 0.00000
632 4.4116 0.00000
633 4.4286 0.00000
634 4.4470 0.00000
635 4.4746 0.00000
636 4.5033 0.00000
637 4.5190 0.00000
638 4.5357 0.00000
639 4.5615 0.00000
640 4.5912 0.00000
641 4.6124 0.00000
642 4.6226 0.00000
643 4.6370 0.00000
644 4.6445 0.00000
645 4.6722 0.00000
646 4.6945 0.00000
647 4.6948 0.00000
648 4.7053 0.00000
649 4.7343 0.00000
650 4.7472 0.00000
651 4.7891 0.00000
652 4.8080 0.00000
653 4.8300 0.00000
654 4.8505 0.00000
655 4.8663 0.00000
656 4.8711 0.00000
657 4.8815 0.00000
658 4.8928 0.00000
659 4.9168 0.00000
660 4.9257 0.00000
661 4.9386 0.00000
662 4.9587 0.00000
663 4.9868 0.00000
664 4.9898 0.00000
665 5.0097 0.00000
666 5.0232 0.00000
667 5.0375 0.00000
668 5.0403 0.00000
669 5.0659 0.00000
670 5.0716 0.00000
671 5.0879 0.00000
672 5.1070 0.00000
673 5.1112 0.00000
674 5.1364 0.00000
675 5.1541 0.00000
676 5.1685 0.00000
677 5.1938 0.00000
678 5.2076 0.00000
679 5.2149 0.00000
680 5.2429 0.00000
681 5.2573 0.00000
682 5.2635 0.00000
683 5.2797 0.00000
684 5.2860 0.00000
685 5.2990 0.00000
686 5.3078 0.00000
687 5.3256 0.00000
688 5.3313 0.00000
689 5.3366 0.00000
690 5.3396 0.00000
691 5.3742 0.00000
692 5.3799 0.00000
693 5.3929 0.00000
694 5.4039 0.00000
695 5.4203 0.00000
696 5.4331 0.00000
697 5.4437 0.00000
698 5.4651 0.00000
699 5.4730 0.00000
700 5.4765 0.00000
701 5.4962 0.00000
702 5.5023 0.00000
703 5.5152 0.00000
704 5.5304 0.00000
705 5.5418 0.00000
706 5.5753 0.00000
707 5.5766 0.00000
708 5.6050 0.00000
709 5.6088 0.00000
710 5.6228 0.00000
711 5.6308 0.00000
712 5.6521 0.00000
713 5.6607 0.00000
714 5.6925 0.00000
715 5.7077 0.00000
716 5.7192 0.00000
717 5.7395 0.00000
718 5.7491 0.00000
719 5.7654 0.00000
720 5.7739 0.00000
721 5.7802 0.00000
722 5.8005 0.00000
723 5.8129 0.00000
724 5.8301 0.00000
725 5.8339 0.00000
726 5.8544 0.00000
727 5.8814 0.00000
728 5.8920 0.00000
729 5.9056 0.00000
730 5.9123 0.00000
731 5.9325 0.00000
732 5.9433 0.00000
733 5.9538 0.00000
734 5.9696 0.00000
735 6.0020 0.00000
736 6.0090 0.00000
737 6.0093 0.00000
738 6.0312 0.00000
739 6.0463 0.00000
740 6.0503 0.00000
741 6.0679 0.00000
742 6.0877 0.00000
743 6.0955 0.00000
744 6.1061 0.00000
745 6.1106 0.00000
746 6.1148 0.00000
747 6.1577 0.00000
748 6.1795 0.00000
749 6.1964 0.00000
750 6.2058 0.00000
751 6.2063 0.00000
752 6.2298 0.00000
753 6.2417 0.00000
754 6.2511 0.00000
755 6.2679 0.00000
756 6.2833 0.00000
757 6.2880 0.00000
758 6.3157 0.00000
759 6.3189 0.00000
760 6.3284 0.00000
761 6.3338 0.00000
762 6.3740 0.00000
763 6.3822 0.00000
764 6.3867 0.00000
765 6.4053 0.00000
766 6.4179 0.00000
767 6.4351 0.00000
768 6.4447 0.00000
769 6.4664 0.00000
770 6.4695 0.00000
771 6.4911 0.00000
772 6.4989 0.00000
773 6.5072 0.00000
774 6.5321 0.00000
775 6.5470 0.00000
776 6.5687 0.00000
777 6.5807 0.00000
778 6.6070 0.00000
779 6.6246 0.00000
780 6.6536 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -21.4177 2.00000
2 -20.9058 2.00000
3 -20.7138 2.00000
4 -20.5612 2.00000
5 -20.5590 2.00000
6 -20.5003 2.00000
7 -20.4862 2.00000
8 -20.4354 2.00000
9 -20.4094 2.00000
10 -20.3736 2.00000
11 -20.3580 2.00000
12 -20.3250 2.00000
13 -20.2117 2.00000
14 -20.2066 2.00000
15 -20.1405 2.00000
16 -20.0587 2.00000
17 -20.0382 2.00000
18 -20.0269 2.00000
19 -20.0019 2.00000
20 -19.9985 2.00000
21 -19.9777 2.00000
22 -19.9730 2.00000
23 -19.9452 2.00000
24 -19.9359 2.00000
25 -19.9315 2.00000
26 -19.8945 2.00000
27 -19.8912 2.00000
28 -19.8542 2.00000
29 -19.8365 2.00000
30 -19.8257 2.00000
31 -19.8030 2.00000
32 -19.7684 2.00000
33 -19.7434 2.00000
34 -19.7373 2.00000
35 -19.7203 2.00000
36 -19.6658 2.00000
37 -19.6254 2.00000
38 -19.6000 2.00000
39 -19.5863 2.00000
40 -19.5665 2.00000
41 -19.5343 2.00000
42 -19.5057 2.00000
43 -19.4958 2.00000
44 -19.4762 2.00000
45 -19.4554 2.00000
46 -19.4372 2.00000
47 -19.4265 2.00000
48 -19.3594 2.00000
49 -19.3440 2.00000
50 -19.3400 2.00000
51 -19.3290 2.00000
52 -19.3217 2.00000
53 -19.3029 2.00000
54 -19.2726 2.00000
55 -19.2680 2.00000
56 -19.2553 2.00000
57 -19.2264 2.00000
58 -19.2220 2.00000
59 -19.2013 2.00000
60 -19.1971 2.00000
61 -19.1738 2.00000
62 -19.1692 2.00000
63 -19.1632 2.00000
64 -19.1464 2.00000
65 -19.1242 2.00000
66 -19.1195 2.00000
67 -19.1103 2.00000
68 -19.1038 2.00000
69 -19.0754 2.00000
70 -19.0451 2.00000
71 -19.0444 2.00000
72 -19.0221 2.00000
73 -19.0019 2.00000
74 -18.9878 2.00000
75 -18.9709 2.00000
76 -18.9684 2.00000
77 -18.9425 2.00000
78 -18.9290 2.00000
79 -18.9254 2.00000
80 -18.9056 2.00000
81 -18.8824 2.00000
82 -18.8332 2.00000
83 -18.7696 2.00000
84 -18.6453 2.00000
85 -18.0889 2.00000
86 -17.8281 2.00000
87 -15.6562 2.00000
88 -13.9967 2.00000
89 -13.3339 2.00000
90 -13.2089 2.00000
91 -13.1228 2.00000
92 -13.1145 2.00000
93 -13.0341 2.00000
94 -12.9997 2.00000
95 -12.9790 2.00000
96 -12.9443 2.00000
97 -12.9257 2.00000
98 -12.9017 2.00000
99 -12.8901 2.00000
100 -12.8605 2.00000
101 -12.8514 2.00000
102 -12.7908 2.00000
103 -12.7561 2.00000
104 -12.7361 2.00000
105 -12.7010 2.00000
106 -12.6584 2.00000
107 -12.5965 2.00000
108 -12.5784 2.00000
109 -12.5363 2.00000
110 -12.5217 2.00000
111 -12.5097 2.00000
112 -12.4665 2.00000
113 -12.4544 2.00000
114 -12.4350 2.00000
115 -12.4230 2.00000
116 -12.3730 2.00000
117 -12.3473 2.00000
118 -12.3229 2.00000
119 -12.2815 2.00000
120 -12.2805 2.00000
121 -12.2604 2.00000
122 -12.2427 2.00000
123 -12.1929 2.00000
124 -12.1800 2.00000
125 -12.1702 2.00000
126 -12.1060 2.00000
127 -12.0812 2.00000
128 -12.0580 2.00000
129 -12.0343 2.00000
130 -12.0222 2.00000
131 -12.0152 2.00000
132 -12.0046 2.00000
133 -11.9905 2.00000
134 -11.9638 2.00000
135 -11.9014 2.00000
136 -11.8669 2.00000
137 -11.8556 2.00000
138 -11.8369 2.00000
139 -11.8318 2.00000
140 -11.8125 2.00000
141 -11.7923 2.00000
142 -11.7513 2.00000
143 -11.7179 2.00000
144 -11.6332 2.00000
145 -11.5713 2.00000
146 -11.5274 2.00000
147 -11.4599 2.00000
148 -10.8704 2.00000
149 -10.7544 2.00000
150 -10.4947 2.00000
151 -10.3700 2.00000
152 -10.2534 2.00000
153 -10.2140 2.00000
154 -10.1384 2.00000
155 -10.0656 2.00000
156 -9.9795 2.00000
157 -9.8829 2.00000
158 -9.8033 2.00000
159 -9.7923 2.00000
160 -9.7745 2.00000
161 -9.7226 2.00000
162 -9.6786 2.00000
163 -9.6242 2.00000
164 -9.5878 2.00000
165 -9.5001 2.00000
166 -9.4489 2.00000
167 -9.4086 2.00000
168 -9.3779 2.00000
169 -9.3426 2.00000
170 -9.2909 2.00000
171 -9.2288 2.00000
172 -9.1745 2.00000
173 -9.1201 2.00000
174 -9.0631 2.00000
175 -9.0113 2.00000
176 -8.9887 2.00000
177 -8.9392 2.00000
178 -8.8654 2.00000
179 -8.8344 2.00000
180 -8.7377 2.00000
181 -8.7016 2.00000
182 -8.6636 2.00000
183 -8.6473 2.00000
184 -8.5954 2.00000
185 -8.4789 2.00000
186 -8.4242 2.00000
187 -8.3959 2.00000
188 -8.3719 2.00000
189 -8.3415 2.00000
190 -8.3307 2.00000
191 -8.2296 2.00000
192 -8.1818 2.00000
193 -8.0799 2.00000
194 -8.0563 2.00000
195 -8.0309 2.00000
196 -7.9657 2.00000
197 -7.9354 2.00000
198 -7.9191 2.00000
199 -7.8591 2.00000
200 -7.8385 2.00000
201 -7.8088 2.00000
202 -7.7636 2.00000
203 -7.7505 2.00000
204 -7.7344 2.00000
205 -7.7044 2.00000
206 -7.6764 2.00000
207 -7.6426 2.00000
208 -7.5902 2.00000
209 -7.4975 2.00000
210 -7.4854 2.00000
211 -7.4116 2.00000
212 -7.3808 2.00000
213 -7.3583 2.00000
214 -7.3298 2.00000
215 -7.2794 2.00000
216 -7.2626 2.00000
217 -7.2365 2.00000
218 -7.2191 2.00000
219 -7.1792 2.00000
220 -7.1530 2.00000
221 -7.1360 2.00000
222 -7.1015 2.00000
223 -7.0647 2.00000
224 -7.0531 2.00000
225 -7.0387 2.00000
226 -7.0180 2.00000
227 -6.9766 2.00000
228 -6.9508 2.00000
229 -6.9089 2.00000
230 -6.8675 2.00000
231 -6.7980 2.00000
232 -6.7281 2.00000
233 -6.7209 2.00000
234 -6.6038 2.00000
235 -6.3284 2.00000
236 -6.2887 2.00000
237 -6.2749 2.00000
238 -6.2617 2.00000
239 -6.2060 2.00000
240 -6.1924 2.00000
241 -6.1857 2.00000
242 -6.1131 2.00000
243 -6.1086 2.00000
244 -6.1031 2.00000
245 -6.0777 2.00000
246 -6.0682 2.00000
247 -6.0425 2.00000
248 -6.0317 2.00000
249 -6.0051 2.00000
250 -5.9825 2.00000
251 -5.9408 2.00000
252 -5.9331 2.00000
253 -5.9184 2.00000
254 -5.9060 2.00000
255 -5.9013 2.00000
256 -5.8665 2.00000
257 -5.8606 2.00000
258 -5.8480 2.00000
259 -5.8254 2.00000
260 -5.8115 2.00000
261 -5.7839 2.00000
262 -5.7731 2.00000
263 -5.7676 2.00000
264 -5.7658 2.00000
265 -5.7533 2.00000
266 -5.7301 2.00000
267 -5.7043 2.00000
268 -5.6828 2.00000
269 -5.6754 2.00000
270 -5.6619 2.00000
271 -5.6431 2.00000
272 -5.6138 2.00000
273 -5.6001 2.00000
274 -5.5895 2.00000
275 -5.5767 2.00000
276 -5.5660 2.00000
277 -5.5570 2.00000
278 -5.5406 2.00000
279 -5.5342 2.00000
280 -5.5212 2.00000
281 -5.5054 2.00000
282 -5.4920 2.00000
283 -5.4792 2.00000
284 -5.4730 2.00000
285 -5.4567 2.00000
286 -5.4437 2.00000
287 -5.4315 2.00000
288 -5.4161 2.00000
289 -5.4127 2.00000
290 -5.3944 2.00000
291 -5.3834 2.00000
292 -5.3769 2.00000
293 -5.3725 2.00000
294 -5.3600 2.00000
295 -5.3476 2.00000
296 -5.3175 2.00000
297 -5.2996 2.00000
298 -5.2955 2.00000
299 -5.2854 2.00000
300 -5.2750 2.00000
301 -5.2426 2.00000
302 -5.2378 2.00000
303 -5.2287 2.00000
304 -5.2230 2.00000
305 -5.2065 2.00000
306 -5.1940 2.00000
307 -5.1728 2.00000
308 -5.1571 2.00000
309 -5.1368 2.00000
310 -5.1298 2.00000
311 -5.1192 2.00000
312 -5.1036 2.00000
313 -5.0946 2.00000
314 -5.0760 2.00000
315 -5.0697 2.00000
316 -5.0554 2.00000
317 -5.0406 2.00000
318 -5.0035 2.00000
319 -4.9935 2.00000
320 -4.9894 2.00000
321 -4.9684 2.00000
322 -4.9533 2.00000
323 -4.9419 2.00000
324 -4.9371 2.00000
325 -4.9207 2.00000
326 -4.9077 2.00000
327 -4.8833 2.00000
328 -4.8729 2.00000
329 -4.8549 2.00000
330 -4.8503 2.00000
331 -4.8340 2.00000
332 -4.8328 2.00000
333 -4.8275 2.00000
334 -4.8051 2.00000
335 -4.7987 2.00000
336 -4.7904 2.00000
337 -4.7826 2.00000
338 -4.7746 2.00000
339 -4.7608 2.00000
340 -4.7461 2.00000
341 -4.7401 2.00000
342 -4.7298 2.00000
343 -4.7174 2.00000
344 -4.7119 2.00000
345 -4.6991 2.00000
346 -4.6855 2.00000
347 -4.6810 2.00000
348 -4.6701 2.00000
349 -4.6467 2.00000
350 -4.6241 2.00000
351 -4.6127 2.00000
352 -4.6037 2.00000
353 -4.5926 2.00000
354 -4.5845 2.00000
355 -4.5780 2.00000
356 -4.5713 2.00000
357 -4.5508 2.00000
358 -4.5384 2.00000
359 -4.5278 2.00000
360 -4.5105 2.00000
361 -4.4988 2.00000
362 -4.4848 2.00000
363 -4.4811 2.00000
364 -4.4750 2.00000
365 -4.4476 2.00000
366 -4.4467 2.00000
367 -4.4198 2.00000
368 -4.4093 2.00000
369 -4.3840 2.00000
370 -4.3712 2.00000
371 -4.3591 2.00000
372 -4.3387 2.00000
373 -4.3240 2.00000
374 -4.3111 2.00000
375 -4.3018 2.00000
376 -4.2975 2.00000
377 -4.2902 2.00000
378 -4.2795 2.00000
379 -4.2680 2.00000
380 -4.2622 2.00000
381 -4.2452 2.00000
382 -4.2398 2.00000
383 -4.2233 2.00000
384 -4.2215 2.00000
385 -4.1920 2.00000
386 -4.1869 2.00000
387 -4.1745 2.00000
388 -4.1718 2.00000
389 -4.1646 2.00000
390 -4.1360 2.00000
391 -4.1150 2.00000
392 -4.1137 2.00000
393 -4.0992 2.00000
394 -4.0866 2.00000
395 -4.0742 2.00000
396 -4.0633 2.00000
397 -4.0567 2.00000
398 -4.0488 2.00000
399 -4.0337 2.00000
400 -4.0193 2.00000
401 -4.0037 2.00000
402 -3.9987 2.00000
403 -3.9893 2.00000
404 -3.9731 2.00000
405 -3.9635 2.00000
406 -3.9507 2.00000
407 -3.9422 2.00000
408 -3.9313 2.00000
409 -3.9223 2.00000
410 -3.8994 2.00000
411 -3.8694 2.00000
412 -3.8648 2.00000
413 -3.8480 2.00000
414 -3.8193 2.00000
415 -3.8145 2.00000
416 -3.8073 2.00000
417 -3.7775 2.00000
418 -3.7668 2.00000
419 -3.7611 2.00000
420 -3.7412 2.00000
421 -3.7343 2.00000
422 -3.7283 2.00000
423 -3.7135 2.00000
424 -3.7092 2.00000
425 -3.6978 2.00000
426 -3.6872 2.00000
427 -3.6760 2.00000
428 -3.6664 2.00000
429 -3.6531 2.00000
430 -3.6445 2.00000
431 -3.6301 2.00000
432 -3.6213 2.00000
433 -3.6171 2.00000
434 -3.6020 2.00000
435 -3.5950 2.00000
436 -3.5846 2.00000
437 -3.5683 2.00000
438 -3.5627 2.00000
439 -3.5374 2.00000
440 -3.5320 2.00000
441 -3.5261 2.00000
442 -3.5112 2.00000
443 -3.4927 2.00000
444 -3.4867 2.00000
445 -3.4838 2.00000
446 -3.4702 2.00000
447 -3.4553 2.00000
448 -3.4397 2.00000
449 -3.4322 2.00000
450 -3.4190 2.00000
451 -3.4060 2.00000
452 -3.3975 2.00000
453 -3.3841 2.00000
454 -3.3814 2.00000
455 -3.3648 2.00000
456 -3.3455 2.00000
457 -3.3373 2.00000
458 -3.3293 2.00000
459 -3.3263 2.00000
460 -3.3134 2.00000
461 -3.3010 2.00000
462 -3.2866 2.00000
463 -3.2754 2.00000
464 -3.2703 2.00000
465 -3.2509 2.00000
466 -3.2434 2.00000
467 -3.2352 2.00000
468 -3.2263 2.00000
469 -3.2033 2.00000
470 -3.1928 2.00000
471 -3.1847 2.00000
472 -3.1760 2.00000
473 -3.1600 2.00000
474 -3.1490 2.00000
475 -3.1374 2.00000
476 -3.1268 2.00000
477 -3.1193 2.00000
478 -3.1110 2.00000
479 -3.0962 2.00000
480 -3.0900 2.00000
481 -3.0769 2.00000
482 -3.0662 2.00000
483 -3.0583 2.00000
484 -3.0523 2.00000
485 -3.0355 2.00000
486 -3.0116 2.00000
487 -3.0005 2.00000
488 -2.9905 2.00000
489 -2.9863 2.00000
490 -2.9768 2.00000
491 -2.9634 2.00000
492 -2.9586 2.00000
493 -2.9528 2.00000
494 -2.9383 2.00000
495 -2.9271 2.00000
496 -2.9179 2.00000
497 -2.9022 2.00000
498 -2.8825 2.00000
499 -2.8576 2.00000
500 -2.8562 2.00000
501 -2.8478 2.00000
502 -2.8350 2.00000
503 -2.8220 2.00000
504 -2.8119 2.00000
505 -2.8083 2.00000
506 -2.8027 2.00000
507 -2.7952 2.00000
508 -2.7667 2.00000
509 -2.7461 2.00000
510 -2.7362 2.00000
511 -2.7258 2.00000
512 -2.7253 2.00000
513 -2.7034 2.00000
514 -2.6973 2.00000
515 -2.6828 2.00000
516 -2.6794 2.00000
517 -2.6666 2.00000
518 -2.6516 2.00000
519 -2.6432 2.00000
520 -2.6336 2.00000
521 -2.6313 2.00000
522 -2.6281 2.00000
523 -2.6000 2.00000
524 -2.5834 2.00000
525 -2.5671 2.00000
526 -2.5541 2.00000
527 -2.5456 2.00000
528 -2.5326 2.00000
529 -2.5305 2.00000
530 -2.5250 2.00000
531 -2.5103 2.00000
532 -2.4909 2.00000
533 -2.4749 2.00000
534 -2.4487 2.00000
535 -2.4426 2.00000
536 -2.4310 2.00000
537 -2.4278 2.00000
538 -2.4197 2.00000
539 -2.4003 2.00000
540 -2.3845 2.00000
541 -2.3786 2.00000
542 -2.3593 2.00000
543 -2.3413 2.00000
544 -2.3157 2.00000
545 -2.3124 2.00000
546 -2.2930 2.00000
547 -2.2690 2.00000
548 -2.2628 2.00000
549 -2.2473 2.00000
550 -2.2267 2.00000
551 -2.2150 2.00000
552 -2.1966 2.00000
553 -2.1889 2.00000
554 -2.1583 2.00000
555 -2.1488 2.00000
556 -2.1440 2.00000
557 -2.1281 2.00000
558 -2.1197 2.00000
559 -2.1066 2.00000
560 -2.0842 2.00000
561 -2.0787 2.00000
562 -2.0625 2.00000
563 -2.0452 2.00000
564 -2.0396 2.00000
565 -2.0174 2.00000
566 -2.0085 2.00000
567 -1.9830 2.00000
568 -1.9765 2.00000
569 -1.9497 2.00000
570 -1.9222 2.00000
571 -1.9100 2.00000
572 -1.8987 2.00000
573 -1.8782 2.00000
574 -1.8655 2.00000
575 -1.8644 2.00000
576 -1.8454 2.00000
577 -1.8181 2.00000
578 -1.8077 2.00000
579 -1.7823 2.00000
580 -1.7750 2.00000
581 -1.7617 2.00000
582 -1.7567 2.00000
583 -1.7372 2.00000
584 -1.6931 2.00000
585 -1.6869 2.00000
586 -1.6724 2.00000
587 -1.6167 2.00000
588 -1.5967 2.00000
589 -1.4870 2.00000
590 -1.4239 2.00000
591 -1.3968 2.00000
592 -1.3495 2.00000
593 -1.2972 2.00000
594 0.0290 2.00000
595 0.2585 2.00000
596 1.5115 0.00000
597 1.7877 0.00000
598 2.7930 0.00000
599 2.8801 0.00000
600 3.1384 0.00000
601 3.2226 0.00000
602 3.3100 0.00000
603 3.4356 0.00000
604 3.5095 0.00000
605 3.5465 0.00000
606 3.6042 0.00000
607 3.6465 0.00000
608 3.6962 0.00000
609 3.7375 0.00000
610 3.7780 0.00000
611 3.8210 0.00000
612 3.8712 0.00000
613 3.9055 0.00000
614 3.9533 0.00000
615 3.9759 0.00000
616 4.0317 0.00000
617 4.0392 0.00000
618 4.0895 0.00000
619 4.1184 0.00000
620 4.1484 0.00000
621 4.1775 0.00000
622 4.1955 0.00000
623 4.1980 0.00000
624 4.2138 0.00000
625 4.2399 0.00000
626 4.2551 0.00000
627 4.3010 0.00000
628 4.3248 0.00000
629 4.3361 0.00000
630 4.3434 0.00000
631 4.3888 0.00000
632 4.4049 0.00000
633 4.4313 0.00000
634 4.4431 0.00000
635 4.4684 0.00000
636 4.4844 0.00000
637 4.5116 0.00000
638 4.5434 0.00000
639 4.5746 0.00000
640 4.5798 0.00000
641 4.5921 0.00000
642 4.6012 0.00000
643 4.6274 0.00000
644 4.6451 0.00000
645 4.6613 0.00000
646 4.6674 0.00000
647 4.6994 0.00000
648 4.7162 0.00000
649 4.7331 0.00000
650 4.7512 0.00000
651 4.7914 0.00000
652 4.7950 0.00000
653 4.8055 0.00000
654 4.8339 0.00000
655 4.8477 0.00000
656 4.8630 0.00000
657 4.8840 0.00000
658 4.9010 0.00000
659 4.9115 0.00000
660 4.9327 0.00000
661 4.9428 0.00000
662 4.9665 0.00000
663 4.9803 0.00000
664 4.9900 0.00000
665 5.0120 0.00000
666 5.0274 0.00000
667 5.0314 0.00000
668 5.0483 0.00000
669 5.0632 0.00000
670 5.0840 0.00000
671 5.1043 0.00000
672 5.1198 0.00000
673 5.1396 0.00000
674 5.1500 0.00000
675 5.1647 0.00000
676 5.1770 0.00000
677 5.1836 0.00000
678 5.1877 0.00000
679 5.2129 0.00000
680 5.2320 0.00000
681 5.2379 0.00000
682 5.2469 0.00000
683 5.2685 0.00000
684 5.2702 0.00000
685 5.2877 0.00000
686 5.2945 0.00000
687 5.3068 0.00000
688 5.3262 0.00000
689 5.3368 0.00000
690 5.3459 0.00000
691 5.3689 0.00000
692 5.3712 0.00000
693 5.3899 0.00000
694 5.3973 0.00000
695 5.4080 0.00000
696 5.4228 0.00000
697 5.4373 0.00000
698 5.4423 0.00000
699 5.4591 0.00000
700 5.4926 0.00000
701 5.5090 0.00000
702 5.5217 0.00000
703 5.5359 0.00000
704 5.5579 0.00000
705 5.5619 0.00000
706 5.5656 0.00000
707 5.5967 0.00000
708 5.6101 0.00000
709 5.6190 0.00000
710 5.6299 0.00000
711 5.6472 0.00000
712 5.6759 0.00000
713 5.6863 0.00000
714 5.6975 0.00000
715 5.7124 0.00000
716 5.7249 0.00000
717 5.7308 0.00000
718 5.7465 0.00000
719 5.7600 0.00000
720 5.7653 0.00000
721 5.7919 0.00000
722 5.8007 0.00000
723 5.8182 0.00000
724 5.8339 0.00000
725 5.8469 0.00000
726 5.8558 0.00000
727 5.8689 0.00000
728 5.8758 0.00000
729 5.8831 0.00000
730 5.9135 0.00000
731 5.9387 0.00000
732 5.9471 0.00000
733 5.9523 0.00000
734 5.9825 0.00000
735 5.9940 0.00000
736 6.0064 0.00000
737 6.0326 0.00000
738 6.0395 0.00000
739 6.0503 0.00000
740 6.0560 0.00000
741 6.0713 0.00000
742 6.0844 0.00000
743 6.1053 0.00000
744 6.1197 0.00000
745 6.1344 0.00000
746 6.1521 0.00000
747 6.1575 0.00000
748 6.1655 0.00000
749 6.1796 0.00000
750 6.1973 0.00000
751 6.2211 0.00000
752 6.2317 0.00000
753 6.2475 0.00000
754 6.2604 0.00000
755 6.2655 0.00000
756 6.2798 0.00000
757 6.2916 0.00000
758 6.2934 0.00000
759 6.3236 0.00000
760 6.3369 0.00000
761 6.3475 0.00000
762 6.3647 0.00000
763 6.3794 0.00000
764 6.3860 0.00000
765 6.4059 0.00000
766 6.4192 0.00000
767 6.4300 0.00000
768 6.4405 0.00000
769 6.4583 0.00000
770 6.4708 0.00000
771 6.4851 0.00000
772 6.4890 0.00000
773 6.5027 0.00000
774 6.5072 0.00000
775 6.5274 0.00000
776 6.5402 0.00000
777 6.5705 0.00000
778 6.5868 0.00000
779 6.6017 0.00000
780 6.6384 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -21.4178 2.00000
2 -20.9057 2.00000
3 -20.7138 2.00000
4 -20.5612 2.00000
5 -20.5590 2.00000
6 -20.5004 2.00000
7 -20.4862 2.00000
8 -20.4351 2.00000
9 -20.4093 2.00000
10 -20.3742 2.00000
11 -20.3579 2.00000
12 -20.3248 2.00000
13 -20.2117 2.00000
14 -20.2066 2.00000
15 -20.1407 2.00000
16 -20.0547 2.00000
17 -20.0444 2.00000
18 -20.0255 2.00000
19 -20.0011 2.00000
20 -19.9987 2.00000
21 -19.9777 2.00000
22 -19.9743 2.00000
23 -19.9453 2.00000
24 -19.9348 2.00000
25 -19.9268 2.00000
26 -19.8935 2.00000
27 -19.8911 2.00000
28 -19.8546 2.00000
29 -19.8460 2.00000
30 -19.8272 2.00000
31 -19.8080 2.00000
32 -19.7532 2.00000
33 -19.7466 2.00000
34 -19.7319 2.00000
35 -19.7212 2.00000
36 -19.6709 2.00000
37 -19.6355 2.00000
38 -19.5997 2.00000
39 -19.5666 2.00000
40 -19.5639 2.00000
41 -19.5343 2.00000
42 -19.5164 2.00000
43 -19.4959 2.00000
44 -19.4834 2.00000
45 -19.4692 2.00000
46 -19.4287 2.00000
47 -19.4067 2.00000
48 -19.3664 2.00000
49 -19.3475 2.00000
50 -19.3412 2.00000
51 -19.3259 2.00000
52 -19.3202 2.00000
53 -19.3055 2.00000
54 -19.2760 2.00000
55 -19.2692 2.00000
56 -19.2498 2.00000
57 -19.2263 2.00000
58 -19.2246 2.00000
59 -19.2060 2.00000
60 -19.1936 2.00000
61 -19.1805 2.00000
62 -19.1695 2.00000
63 -19.1550 2.00000
64 -19.1380 2.00000
65 -19.1305 2.00000
66 -19.1192 2.00000
67 -19.1040 2.00000
68 -19.1023 2.00000
69 -19.0759 2.00000
70 -19.0537 2.00000
71 -19.0450 2.00000
72 -19.0220 2.00000
73 -19.0027 2.00000
74 -18.9860 2.00000
75 -18.9719 2.00000
76 -18.9689 2.00000
77 -18.9416 2.00000
78 -18.9278 2.00000
79 -18.9257 2.00000
80 -18.9056 2.00000
81 -18.8824 2.00000
82 -18.8331 2.00000
83 -18.7696 2.00000
84 -18.6453 2.00000
85 -18.0889 2.00000
86 -17.8281 2.00000
87 -15.6562 2.00000
88 -13.9966 2.00000
89 -13.3365 2.00000
90 -13.2079 2.00000
91 -13.1214 2.00000
92 -13.1124 2.00000
93 -13.0311 2.00000
94 -13.0025 2.00000
95 -12.9783 2.00000
96 -12.9463 2.00000
97 -12.9291 2.00000
98 -12.9005 2.00000
99 -12.8918 2.00000
100 -12.8629 2.00000
101 -12.8452 2.00000
102 -12.7873 2.00000
103 -12.7584 2.00000
104 -12.7431 2.00000
105 -12.6932 2.00000
106 -12.6617 2.00000
107 -12.5942 2.00000
108 -12.5768 2.00000
109 -12.5509 2.00000
110 -12.5237 2.00000
111 -12.4975 2.00000
112 -12.4635 2.00000
113 -12.4550 2.00000
114 -12.4404 2.00000
115 -12.4233 2.00000
116 -12.3682 2.00000
117 -12.3492 2.00000
118 -12.3194 2.00000
119 -12.2802 2.00000
120 -12.2795 2.00000
121 -12.2575 2.00000
122 -12.2446 2.00000
123 -12.1915 2.00000
124 -12.1811 2.00000
125 -12.1764 2.00000
126 -12.1068 2.00000
127 -12.0769 2.00000
128 -12.0555 2.00000
129 -12.0341 2.00000
130 -12.0217 2.00000
131 -12.0151 2.00000
132 -12.0112 2.00000
133 -11.9935 2.00000
134 -11.9613 2.00000
135 -11.9006 2.00000
136 -11.8681 2.00000
137 -11.8576 2.00000
138 -11.8361 2.00000
139 -11.8300 2.00000
140 -11.8136 2.00000
141 -11.7922 2.00000
142 -11.7528 2.00000
143 -11.7053 2.00000
144 -11.6455 2.00000
145 -11.5665 2.00000
146 -11.5297 2.00000
147 -11.4594 2.00000
148 -10.8759 2.00000
149 -10.7464 2.00000
150 -10.5147 2.00000
151 -10.3956 2.00000
152 -10.2614 2.00000
153 -10.1684 2.00000
154 -10.1152 2.00000
155 -10.0468 2.00000
156 -9.9707 2.00000
157 -9.8989 2.00000
158 -9.8107 2.00000
159 -9.7990 2.00000
160 -9.7546 2.00000
161 -9.7302 2.00000
162 -9.6764 2.00000
163 -9.6258 2.00000
164 -9.5873 2.00000
165 -9.5450 2.00000
166 -9.4664 2.00000
167 -9.4227 2.00000
168 -9.3550 2.00000
169 -9.3426 2.00000
170 -9.2587 2.00000
171 -9.2386 2.00000
172 -9.1710 2.00000
173 -9.1274 2.00000
174 -9.0757 2.00000
175 -9.0193 2.00000
176 -8.9457 2.00000
177 -8.9323 2.00000
178 -8.8668 2.00000
179 -8.8466 2.00000
180 -8.7450 2.00000
181 -8.7202 2.00000
182 -8.6651 2.00000
183 -8.6311 2.00000
184 -8.5891 2.00000
185 -8.4791 2.00000
186 -8.4548 2.00000
187 -8.4105 2.00000
188 -8.3756 2.00000
189 -8.3452 2.00000
190 -8.2847 2.00000
191 -8.2579 2.00000
192 -8.1474 2.00000
193 -8.1047 2.00000
194 -8.0551 2.00000
195 -8.0192 2.00000
196 -7.9648 2.00000
197 -7.9325 2.00000
198 -7.9109 2.00000
199 -7.8533 2.00000
200 -7.8338 2.00000
201 -7.7916 2.00000
202 -7.7840 2.00000
203 -7.7382 2.00000
204 -7.7076 2.00000
205 -7.6964 2.00000
206 -7.6648 2.00000
207 -7.6403 2.00000
208 -7.6011 2.00000
209 -7.5558 2.00000
210 -7.5049 2.00000
211 -7.4324 2.00000
212 -7.3904 2.00000
213 -7.3536 2.00000
214 -7.2939 2.00000
215 -7.2836 2.00000
216 -7.2543 2.00000
217 -7.2212 2.00000
218 -7.2192 2.00000
219 -7.1930 2.00000
220 -7.1635 2.00000
221 -7.1520 2.00000
222 -7.1049 2.00000
223 -7.0698 2.00000
224 -7.0525 2.00000
225 -7.0267 2.00000
226 -7.0168 2.00000
227 -6.9816 2.00000
228 -6.9338 2.00000
229 -6.9050 2.00000
230 -6.8612 2.00000
231 -6.7985 2.00000
232 -6.7284 2.00000
233 -6.7212 2.00000
234 -6.5976 2.00000
235 -6.3202 2.00000
236 -6.2963 2.00000
237 -6.2650 2.00000
238 -6.2629 2.00000
239 -6.2206 2.00000
240 -6.1932 2.00000
241 -6.1850 2.00000
242 -6.1200 2.00000
243 -6.1077 2.00000
244 -6.0882 2.00000
245 -6.0781 2.00000
246 -6.0729 2.00000
247 -6.0556 2.00000
248 -6.0313 2.00000
249 -6.0053 2.00000
250 -5.9761 2.00000
251 -5.9459 2.00000
252 -5.9350 2.00000
253 -5.9087 2.00000
254 -5.9007 2.00000
255 -5.8908 2.00000
256 -5.8765 2.00000
257 -5.8576 2.00000
258 -5.8340 2.00000
259 -5.8208 2.00000
260 -5.8037 2.00000
261 -5.7979 2.00000
262 -5.7831 2.00000
263 -5.7739 2.00000
264 -5.7589 2.00000
265 -5.7341 2.00000
266 -5.7200 2.00000
267 -5.7102 2.00000
268 -5.6969 2.00000
269 -5.6923 2.00000
270 -5.6646 2.00000
271 -5.6553 2.00000
272 -5.6325 2.00000
273 -5.6243 2.00000
274 -5.6024 2.00000
275 -5.5796 2.00000
276 -5.5540 2.00000
277 -5.5440 2.00000
278 -5.5345 2.00000
279 -5.5255 2.00000
280 -5.5011 2.00000
281 -5.4967 2.00000
282 -5.4914 2.00000
283 -5.4880 2.00000
284 -5.4694 2.00000
285 -5.4609 2.00000
286 -5.4596 2.00000
287 -5.4474 2.00000
288 -5.4293 2.00000
289 -5.4048 2.00000
290 -5.3845 2.00000
291 -5.3694 2.00000
292 -5.3595 2.00000
293 -5.3580 2.00000
294 -5.3506 2.00000
295 -5.3436 2.00000
296 -5.3287 2.00000
297 -5.3125 2.00000
298 -5.2875 2.00000
299 -5.2838 2.00000
300 -5.2711 2.00000
301 -5.2621 2.00000
302 -5.2400 2.00000
303 -5.2164 2.00000
304 -5.2026 2.00000
305 -5.1981 2.00000
306 -5.1953 2.00000
307 -5.1851 2.00000
308 -5.1556 2.00000
309 -5.1385 2.00000
310 -5.1260 2.00000
311 -5.1230 2.00000
312 -5.1131 2.00000
313 -5.0918 2.00000
314 -5.0747 2.00000
315 -5.0682 2.00000
316 -5.0590 2.00000
317 -5.0442 2.00000
318 -5.0244 2.00000
319 -5.0015 2.00000
320 -4.9784 2.00000
321 -4.9707 2.00000
322 -4.9500 2.00000
323 -4.9384 2.00000
324 -4.9242 2.00000
325 -4.9147 2.00000
326 -4.8981 2.00000
327 -4.8904 2.00000
328 -4.8720 2.00000
329 -4.8643 2.00000
330 -4.8603 2.00000
331 -4.8353 2.00000
332 -4.8281 2.00000
333 -4.8175 2.00000
334 -4.8159 2.00000
335 -4.8034 2.00000
336 -4.7896 2.00000
337 -4.7862 2.00000
338 -4.7738 2.00000
339 -4.7645 2.00000
340 -4.7558 2.00000
341 -4.7375 2.00000
342 -4.7215 2.00000
343 -4.7140 2.00000
344 -4.7077 2.00000
345 -4.6966 2.00000
346 -4.6760 2.00000
347 -4.6665 2.00000
348 -4.6519 2.00000
349 -4.6448 2.00000
350 -4.6379 2.00000
351 -4.6184 2.00000
352 -4.6087 2.00000
353 -4.5984 2.00000
354 -4.5864 2.00000
355 -4.5820 2.00000
356 -4.5605 2.00000
357 -4.5484 2.00000
358 -4.5424 2.00000
359 -4.5212 2.00000
360 -4.5138 2.00000
361 -4.5053 2.00000
362 -4.4878 2.00000
363 -4.4860 2.00000
364 -4.4729 2.00000
365 -4.4523 2.00000
366 -4.4385 2.00000
367 -4.4088 2.00000
368 -4.4042 2.00000
369 -4.3975 2.00000
370 -4.3763 2.00000
371 -4.3689 2.00000
372 -4.3410 2.00000
373 -4.3297 2.00000
374 -4.3168 2.00000
375 -4.3100 2.00000
376 -4.2965 2.00000
377 -4.2865 2.00000
378 -4.2776 2.00000
379 -4.2656 2.00000
380 -4.2561 2.00000
381 -4.2428 2.00000
382 -4.2342 2.00000
383 -4.2222 2.00000
384 -4.2121 2.00000
385 -4.2057 2.00000
386 -4.2013 2.00000
387 -4.1818 2.00000
388 -4.1746 2.00000
389 -4.1463 2.00000
390 -4.1413 2.00000
391 -4.1238 2.00000
392 -4.1151 2.00000
393 -4.1008 2.00000
394 -4.0836 2.00000
395 -4.0728 2.00000
396 -4.0639 2.00000
397 -4.0621 2.00000
398 -4.0442 2.00000
399 -4.0312 2.00000
400 -4.0165 2.00000
401 -4.0071 2.00000
402 -3.9956 2.00000
403 -3.9866 2.00000
404 -3.9701 2.00000
405 -3.9583 2.00000
406 -3.9443 2.00000
407 -3.9215 2.00000
408 -3.9205 2.00000
409 -3.8976 2.00000
410 -3.8946 2.00000
411 -3.8904 2.00000
412 -3.8618 2.00000
413 -3.8599 2.00000
414 -3.8326 2.00000
415 -3.8152 2.00000
416 -3.8014 2.00000
417 -3.7938 2.00000
418 -3.7677 2.00000
419 -3.7623 2.00000
420 -3.7535 2.00000
421 -3.7416 2.00000
422 -3.7265 2.00000
423 -3.7157 2.00000
424 -3.7031 2.00000
425 -3.6868 2.00000
426 -3.6795 2.00000
427 -3.6760 2.00000
428 -3.6742 2.00000
429 -3.6638 2.00000
430 -3.6563 2.00000
431 -3.6308 2.00000
432 -3.6231 2.00000
433 -3.6195 2.00000
434 -3.5953 2.00000
435 -3.5864 2.00000
436 -3.5810 2.00000
437 -3.5752 2.00000
438 -3.5581 2.00000
439 -3.5405 2.00000
440 -3.5351 2.00000
441 -3.5301 2.00000
442 -3.5081 2.00000
443 -3.4968 2.00000
444 -3.4901 2.00000
445 -3.4849 2.00000
446 -3.4646 2.00000
447 -3.4559 2.00000
448 -3.4458 2.00000
449 -3.4333 2.00000
450 -3.4064 2.00000
451 -3.3958 2.00000
452 -3.3925 2.00000
453 -3.3878 2.00000
454 -3.3733 2.00000
455 -3.3600 2.00000
456 -3.3478 2.00000
457 -3.3359 2.00000
458 -3.3254 2.00000
459 -3.3237 2.00000
460 -3.3206 2.00000
461 -3.2864 2.00000
462 -3.2769 2.00000
463 -3.2762 2.00000
464 -3.2642 2.00000
465 -3.2541 2.00000
466 -3.2435 2.00000
467 -3.2386 2.00000
468 -3.2260 2.00000
469 -3.2128 2.00000
470 -3.2021 2.00000
471 -3.1974 2.00000
472 -3.1669 2.00000
473 -3.1562 2.00000
474 -3.1453 2.00000
475 -3.1425 2.00000
476 -3.1354 2.00000
477 -3.1253 2.00000
478 -3.1126 2.00000
479 -3.0955 2.00000
480 -3.0879 2.00000
481 -3.0696 2.00000
482 -3.0659 2.00000
483 -3.0643 2.00000
484 -3.0552 2.00000
485 -3.0403 2.00000
486 -3.0160 2.00000
487 -3.0126 2.00000
488 -3.0055 2.00000
489 -2.9780 2.00000
490 -2.9695 2.00000
491 -2.9569 2.00000
492 -2.9420 2.00000
493 -2.9362 2.00000
494 -2.9284 2.00000
495 -2.9169 2.00000
496 -2.8972 2.00000
497 -2.8935 2.00000
498 -2.8777 2.00000
499 -2.8667 2.00000
500 -2.8608 2.00000
501 -2.8492 2.00000
502 -2.8387 2.00000
503 -2.8256 2.00000
504 -2.8192 2.00000
505 -2.8094 2.00000
506 -2.8031 2.00000
507 -2.7976 2.00000
508 -2.7848 2.00000
509 -2.7684 2.00000
510 -2.7454 2.00000
511 -2.7372 2.00000
512 -2.7206 2.00000
513 -2.7178 2.00000
514 -2.7123 2.00000
515 -2.6964 2.00000
516 -2.6801 2.00000
517 -2.6645 2.00000
518 -2.6556 2.00000
519 -2.6432 2.00000
520 -2.6370 2.00000
521 -2.6241 2.00000
522 -2.6175 2.00000
523 -2.6055 2.00000
524 -2.5770 2.00000
525 -2.5676 2.00000
526 -2.5519 2.00000
527 -2.5463 2.00000
528 -2.5357 2.00000
529 -2.5244 2.00000
530 -2.5074 2.00000
531 -2.4962 2.00000
532 -2.4822 2.00000
533 -2.4742 2.00000
534 -2.4678 2.00000
535 -2.4663 2.00000
536 -2.4326 2.00000
537 -2.4258 2.00000
538 -2.4086 2.00000
539 -2.3824 2.00000
540 -2.3739 2.00000
541 -2.3647 2.00000
542 -2.3493 2.00000
543 -2.3418 2.00000
544 -2.3283 2.00000
545 -2.3126 2.00000
546 -2.2772 2.00000
547 -2.2648 2.00000
548 -2.2538 2.00000
549 -2.2433 2.00000
550 -2.2306 2.00000
551 -2.2142 2.00000
552 -2.1951 2.00000
553 -2.1861 2.00000
554 -2.1776 2.00000
555 -2.1576 2.00000
556 -2.1510 2.00000
557 -2.1267 2.00000
558 -2.1165 2.00000
559 -2.1087 2.00000
560 -2.0989 2.00000
561 -2.0886 2.00000
562 -2.0597 2.00000
563 -2.0539 2.00000
564 -2.0283 2.00000
565 -2.0188 2.00000
566 -2.0025 2.00000
567 -1.9902 2.00000
568 -1.9641 2.00000
569 -1.9456 2.00000
570 -1.9251 2.00000
571 -1.9155 2.00000
572 -1.8949 2.00000
573 -1.8790 2.00000
574 -1.8657 2.00000
575 -1.8598 2.00000
576 -1.8375 2.00000
577 -1.8247 2.00000
578 -1.7980 2.00000
579 -1.7834 2.00000
580 -1.7719 2.00000
581 -1.7683 2.00000
582 -1.7439 2.00000
583 -1.7349 2.00000
584 -1.7053 2.00000
585 -1.6941 2.00000
586 -1.6651 2.00000
587 -1.6226 2.00000
588 -1.6012 2.00000
589 -1.4874 2.00000
590 -1.4197 2.00000
591 -1.3883 2.00000
592 -1.3559 2.00000
593 -1.2957 2.00000
594 0.0290 2.00000
595 0.2584 2.00000
596 1.5106 0.00000
597 1.7831 0.00000
598 2.6903 0.00000
599 2.9616 0.00000
600 3.0278 0.00000
601 3.3299 0.00000
602 3.3861 0.00000
603 3.4589 0.00000
604 3.4945 0.00000
605 3.5776 0.00000
606 3.6235 0.00000
607 3.6504 0.00000
608 3.6806 0.00000
609 3.7657 0.00000
610 3.7735 0.00000
611 3.8201 0.00000
612 3.8365 0.00000
613 3.9116 0.00000
614 3.9198 0.00000
615 3.9932 0.00000
616 4.0145 0.00000
617 4.0675 0.00000
618 4.0869 0.00000
619 4.0986 0.00000
620 4.1102 0.00000
621 4.1278 0.00000
622 4.1538 0.00000
623 4.1805 0.00000
624 4.2105 0.00000
625 4.2415 0.00000
626 4.2675 0.00000
627 4.2842 0.00000
628 4.3259 0.00000
629 4.3464 0.00000
630 4.3552 0.00000
631 4.3687 0.00000
632 4.3930 0.00000
633 4.4389 0.00000
634 4.4444 0.00000
635 4.4793 0.00000
636 4.4926 0.00000
637 4.5093 0.00000
638 4.5406 0.00000
639 4.5746 0.00000
640 4.5777 0.00000
641 4.6071 0.00000
642 4.6182 0.00000
643 4.6242 0.00000
644 4.6438 0.00000
645 4.6809 0.00000
646 4.6950 0.00000
647 4.7256 0.00000
648 4.7399 0.00000
649 4.7589 0.00000
650 4.7663 0.00000
651 4.7699 0.00000
652 4.7986 0.00000
653 4.8104 0.00000
654 4.8236 0.00000
655 4.8438 0.00000
656 4.8649 0.00000
657 4.8823 0.00000
658 4.9162 0.00000
659 4.9293 0.00000
660 4.9399 0.00000
661 4.9415 0.00000
662 4.9802 0.00000
663 4.9823 0.00000
664 4.9955 0.00000
665 5.0159 0.00000
666 5.0280 0.00000
667 5.0405 0.00000
668 5.0566 0.00000
669 5.0601 0.00000
670 5.0877 0.00000
671 5.0943 0.00000
672 5.0999 0.00000
673 5.1128 0.00000
674 5.1362 0.00000
675 5.1529 0.00000
676 5.1604 0.00000
677 5.1727 0.00000
678 5.1999 0.00000
679 5.2190 0.00000
680 5.2215 0.00000
681 5.2368 0.00000
682 5.2453 0.00000
683 5.2602 0.00000
684 5.2761 0.00000
685 5.2791 0.00000
686 5.2935 0.00000
687 5.3121 0.00000
688 5.3140 0.00000
689 5.3256 0.00000
690 5.3358 0.00000
691 5.3741 0.00000
692 5.3829 0.00000
693 5.3897 0.00000
694 5.4006 0.00000
695 5.4081 0.00000
696 5.4247 0.00000
697 5.4366 0.00000
698 5.4551 0.00000
699 5.4767 0.00000
700 5.4913 0.00000
701 5.4958 0.00000
702 5.5171 0.00000
703 5.5334 0.00000
704 5.5483 0.00000
705 5.5569 0.00000
706 5.5671 0.00000
707 5.5981 0.00000
708 5.6011 0.00000
709 5.6175 0.00000
710 5.6417 0.00000
711 5.6435 0.00000
712 5.6551 0.00000
713 5.6646 0.00000
714 5.6968 0.00000
715 5.7032 0.00000
716 5.7148 0.00000
717 5.7249 0.00000
718 5.7380 0.00000
719 5.7661 0.00000
720 5.7765 0.00000
721 5.8037 0.00000
722 5.8102 0.00000
723 5.8266 0.00000
724 5.8365 0.00000
725 5.8462 0.00000
726 5.8564 0.00000
727 5.8799 0.00000
728 5.8914 0.00000
729 5.8970 0.00000
730 5.9134 0.00000
731 5.9360 0.00000
732 5.9443 0.00000
733 5.9546 0.00000
734 5.9646 0.00000
735 5.9846 0.00000
736 5.9946 0.00000
737 6.0098 0.00000
738 6.0439 0.00000
739 6.0460 0.00000
740 6.0558 0.00000
741 6.0620 0.00000
742 6.0810 0.00000
743 6.0876 0.00000
744 6.1017 0.00000
745 6.1182 0.00000
746 6.1301 0.00000
747 6.1379 0.00000
748 6.1480 0.00000
749 6.1868 0.00000
750 6.1965 0.00000
751 6.2108 0.00000
752 6.2161 0.00000
753 6.2243 0.00000
754 6.2393 0.00000
755 6.2801 0.00000
756 6.2866 0.00000
757 6.2983 0.00000
758 6.3076 0.00000
759 6.3246 0.00000
760 6.3372 0.00000
761 6.3481 0.00000
762 6.3664 0.00000
763 6.3888 0.00000
764 6.3949 0.00000
765 6.4113 0.00000
766 6.4179 0.00000
767 6.4350 0.00000
768 6.4417 0.00000
769 6.4629 0.00000
770 6.4936 0.00000
771 6.4991 0.00000
772 6.5202 0.00000
773 6.5276 0.00000
774 6.5369 0.00000
775 6.5560 0.00000
776 6.5652 0.00000
777 6.5800 0.00000
778 6.6037 0.00000
779 6.6301 0.00000
780 6.6390 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -21.4178 2.00000
2 -20.9058 2.00000
3 -20.7139 2.00000
4 -20.5612 2.00000
5 -20.5589 2.00000
6 -20.5005 2.00000
7 -20.4862 2.00000
8 -20.4351 2.00000
9 -20.4094 2.00000
10 -20.3735 2.00000
11 -20.3579 2.00000
12 -20.3261 2.00000
13 -20.2114 2.00000
14 -20.2066 2.00000
15 -20.1407 2.00000
16 -20.0572 2.00000
17 -20.0327 2.00000
18 -20.0312 2.00000
19 -20.0044 2.00000
20 -19.9971 2.00000
21 -19.9777 2.00000
22 -19.9739 2.00000
23 -19.9463 2.00000
24 -19.9364 2.00000
25 -19.9273 2.00000
26 -19.8945 2.00000
27 -19.8892 2.00000
28 -19.8599 2.00000
29 -19.8445 2.00000
30 -19.8267 2.00000
31 -19.7985 2.00000
32 -19.7629 2.00000
33 -19.7430 2.00000
34 -19.7366 2.00000
35 -19.7206 2.00000
36 -19.6678 2.00000
37 -19.6264 2.00000
38 -19.6001 2.00000
39 -19.5811 2.00000
40 -19.5665 2.00000
41 -19.5340 2.00000
42 -19.5101 2.00000
43 -19.4958 2.00000
44 -19.4791 2.00000
45 -19.4504 2.00000
46 -19.4344 2.00000
47 -19.4277 2.00000
48 -19.3656 2.00000
49 -19.3438 2.00000
50 -19.3371 2.00000
51 -19.3246 2.00000
52 -19.3229 2.00000
53 -19.3033 2.00000
54 -19.2762 2.00000
55 -19.2686 2.00000
56 -19.2591 2.00000
57 -19.2264 2.00000
58 -19.2242 2.00000
59 -19.2011 2.00000
60 -19.1959 2.00000
61 -19.1784 2.00000
62 -19.1657 2.00000
63 -19.1545 2.00000
64 -19.1383 2.00000
65 -19.1336 2.00000
66 -19.1200 2.00000
67 -19.1042 2.00000
68 -19.1018 2.00000
69 -19.0758 2.00000
70 -19.0530 2.00000
71 -19.0451 2.00000
72 -19.0220 2.00000
73 -19.0025 2.00000
74 -18.9861 2.00000
75 -18.9714 2.00000
76 -18.9683 2.00000
77 -18.9438 2.00000
78 -18.9271 2.00000
79 -18.9255 2.00000
80 -18.9056 2.00000
81 -18.8824 2.00000
82 -18.8331 2.00000
83 -18.7696 2.00000
84 -18.6453 2.00000
85 -18.0889 2.00000
86 -17.8281 2.00000
87 -15.6562 2.00000
88 -13.9966 2.00000
89 -13.3360 2.00000
90 -13.2083 2.00000
91 -13.1365 2.00000
92 -13.0928 2.00000
93 -13.0326 2.00000
94 -12.9992 2.00000
95 -12.9831 2.00000
96 -12.9457 2.00000
97 -12.9242 2.00000
98 -12.9120 2.00000
99 -12.8886 2.00000
100 -12.8626 2.00000
101 -12.8461 2.00000
102 -12.7942 2.00000
103 -12.7474 2.00000
104 -12.7461 2.00000
105 -12.6990 2.00000
106 -12.6621 2.00000
107 -12.5812 2.00000
108 -12.5665 2.00000
109 -12.5616 2.00000
110 -12.5294 2.00000
111 -12.4987 2.00000
112 -12.4644 2.00000
113 -12.4536 2.00000
114 -12.4311 2.00000
115 -12.4199 2.00000
116 -12.3777 2.00000
117 -12.3483 2.00000
118 -12.3235 2.00000
119 -12.2826 2.00000
120 -12.2791 2.00000
121 -12.2588 2.00000
122 -12.2472 2.00000
123 -12.1875 2.00000
124 -12.1809 2.00000
125 -12.1759 2.00000
126 -12.1033 2.00000
127 -12.0761 2.00000
128 -12.0579 2.00000
129 -12.0316 2.00000
130 -12.0251 2.00000
131 -12.0175 2.00000
132 -12.0122 2.00000
133 -11.9869 2.00000
134 -11.9640 2.00000
135 -11.9011 2.00000
136 -11.8654 2.00000
137 -11.8545 2.00000
138 -11.8380 2.00000
139 -11.8307 2.00000
140 -11.8144 2.00000
141 -11.7926 2.00000
142 -11.7527 2.00000
143 -11.7171 2.00000
144 -11.6332 2.00000
145 -11.5689 2.00000
146 -11.5293 2.00000
147 -11.4594 2.00000
148 -10.8751 2.00000
149 -10.7319 2.00000
150 -10.5087 2.00000
151 -10.3718 2.00000
152 -10.3071 2.00000
153 -10.2290 2.00000
154 -10.1606 2.00000
155 -9.9772 2.00000
156 -9.9300 2.00000
157 -9.9117 2.00000
158 -9.8315 2.00000
159 -9.8082 2.00000
160 -9.7576 2.00000
161 -9.7137 2.00000
162 -9.6413 2.00000
163 -9.6080 2.00000
164 -9.5853 2.00000
165 -9.4747 2.00000
166 -9.4406 2.00000
167 -9.4035 2.00000
168 -9.3921 2.00000
169 -9.3382 2.00000
170 -9.3291 2.00000
171 -9.2516 2.00000
172 -9.1887 2.00000
173 -9.1561 2.00000
174 -9.0886 2.00000
175 -8.9849 2.00000
176 -8.9706 2.00000
177 -8.9389 2.00000
178 -8.8931 2.00000
179 -8.8304 2.00000
180 -8.8043 2.00000
181 -8.7257 2.00000
182 -8.6602 2.00000
183 -8.5947 2.00000
184 -8.5808 2.00000
185 -8.4659 2.00000
186 -8.4350 2.00000
187 -8.3918 2.00000
188 -8.3404 2.00000
189 -8.3165 2.00000
190 -8.2747 2.00000
191 -8.2231 2.00000
192 -8.1889 2.00000
193 -8.0911 2.00000
194 -8.0731 2.00000
195 -8.0382 2.00000
196 -7.9948 2.00000
197 -7.9301 2.00000
198 -7.9146 2.00000
199 -7.8675 2.00000
200 -7.8275 2.00000
201 -7.7998 2.00000
202 -7.7732 2.00000
203 -7.7608 2.00000
204 -7.7190 2.00000
205 -7.7063 2.00000
206 -7.6788 2.00000
207 -7.6333 2.00000
208 -7.5860 2.00000
209 -7.5547 2.00000
210 -7.4996 2.00000
211 -7.4242 2.00000
212 -7.3678 2.00000
213 -7.3240 2.00000
214 -7.3222 2.00000
215 -7.2887 2.00000
216 -7.2467 2.00000
217 -7.2335 2.00000
218 -7.2117 2.00000
219 -7.1810 2.00000
220 -7.1719 2.00000
221 -7.1435 2.00000
222 -7.1184 2.00000
223 -7.0658 2.00000
224 -7.0524 2.00000
225 -7.0389 2.00000
226 -7.0104 2.00000
227 -6.9764 2.00000
228 -6.9348 2.00000
229 -6.9098 2.00000
230 -6.8624 2.00000
231 -6.7980 2.00000
232 -6.7270 2.00000
233 -6.7214 2.00000
234 -6.6006 2.00000
235 -6.3281 2.00000
236 -6.2902 2.00000
237 -6.2719 2.00000
238 -6.2593 2.00000
239 -6.2138 2.00000
240 -6.2004 2.00000
241 -6.1763 2.00000
242 -6.1239 2.00000
243 -6.1110 2.00000
244 -6.0916 2.00000
245 -6.0829 2.00000
246 -6.0584 2.00000
247 -6.0461 2.00000
248 -6.0416 2.00000
249 -5.9969 2.00000
250 -5.9837 2.00000
251 -5.9519 2.00000
252 -5.9446 2.00000
253 -5.9127 2.00000
254 -5.9000 2.00000
255 -5.8890 2.00000
256 -5.8640 2.00000
257 -5.8506 2.00000
258 -5.8459 2.00000
259 -5.8253 2.00000
260 -5.8086 2.00000
261 -5.7847 2.00000
262 -5.7842 2.00000
263 -5.7767 2.00000
264 -5.7592 2.00000
265 -5.7537 2.00000
266 -5.7306 2.00000
267 -5.7025 2.00000
268 -5.6958 2.00000
269 -5.6787 2.00000
270 -5.6699 2.00000
271 -5.6551 2.00000
272 -5.6185 2.00000
273 -5.6075 2.00000
274 -5.5962 2.00000
275 -5.5722 2.00000
276 -5.5569 2.00000
277 -5.5501 2.00000
278 -5.5372 2.00000
279 -5.5226 2.00000
280 -5.5077 2.00000
281 -5.5000 2.00000
282 -5.4950 2.00000
283 -5.4829 2.00000
284 -5.4746 2.00000
285 -5.4558 2.00000
286 -5.4371 2.00000
287 -5.4321 2.00000
288 -5.4189 2.00000
289 -5.4055 2.00000
290 -5.3947 2.00000
291 -5.3824 2.00000
292 -5.3777 2.00000
293 -5.3712 2.00000
294 -5.3545 2.00000
295 -5.3375 2.00000
296 -5.3198 2.00000
297 -5.3153 2.00000
298 -5.2953 2.00000
299 -5.2727 2.00000
300 -5.2699 2.00000
301 -5.2649 2.00000
302 -5.2431 2.00000
303 -5.2183 2.00000
304 -5.2101 2.00000
305 -5.1980 2.00000
306 -5.1725 2.00000
307 -5.1719 2.00000
308 -5.1617 2.00000
309 -5.1546 2.00000
310 -5.1347 2.00000
311 -5.1232 2.00000
312 -5.1074 2.00000
313 -5.0957 2.00000
314 -5.0841 2.00000
315 -5.0640 2.00000
316 -5.0557 2.00000
317 -5.0394 2.00000
318 -5.0148 2.00000
319 -5.0027 2.00000
320 -4.9841 2.00000
321 -4.9768 2.00000
322 -4.9529 2.00000
323 -4.9428 2.00000
324 -4.9327 2.00000
325 -4.9169 2.00000
326 -4.8930 2.00000
327 -4.8773 2.00000
328 -4.8697 2.00000
329 -4.8606 2.00000
330 -4.8576 2.00000
331 -4.8461 2.00000
332 -4.8273 2.00000
333 -4.8220 2.00000
334 -4.8090 2.00000
335 -4.8008 2.00000
336 -4.7945 2.00000
337 -4.7933 2.00000
338 -4.7785 2.00000
339 -4.7661 2.00000
340 -4.7420 2.00000
341 -4.7387 2.00000
342 -4.7292 2.00000
343 -4.7160 2.00000
344 -4.7035 2.00000
345 -4.6961 2.00000
346 -4.6886 2.00000
347 -4.6703 2.00000
348 -4.6565 2.00000
349 -4.6355 2.00000
350 -4.6195 2.00000
351 -4.6160 2.00000
352 -4.6040 2.00000
353 -4.5933 2.00000
354 -4.5855 2.00000
355 -4.5796 2.00000
356 -4.5615 2.00000
357 -4.5506 2.00000
358 -4.5374 2.00000
359 -4.5236 2.00000
360 -4.5109 2.00000
361 -4.5093 2.00000
362 -4.4958 2.00000
363 -4.4865 2.00000
364 -4.4749 2.00000
365 -4.4551 2.00000
366 -4.4391 2.00000
367 -4.4233 2.00000
368 -4.4196 2.00000
369 -4.3966 2.00000
370 -4.3889 2.00000
371 -4.3660 2.00000
372 -4.3542 2.00000
373 -4.3388 2.00000
374 -4.3277 2.00000
375 -4.3099 2.00000
376 -4.2943 2.00000
377 -4.2860 2.00000
378 -4.2754 2.00000
379 -4.2590 2.00000
380 -4.2512 2.00000
381 -4.2489 2.00000
382 -4.2223 2.00000
383 -4.2155 2.00000
384 -4.2087 2.00000
385 -4.1932 2.00000
386 -4.1844 2.00000
387 -4.1619 2.00000
388 -4.1462 2.00000
389 -4.1452 2.00000
390 -4.1345 2.00000
391 -4.1186 2.00000
392 -4.1140 2.00000
393 -4.0982 2.00000
394 -4.0909 2.00000
395 -4.0822 2.00000
396 -4.0676 2.00000
397 -4.0625 2.00000
398 -4.0442 2.00000
399 -4.0387 2.00000
400 -4.0358 2.00000
401 -4.0138 2.00000
402 -3.9904 2.00000
403 -3.9889 2.00000
404 -3.9719 2.00000
405 -3.9690 2.00000
406 -3.9428 2.00000
407 -3.9304 2.00000
408 -3.9221 2.00000
409 -3.8991 2.00000
410 -3.8879 2.00000
411 -3.8723 2.00000
412 -3.8606 2.00000
413 -3.8478 2.00000
414 -3.8419 2.00000
415 -3.8231 2.00000
416 -3.8104 2.00000
417 -3.7817 2.00000
418 -3.7682 2.00000
419 -3.7677 2.00000
420 -3.7404 2.00000
421 -3.7362 2.00000
422 -3.7162 2.00000
423 -3.7096 2.00000
424 -3.7059 2.00000
425 -3.6989 2.00000
426 -3.6911 2.00000
427 -3.6814 2.00000
428 -3.6681 2.00000
429 -3.6597 2.00000
430 -3.6553 2.00000
431 -3.6327 2.00000
432 -3.6264 2.00000
433 -3.6239 2.00000
434 -3.6154 2.00000
435 -3.5951 2.00000
436 -3.5825 2.00000
437 -3.5687 2.00000
438 -3.5559 2.00000
439 -3.5400 2.00000
440 -3.5302 2.00000
441 -3.5260 2.00000
442 -3.5123 2.00000
443 -3.5048 2.00000
444 -3.4838 2.00000
445 -3.4768 2.00000
446 -3.4597 2.00000
447 -3.4524 2.00000
448 -3.4426 2.00000
449 -3.4336 2.00000
450 -3.4224 2.00000
451 -3.3965 2.00000
452 -3.3963 2.00000
453 -3.3819 2.00000
454 -3.3741 2.00000
455 -3.3557 2.00000
456 -3.3470 2.00000
457 -3.3445 2.00000
458 -3.3308 2.00000
459 -3.3124 2.00000
460 -3.3005 2.00000
461 -3.2983 2.00000
462 -3.2819 2.00000
463 -3.2692 2.00000
464 -3.2572 2.00000
465 -3.2550 2.00000
466 -3.2448 2.00000
467 -3.2337 2.00000
468 -3.2234 2.00000
469 -3.2071 2.00000
470 -3.1996 2.00000
471 -3.1903 2.00000
472 -3.1737 2.00000
473 -3.1597 2.00000
474 -3.1488 2.00000
475 -3.1345 2.00000
476 -3.1275 2.00000
477 -3.1243 2.00000
478 -3.1091 2.00000
479 -3.0997 2.00000
480 -3.0928 2.00000
481 -3.0844 2.00000
482 -3.0710 2.00000
483 -3.0564 2.00000
484 -3.0477 2.00000
485 -3.0252 2.00000
486 -3.0160 2.00000
487 -3.0055 2.00000
488 -2.9979 2.00000
489 -2.9765 2.00000
490 -2.9730 2.00000
491 -2.9684 2.00000
492 -2.9619 2.00000
493 -2.9463 2.00000
494 -2.9404 2.00000
495 -2.9235 2.00000
496 -2.9054 2.00000
497 -2.8987 2.00000
498 -2.8754 2.00000
499 -2.8697 2.00000
500 -2.8627 2.00000
501 -2.8473 2.00000
502 -2.8337 2.00000
503 -2.8233 2.00000
504 -2.8167 2.00000
505 -2.8097 2.00000
506 -2.8037 2.00000
507 -2.7965 2.00000
508 -2.7789 2.00000
509 -2.7705 2.00000
510 -2.7525 2.00000
511 -2.7448 2.00000
512 -2.7295 2.00000
513 -2.7102 2.00000
514 -2.6979 2.00000
515 -2.6887 2.00000
516 -2.6781 2.00000
517 -2.6677 2.00000
518 -2.6536 2.00000
519 -2.6471 2.00000
520 -2.6371 2.00000
521 -2.6260 2.00000
522 -2.6090 2.00000
523 -2.5998 2.00000
524 -2.5806 2.00000
525 -2.5632 2.00000
526 -2.5568 2.00000
527 -2.5392 2.00000
528 -2.5255 2.00000
529 -2.5230 2.00000
530 -2.5109 2.00000
531 -2.4972 2.00000
532 -2.4914 2.00000
533 -2.4759 2.00000
534 -2.4731 2.00000
535 -2.4498 2.00000
536 -2.4342 2.00000
537 -2.4300 2.00000
538 -2.4054 2.00000
539 -2.4037 2.00000
540 -2.3839 2.00000
541 -2.3671 2.00000
542 -2.3552 2.00000
543 -2.3402 2.00000
544 -2.3231 2.00000
545 -2.2983 2.00000
546 -2.2909 2.00000
547 -2.2785 2.00000
548 -2.2585 2.00000
549 -2.2553 2.00000
550 -2.2259 2.00000
551 -2.2100 2.00000
552 -2.2053 2.00000
553 -2.1726 2.00000
554 -2.1669 2.00000
555 -2.1543 2.00000
556 -2.1348 2.00000
557 -2.1276 2.00000
558 -2.1261 2.00000
559 -2.1007 2.00000
560 -2.0990 2.00000
561 -2.0886 2.00000
562 -2.0656 2.00000
563 -2.0529 2.00000
564 -2.0269 2.00000
565 -2.0212 2.00000
566 -1.9947 2.00000
567 -1.9759 2.00000
568 -1.9646 2.00000
569 -1.9389 2.00000
570 -1.9289 2.00000
571 -1.9135 2.00000
572 -1.9074 2.00000
573 -1.8908 2.00000
574 -1.8763 2.00000
575 -1.8522 2.00000
576 -1.8367 2.00000
577 -1.8231 2.00000
578 -1.7985 2.00000
579 -1.7812 2.00000
580 -1.7682 2.00000
581 -1.7595 2.00000
582 -1.7586 2.00000
583 -1.7320 2.00000
584 -1.6969 2.00000
585 -1.6933 2.00000
586 -1.6634 2.00000
587 -1.6227 2.00000
588 -1.5984 2.00000
589 -1.4871 2.00000
590 -1.4192 2.00000
591 -1.3911 2.00000
592 -1.3573 2.00000
593 -1.2953 2.00000
594 0.0290 2.00000
595 0.2584 2.00000
596 1.5108 0.00000
597 1.7839 0.00000
598 2.6949 0.00000
599 2.9607 0.00000
600 3.0843 0.00000
601 3.2468 0.00000
602 3.3024 0.00000
603 3.4289 0.00000
604 3.5152 0.00000
605 3.5807 0.00000
606 3.6467 0.00000
607 3.6881 0.00000
608 3.7145 0.00000
609 3.7541 0.00000
610 3.7908 0.00000
611 3.8293 0.00000
612 3.8648 0.00000
613 3.9268 0.00000
614 3.9349 0.00000
615 3.9715 0.00000
616 4.0114 0.00000
617 4.0504 0.00000
618 4.0606 0.00000
619 4.0884 0.00000
620 4.0897 0.00000
621 4.1571 0.00000
622 4.1596 0.00000
623 4.2017 0.00000
624 4.2185 0.00000
625 4.2664 0.00000
626 4.2800 0.00000
627 4.2825 0.00000
628 4.3118 0.00000
629 4.3341 0.00000
630 4.3488 0.00000
631 4.3884 0.00000
632 4.4304 0.00000
633 4.4455 0.00000
634 4.4514 0.00000
635 4.4782 0.00000
636 4.5120 0.00000
637 4.5174 0.00000
638 4.5510 0.00000
639 4.5674 0.00000
640 4.5840 0.00000
641 4.6042 0.00000
642 4.6095 0.00000
643 4.6197 0.00000
644 4.6277 0.00000
645 4.6558 0.00000
646 4.6896 0.00000
647 4.7067 0.00000
648 4.7166 0.00000
649 4.7467 0.00000
650 4.7502 0.00000
651 4.7657 0.00000
652 4.7908 0.00000
653 4.8139 0.00000
654 4.8369 0.00000
655 4.8466 0.00000
656 4.8595 0.00000
657 4.8832 0.00000
658 4.8890 0.00000
659 4.9215 0.00000
660 4.9275 0.00000
661 4.9467 0.00000
662 4.9587 0.00000
663 4.9875 0.00000
664 4.9999 0.00000
665 5.0090 0.00000
666 5.0260 0.00000
667 5.0382 0.00000
668 5.0461 0.00000
669 5.0654 0.00000
670 5.0905 0.00000
671 5.1049 0.00000
672 5.1154 0.00000
673 5.1281 0.00000
674 5.1458 0.00000
675 5.1630 0.00000
676 5.1647 0.00000
677 5.1683 0.00000
678 5.1801 0.00000
679 5.1989 0.00000
680 5.2159 0.00000
681 5.2295 0.00000
682 5.2337 0.00000
683 5.2586 0.00000
684 5.2658 0.00000
685 5.2794 0.00000
686 5.3038 0.00000
687 5.3117 0.00000
688 5.3371 0.00000
689 5.3496 0.00000
690 5.3524 0.00000
691 5.3912 0.00000
692 5.3928 0.00000
693 5.3986 0.00000
694 5.4006 0.00000
695 5.4171 0.00000
696 5.4349 0.00000
697 5.4447 0.00000
698 5.4545 0.00000
699 5.4655 0.00000
700 5.4858 0.00000
701 5.4987 0.00000
702 5.5081 0.00000
703 5.5261 0.00000
704 5.5449 0.00000
705 5.5541 0.00000
706 5.5768 0.00000
707 5.5817 0.00000
708 5.5910 0.00000
709 5.6274 0.00000
710 5.6343 0.00000
711 5.6410 0.00000
712 5.6537 0.00000
713 5.6627 0.00000
714 5.6720 0.00000
715 5.6952 0.00000
716 5.7164 0.00000
717 5.7378 0.00000
718 5.7424 0.00000
719 5.7635 0.00000
720 5.7731 0.00000
721 5.7921 0.00000
722 5.7940 0.00000
723 5.8069 0.00000
724 5.8207 0.00000
725 5.8358 0.00000
726 5.8558 0.00000
727 5.8737 0.00000
728 5.8872 0.00000
729 5.9126 0.00000
730 5.9221 0.00000
731 5.9356 0.00000
732 5.9424 0.00000
733 5.9658 0.00000
734 5.9808 0.00000
735 5.9857 0.00000
736 6.0030 0.00000
737 6.0138 0.00000
738 6.0164 0.00000
739 6.0418 0.00000
740 6.0567 0.00000
741 6.0651 0.00000
742 6.0748 0.00000
743 6.0970 0.00000
744 6.1054 0.00000
745 6.1183 0.00000
746 6.1264 0.00000
747 6.1466 0.00000
748 6.1527 0.00000
749 6.1690 0.00000
750 6.1879 0.00000
751 6.2184 0.00000
752 6.2364 0.00000
753 6.2546 0.00000
754 6.2578 0.00000
755 6.2778 0.00000
756 6.2954 0.00000
757 6.3071 0.00000
758 6.3146 0.00000
759 6.3249 0.00000
760 6.3584 0.00000
761 6.3617 0.00000
762 6.3884 0.00000
763 6.3923 0.00000
764 6.4054 0.00000
765 6.4107 0.00000
766 6.4291 0.00000
767 6.4318 0.00000
768 6.4604 0.00000
769 6.4681 0.00000
770 6.4790 0.00000
771 6.4882 0.00000
772 6.4990 0.00000
773 6.5140 0.00000
774 6.5385 0.00000
775 6.5446 0.00000
776 6.5567 0.00000
777 6.5796 0.00000
778 6.5825 0.00000
779 6.6107 0.00000
780 6.6484 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -21.4177 2.00000
2 -20.9058 2.00000
3 -20.7137 2.00000
4 -20.5611 2.00000
5 -20.5590 2.00000
6 -20.5003 2.00000
7 -20.4861 2.00000
8 -20.4355 2.00000
9 -20.4093 2.00000
10 -20.3737 2.00000
11 -20.3580 2.00000
12 -20.3249 2.00000
13 -20.2117 2.00000
14 -20.2065 2.00000
15 -20.1405 2.00000
16 -20.0547 2.00000
17 -20.0442 2.00000
18 -20.0252 2.00000
19 -20.0025 2.00000
20 -19.9975 2.00000
21 -19.9777 2.00000
22 -19.9729 2.00000
23 -19.9451 2.00000
24 -19.9351 2.00000
25 -19.9324 2.00000
26 -19.8945 2.00000
27 -19.8910 2.00000
28 -19.8511 2.00000
29 -19.8364 2.00000
30 -19.8261 2.00000
31 -19.8136 2.00000
32 -19.7567 2.00000
33 -19.7469 2.00000
34 -19.7319 2.00000
35 -19.7211 2.00000
36 -19.6712 2.00000
37 -19.6357 2.00000
38 -19.5996 2.00000
39 -19.5667 2.00000
40 -19.5649 2.00000
41 -19.5349 2.00000
42 -19.5111 2.00000
43 -19.4958 2.00000
44 -19.4785 2.00000
45 -19.4760 2.00000
46 -19.4287 2.00000
47 -19.4070 2.00000
48 -19.3657 2.00000
49 -19.3460 2.00000
50 -19.3426 2.00000
51 -19.3297 2.00000
52 -19.3216 2.00000
53 -19.3028 2.00000
54 -19.2725 2.00000
55 -19.2702 2.00000
56 -19.2462 2.00000
57 -19.2264 2.00000
58 -19.2240 2.00000
59 -19.2056 2.00000
60 -19.1928 2.00000
61 -19.1750 2.00000
62 -19.1699 2.00000
63 -19.1663 2.00000
64 -19.1436 2.00000
65 -19.1240 2.00000
66 -19.1187 2.00000
67 -19.1107 2.00000
68 -19.1041 2.00000
69 -19.0755 2.00000
70 -19.0451 2.00000
71 -19.0441 2.00000
72 -19.0220 2.00000
73 -19.0018 2.00000
74 -18.9878 2.00000
75 -18.9708 2.00000
76 -18.9685 2.00000
77 -18.9422 2.00000
78 -18.9290 2.00000
79 -18.9255 2.00000
80 -18.9056 2.00000
81 -18.8824 2.00000
82 -18.8331 2.00000
83 -18.7695 2.00000
84 -18.6452 2.00000
85 -18.0889 2.00000
86 -17.8281 2.00000
87 -15.6562 2.00000
88 -13.9967 2.00000
89 -13.3340 2.00000
90 -13.2089 2.00000
91 -13.1226 2.00000
92 -13.1143 2.00000
93 -13.0347 2.00000
94 -12.9992 2.00000
95 -12.9807 2.00000
96 -12.9439 2.00000
97 -12.9322 2.00000
98 -12.8961 2.00000
99 -12.8906 2.00000
100 -12.8615 2.00000
101 -12.8408 2.00000
102 -12.7900 2.00000
103 -12.7636 2.00000
104 -12.7379 2.00000
105 -12.6982 2.00000
106 -12.6589 2.00000
107 -12.5936 2.00000
108 -12.5834 2.00000
109 -12.5408 2.00000
110 -12.5138 2.00000
111 -12.5105 2.00000
112 -12.4655 2.00000
113 -12.4576 2.00000
114 -12.4368 2.00000
115 -12.4248 2.00000
116 -12.3706 2.00000
117 -12.3463 2.00000
118 -12.3185 2.00000
119 -12.2821 2.00000
120 -12.2783 2.00000
121 -12.2598 2.00000
122 -12.2420 2.00000
123 -12.1907 2.00000
124 -12.1816 2.00000
125 -12.1769 2.00000
126 -12.1088 2.00000
127 -12.0805 2.00000
128 -12.0564 2.00000
129 -12.0340 2.00000
130 -12.0194 2.00000
131 -12.0142 2.00000
132 -12.0041 2.00000
133 -11.9957 2.00000
134 -11.9641 2.00000
135 -11.9007 2.00000
136 -11.8680 2.00000
137 -11.8566 2.00000
138 -11.8373 2.00000
139 -11.8303 2.00000
140 -11.8138 2.00000
141 -11.7919 2.00000
142 -11.7515 2.00000
143 -11.7062 2.00000
144 -11.6453 2.00000
145 -11.5689 2.00000
146 -11.5271 2.00000
147 -11.4599 2.00000
148 -10.8631 2.00000
149 -10.7492 2.00000
150 -10.5185 2.00000
151 -10.3919 2.00000
152 -10.2716 2.00000
153 -10.1796 2.00000
154 -10.1189 2.00000
155 -10.0429 2.00000
156 -9.9465 2.00000
157 -9.9080 2.00000
158 -9.8237 2.00000
159 -9.7996 2.00000
160 -9.7718 2.00000
161 -9.7149 2.00000
162 -9.6792 2.00000
163 -9.6226 2.00000
164 -9.5823 2.00000
165 -9.5114 2.00000
166 -9.4783 2.00000
167 -9.3913 2.00000
168 -9.3784 2.00000
169 -9.3456 2.00000
170 -9.3272 2.00000
171 -9.2248 2.00000
172 -9.1457 2.00000
173 -9.1066 2.00000
174 -9.0790 2.00000
175 -9.0238 2.00000
176 -8.9509 2.00000
177 -8.9262 2.00000
178 -8.8799 2.00000
179 -8.8148 2.00000
180 -8.7742 2.00000
181 -8.7061 2.00000
182 -8.6740 2.00000
183 -8.6195 2.00000
184 -8.5830 2.00000
185 -8.4808 2.00000
186 -8.4593 2.00000
187 -8.3995 2.00000
188 -8.3514 2.00000
189 -8.3434 2.00000
190 -8.3263 2.00000
191 -8.2730 2.00000
192 -8.1179 2.00000
193 -8.1065 2.00000
194 -8.0597 2.00000
195 -8.0087 2.00000
196 -7.9867 2.00000
197 -7.9354 2.00000
198 -7.9123 2.00000
199 -7.8555 2.00000
200 -7.8424 2.00000
201 -7.8176 2.00000
202 -7.7746 2.00000
203 -7.7439 2.00000
204 -7.7023 2.00000
205 -7.6869 2.00000
206 -7.6787 2.00000
207 -7.6489 2.00000
208 -7.5890 2.00000
209 -7.5490 2.00000
210 -7.4746 2.00000
211 -7.4033 2.00000
212 -7.3787 2.00000
213 -7.3524 2.00000
214 -7.3380 2.00000
215 -7.2870 2.00000
216 -7.2491 2.00000
217 -7.2281 2.00000
218 -7.2117 2.00000
219 -7.1936 2.00000
220 -7.1537 2.00000
221 -7.1401 2.00000
222 -7.0999 2.00000
223 -7.0693 2.00000
224 -7.0487 2.00000
225 -7.0409 2.00000
226 -7.0169 2.00000
227 -6.9794 2.00000
228 -6.9496 2.00000
229 -6.9069 2.00000
230 -6.8665 2.00000
231 -6.7981 2.00000
232 -6.7285 2.00000
233 -6.7204 2.00000
234 -6.6035 2.00000
235 -6.3218 2.00000
236 -6.2969 2.00000
237 -6.2676 2.00000
238 -6.2585 2.00000
239 -6.2055 2.00000
240 -6.1958 2.00000
241 -6.1852 2.00000
242 -6.1166 2.00000
243 -6.1074 2.00000
244 -6.1030 2.00000
245 -6.0816 2.00000
246 -6.0657 2.00000
247 -6.0484 2.00000
248 -6.0300 2.00000
249 -6.0036 2.00000
250 -5.9821 2.00000
251 -5.9495 2.00000
252 -5.9340 2.00000
253 -5.9159 2.00000
254 -5.9041 2.00000
255 -5.8820 2.00000
256 -5.8779 2.00000
257 -5.8541 2.00000
258 -5.8400 2.00000
259 -5.8280 2.00000
260 -5.7989 2.00000
261 -5.7975 2.00000
262 -5.7843 2.00000
263 -5.7686 2.00000
264 -5.7566 2.00000
265 -5.7395 2.00000
266 -5.7283 2.00000
267 -5.7069 2.00000
268 -5.6984 2.00000
269 -5.6766 2.00000
270 -5.6605 2.00000
271 -5.6512 2.00000
272 -5.6242 2.00000
273 -5.6052 2.00000
274 -5.5869 2.00000
275 -5.5744 2.00000
276 -5.5674 2.00000
277 -5.5567 2.00000
278 -5.5385 2.00000
279 -5.5271 2.00000
280 -5.5193 2.00000
281 -5.5000 2.00000
282 -5.4949 2.00000
283 -5.4896 2.00000
284 -5.4700 2.00000
285 -5.4644 2.00000
286 -5.4402 2.00000
287 -5.4308 2.00000
288 -5.4262 2.00000
289 -5.4162 2.00000
290 -5.4029 2.00000
291 -5.3794 2.00000
292 -5.3693 2.00000
293 -5.3637 2.00000
294 -5.3489 2.00000
295 -5.3373 2.00000
296 -5.3245 2.00000
297 -5.3044 2.00000
298 -5.2956 2.00000
299 -5.2862 2.00000
300 -5.2692 2.00000
301 -5.2457 2.00000
302 -5.2395 2.00000
303 -5.2241 2.00000
304 -5.2172 2.00000
305 -5.2026 2.00000
306 -5.1870 2.00000
307 -5.1785 2.00000
308 -5.1564 2.00000
309 -5.1428 2.00000
310 -5.1353 2.00000
311 -5.1154 2.00000
312 -5.1122 2.00000
313 -5.0971 2.00000
314 -5.0835 2.00000
315 -5.0645 2.00000
316 -5.0503 2.00000
317 -5.0425 2.00000
318 -5.0076 2.00000
319 -4.9969 2.00000
320 -4.9844 2.00000
321 -4.9629 2.00000
322 -4.9445 2.00000
323 -4.9275 2.00000
324 -4.9219 2.00000
325 -4.9181 2.00000
326 -4.9098 2.00000
327 -4.8989 2.00000
328 -4.8845 2.00000
329 -4.8610 2.00000
330 -4.8455 2.00000
331 -4.8383 2.00000
332 -4.8303 2.00000
333 -4.8214 2.00000
334 -4.8180 2.00000
335 -4.7965 2.00000
336 -4.7905 2.00000
337 -4.7858 2.00000
338 -4.7781 2.00000
339 -4.7622 2.00000
340 -4.7577 2.00000
341 -4.7435 2.00000
342 -4.7347 2.00000
343 -4.7177 2.00000
344 -4.7070 2.00000
345 -4.6871 2.00000
346 -4.6838 2.00000
347 -4.6657 2.00000
348 -4.6513 2.00000
349 -4.6478 2.00000
350 -4.6236 2.00000
351 -4.6177 2.00000
352 -4.6130 2.00000
353 -4.5941 2.00000
354 -4.5923 2.00000
355 -4.5755 2.00000
356 -4.5666 2.00000
357 -4.5549 2.00000
358 -4.5345 2.00000
359 -4.5256 2.00000
360 -4.5194 2.00000
361 -4.5013 2.00000
362 -4.4940 2.00000
363 -4.4796 2.00000
364 -4.4631 2.00000
365 -4.4359 2.00000
366 -4.4329 2.00000
367 -4.4111 2.00000
368 -4.4004 2.00000
369 -4.3910 2.00000
370 -4.3659 2.00000
371 -4.3609 2.00000
372 -4.3490 2.00000
373 -4.3391 2.00000
374 -4.3191 2.00000
375 -4.3123 2.00000
376 -4.2922 2.00000
377 -4.2876 2.00000
378 -4.2829 2.00000
379 -4.2772 2.00000
380 -4.2572 2.00000
381 -4.2519 2.00000
382 -4.2355 2.00000
383 -4.2285 2.00000
384 -4.2128 2.00000
385 -4.2069 2.00000
386 -4.1875 2.00000
387 -4.1750 2.00000
388 -4.1696 2.00000
389 -4.1474 2.00000
390 -4.1328 2.00000
391 -4.1242 2.00000
392 -4.1094 2.00000
393 -4.1041 2.00000
394 -4.0914 2.00000
395 -4.0794 2.00000
396 -4.0590 2.00000
397 -4.0541 2.00000
398 -4.0523 2.00000
399 -4.0352 2.00000
400 -4.0173 2.00000
401 -4.0088 2.00000
402 -3.9969 2.00000
403 -3.9844 2.00000
404 -3.9765 2.00000
405 -3.9572 2.00000
406 -3.9562 2.00000
407 -3.9299 2.00000
408 -3.9269 2.00000
409 -3.9117 2.00000
410 -3.8918 2.00000
411 -3.8712 2.00000
412 -3.8657 2.00000
413 -3.8405 2.00000
414 -3.8253 2.00000
415 -3.8103 2.00000
416 -3.7997 2.00000
417 -3.7852 2.00000
418 -3.7797 2.00000
419 -3.7634 2.00000
420 -3.7477 2.00000
421 -3.7345 2.00000
422 -3.7322 2.00000
423 -3.7245 2.00000
424 -3.7104 2.00000
425 -3.7053 2.00000
426 -3.6977 2.00000
427 -3.6730 2.00000
428 -3.6574 2.00000
429 -3.6481 2.00000
430 -3.6446 2.00000
431 -3.6186 2.00000
432 -3.6179 2.00000
433 -3.6098 2.00000
434 -3.5991 2.00000
435 -3.5877 2.00000
436 -3.5799 2.00000
437 -3.5629 2.00000
438 -3.5603 2.00000
439 -3.5457 2.00000
440 -3.5363 2.00000
441 -3.5289 2.00000
442 -3.5220 2.00000
443 -3.5115 2.00000
444 -3.4851 2.00000
445 -3.4693 2.00000
446 -3.4642 2.00000
447 -3.4551 2.00000
448 -3.4426 2.00000
449 -3.4334 2.00000
450 -3.4268 2.00000
451 -3.4062 2.00000
452 -3.3960 2.00000
453 -3.3809 2.00000
454 -3.3777 2.00000
455 -3.3563 2.00000
456 -3.3470 2.00000
457 -3.3387 2.00000
458 -3.3257 2.00000
459 -3.3247 2.00000
460 -3.3160 2.00000
461 -3.2998 2.00000
462 -3.2955 2.00000
463 -3.2848 2.00000
464 -3.2724 2.00000
465 -3.2552 2.00000
466 -3.2448 2.00000
467 -3.2320 2.00000
468 -3.2221 2.00000
469 -3.2206 2.00000
470 -3.1967 2.00000
471 -3.1781 2.00000
472 -3.1661 2.00000
473 -3.1598 2.00000
474 -3.1536 2.00000
475 -3.1410 2.00000
476 -3.1339 2.00000
477 -3.1207 2.00000
478 -3.1140 2.00000
479 -3.0896 2.00000
480 -3.0781 2.00000
481 -3.0708 2.00000
482 -3.0647 2.00000
483 -3.0534 2.00000
484 -3.0470 2.00000
485 -3.0305 2.00000
486 -3.0153 2.00000
487 -2.9978 2.00000
488 -2.9930 2.00000
489 -2.9862 2.00000
490 -2.9761 2.00000
491 -2.9744 2.00000
492 -2.9602 2.00000
493 -2.9535 2.00000
494 -2.9351 2.00000
495 -2.9253 2.00000
496 -2.9060 2.00000
497 -2.8952 2.00000
498 -2.8872 2.00000
499 -2.8710 2.00000
500 -2.8587 2.00000
501 -2.8349 2.00000
502 -2.8311 2.00000
503 -2.8221 2.00000
504 -2.8075 2.00000
505 -2.8035 2.00000
506 -2.7941 2.00000
507 -2.7894 2.00000
508 -2.7652 2.00000
509 -2.7564 2.00000
510 -2.7493 2.00000
511 -2.7359 2.00000
512 -2.7230 2.00000
513 -2.7139 2.00000
514 -2.7024 2.00000
515 -2.6853 2.00000
516 -2.6775 2.00000
517 -2.6696 2.00000
518 -2.6535 2.00000
519 -2.6495 2.00000
520 -2.6412 2.00000
521 -2.6203 2.00000
522 -2.5983 2.00000
523 -2.5883 2.00000
524 -2.5831 2.00000
525 -2.5723 2.00000
526 -2.5650 2.00000
527 -2.5531 2.00000
528 -2.5385 2.00000
529 -2.5298 2.00000
530 -2.5246 2.00000
531 -2.5132 2.00000
532 -2.4897 2.00000
533 -2.4786 2.00000
534 -2.4596 2.00000
535 -2.4409 2.00000
536 -2.4292 2.00000
537 -2.4251 2.00000
538 -2.4138 2.00000
539 -2.4057 2.00000
540 -2.3785 2.00000
541 -2.3619 2.00000
542 -2.3509 2.00000
543 -2.3317 2.00000
544 -2.3165 2.00000
545 -2.2904 2.00000
546 -2.2851 2.00000
547 -2.2782 2.00000
548 -2.2487 2.00000
549 -2.2399 2.00000
550 -2.2316 2.00000
551 -2.2135 2.00000
552 -2.2091 2.00000
553 -2.1844 2.00000
554 -2.1658 2.00000
555 -2.1493 2.00000
556 -2.1463 2.00000
557 -2.1428 2.00000
558 -2.1235 2.00000
559 -2.1121 2.00000
560 -2.1016 2.00000
561 -2.0750 2.00000
562 -2.0646 2.00000
563 -2.0588 2.00000
564 -2.0302 2.00000
565 -2.0168 2.00000
566 -2.0010 2.00000
567 -1.9846 2.00000
568 -1.9677 2.00000
569 -1.9366 2.00000
570 -1.9264 2.00000
571 -1.9107 2.00000
572 -1.9018 2.00000
573 -1.8908 2.00000
574 -1.8681 2.00000
575 -1.8533 2.00000
576 -1.8258 2.00000
577 -1.8208 2.00000
578 -1.8113 2.00000
579 -1.7938 2.00000
580 -1.7799 2.00000
581 -1.7724 2.00000
582 -1.7560 2.00000
583 -1.7337 2.00000
584 -1.6930 2.00000
585 -1.6860 2.00000
586 -1.6726 2.00000
587 -1.6185 2.00000
588 -1.5941 2.00000
589 -1.4877 2.00000
590 -1.4227 2.00000
591 -1.3965 2.00000
592 -1.3486 2.00000
593 -1.2970 2.00000
594 0.0291 2.00000
595 0.2585 2.00000
596 1.5120 0.00000
597 1.7876 0.00000
598 2.7986 0.00000
599 2.9190 0.00000
600 3.1212 0.00000
601 3.2070 0.00000
602 3.2513 0.00000
603 3.4324 0.00000
604 3.4768 0.00000
605 3.5377 0.00000
606 3.6130 0.00000
607 3.6793 0.00000
608 3.7056 0.00000
609 3.7693 0.00000
610 3.8054 0.00000
611 3.8564 0.00000
612 3.8780 0.00000
613 3.9060 0.00000
614 3.9598 0.00000
615 3.9705 0.00000
616 4.0134 0.00000
617 4.0348 0.00000
618 4.0596 0.00000
619 4.1057 0.00000
620 4.1257 0.00000
621 4.1412 0.00000
622 4.2014 0.00000
623 4.2092 0.00000
624 4.2293 0.00000
625 4.2440 0.00000
626 4.2711 0.00000
627 4.2798 0.00000
628 4.3256 0.00000
629 4.3472 0.00000
630 4.3602 0.00000
631 4.3749 0.00000
632 4.4046 0.00000
633 4.4250 0.00000
634 4.4427 0.00000
635 4.4818 0.00000
636 4.5199 0.00000
637 4.5389 0.00000
638 4.5551 0.00000
639 4.5610 0.00000
640 4.5699 0.00000
641 4.6046 0.00000
642 4.6140 0.00000
643 4.6265 0.00000
644 4.6404 0.00000
645 4.6543 0.00000
646 4.6856 0.00000
647 4.7092 0.00000
648 4.7211 0.00000
649 4.7376 0.00000
650 4.7528 0.00000
651 4.7704 0.00000
652 4.7935 0.00000
653 4.8016 0.00000
654 4.8175 0.00000
655 4.8549 0.00000
656 4.8817 0.00000
657 4.8891 0.00000
658 4.9091 0.00000
659 4.9229 0.00000
660 4.9345 0.00000
661 4.9458 0.00000
662 4.9571 0.00000
663 4.9597 0.00000
664 4.9760 0.00000
665 5.0016 0.00000
666 5.0069 0.00000
667 5.0107 0.00000
668 5.0387 0.00000
669 5.0536 0.00000
670 5.0947 0.00000
671 5.1100 0.00000
672 5.1163 0.00000
673 5.1248 0.00000
674 5.1361 0.00000
675 5.1460 0.00000
676 5.1729 0.00000
677 5.1947 0.00000
678 5.1967 0.00000
679 5.2125 0.00000
680 5.2244 0.00000
681 5.2275 0.00000
682 5.2506 0.00000
683 5.2717 0.00000
684 5.2808 0.00000
685 5.2957 0.00000
686 5.3005 0.00000
687 5.3108 0.00000
688 5.3158 0.00000
689 5.3289 0.00000
690 5.3409 0.00000
691 5.3662 0.00000
692 5.3741 0.00000
693 5.3895 0.00000
694 5.3962 0.00000
695 5.4161 0.00000
696 5.4213 0.00000
697 5.4220 0.00000
698 5.4350 0.00000
699 5.4770 0.00000
700 5.4810 0.00000
701 5.4941 0.00000
702 5.5101 0.00000
703 5.5202 0.00000
704 5.5542 0.00000
705 5.5638 0.00000
706 5.5813 0.00000
707 5.6070 0.00000
708 5.6117 0.00000
709 5.6328 0.00000
710 5.6437 0.00000
711 5.6480 0.00000
712 5.6677 0.00000
713 5.6938 0.00000
714 5.6981 0.00000
715 5.7176 0.00000
716 5.7344 0.00000
717 5.7425 0.00000
718 5.7522 0.00000
719 5.7614 0.00000
720 5.7923 0.00000
721 5.7958 0.00000
722 5.8077 0.00000
723 5.8194 0.00000
724 5.8392 0.00000
725 5.8477 0.00000
726 5.8632 0.00000
727 5.8712 0.00000
728 5.8842 0.00000
729 5.8961 0.00000
730 5.9085 0.00000
731 5.9297 0.00000
732 5.9514 0.00000
733 5.9587 0.00000
734 5.9658 0.00000
735 5.9930 0.00000
736 5.9986 0.00000
737 6.0203 0.00000
738 6.0275 0.00000
739 6.0376 0.00000
740 6.0463 0.00000
741 6.0607 0.00000
742 6.0758 0.00000
743 6.0849 0.00000
744 6.1022 0.00000
745 6.1260 0.00000
746 6.1426 0.00000
747 6.1624 0.00000
748 6.1716 0.00000
749 6.1966 0.00000
750 6.2087 0.00000
751 6.2164 0.00000
752 6.2366 0.00000
753 6.2433 0.00000
754 6.2608 0.00000
755 6.2678 0.00000
756 6.2758 0.00000
757 6.2796 0.00000
758 6.3071 0.00000
759 6.3135 0.00000
760 6.3260 0.00000
761 6.3400 0.00000
762 6.3548 0.00000
763 6.3831 0.00000
764 6.3884 0.00000
765 6.4051 0.00000
766 6.4304 0.00000
767 6.4429 0.00000
768 6.4522 0.00000
769 6.4589 0.00000
770 6.4750 0.00000
771 6.4971 0.00000
772 6.5089 0.00000
773 6.5153 0.00000
774 6.5344 0.00000
775 6.5434 0.00000
776 6.5660 0.00000
777 6.5739 0.00000
778 6.5812 0.00000
779 6.6055 0.00000
780 6.6218 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -21.4177 2.00000
2 -20.9057 2.00000
3 -20.7138 2.00000
4 -20.5612 2.00000
5 -20.5589 2.00000
6 -20.5003 2.00000
7 -20.4862 2.00000
8 -20.4351 2.00000
9 -20.4093 2.00000
10 -20.3735 2.00000
11 -20.3579 2.00000
12 -20.3260 2.00000
13 -20.2113 2.00000
14 -20.2065 2.00000
15 -20.1407 2.00000
16 -20.0545 2.00000
17 -20.0367 2.00000
18 -20.0292 2.00000
19 -20.0039 2.00000
20 -19.9981 2.00000
21 -19.9777 2.00000
22 -19.9750 2.00000
23 -19.9467 2.00000
24 -19.9373 2.00000
25 -19.9248 2.00000
26 -19.8940 2.00000
27 -19.8892 2.00000
28 -19.8537 2.00000
29 -19.8468 2.00000
30 -19.8271 2.00000
31 -19.8075 2.00000
32 -19.7550 2.00000
33 -19.7469 2.00000
34 -19.7330 2.00000
35 -19.7210 2.00000
36 -19.6691 2.00000
37 -19.6322 2.00000
38 -19.5994 2.00000
39 -19.5670 2.00000
40 -19.5663 2.00000
41 -19.5336 2.00000
42 -19.5158 2.00000
43 -19.4958 2.00000
44 -19.4820 2.00000
45 -19.4702 2.00000
46 -19.4287 2.00000
47 -19.4064 2.00000
48 -19.3674 2.00000
49 -19.3481 2.00000
50 -19.3410 2.00000
51 -19.3244 2.00000
52 -19.3222 2.00000
53 -19.3037 2.00000
54 -19.2761 2.00000
55 -19.2717 2.00000
56 -19.2477 2.00000
57 -19.2264 2.00000
58 -19.2239 2.00000
59 -19.2137 2.00000
60 -19.1913 2.00000
61 -19.1765 2.00000
62 -19.1709 2.00000
63 -19.1486 2.00000
64 -19.1383 2.00000
65 -19.1339 2.00000
66 -19.1196 2.00000
67 -19.1040 2.00000
68 -19.1024 2.00000
69 -19.0759 2.00000
70 -19.0533 2.00000
71 -19.0449 2.00000
72 -19.0220 2.00000
73 -19.0026 2.00000
74 -18.9860 2.00000
75 -18.9714 2.00000
76 -18.9683 2.00000
77 -18.9435 2.00000
78 -18.9270 2.00000
79 -18.9257 2.00000
80 -18.9056 2.00000
81 -18.8824 2.00000
82 -18.8330 2.00000
83 -18.7696 2.00000
84 -18.6452 2.00000
85 -18.0889 2.00000
86 -17.8281 2.00000
87 -15.6562 2.00000
88 -13.9966 2.00000
89 -13.3361 2.00000
90 -13.2082 2.00000
91 -13.1364 2.00000
92 -13.0928 2.00000
93 -13.0327 2.00000
94 -12.9998 2.00000
95 -12.9833 2.00000
96 -12.9461 2.00000
97 -12.9308 2.00000
98 -12.9021 2.00000
99 -12.8955 2.00000
100 -12.8583 2.00000
101 -12.8426 2.00000
102 -12.7885 2.00000
103 -12.7555 2.00000
104 -12.7479 2.00000
105 -12.6970 2.00000
106 -12.6612 2.00000
107 -12.5787 2.00000
108 -12.5664 2.00000
109 -12.5617 2.00000
110 -12.5372 2.00000
111 -12.5001 2.00000
112 -12.4672 2.00000
113 -12.4495 2.00000
114 -12.4302 2.00000
115 -12.4222 2.00000
116 -12.3722 2.00000
117 -12.3452 2.00000
118 -12.3235 2.00000
119 -12.2797 2.00000
120 -12.2788 2.00000
121 -12.2614 2.00000
122 -12.2444 2.00000
123 -12.1904 2.00000
124 -12.1824 2.00000
125 -12.1766 2.00000
126 -12.1054 2.00000
127 -12.0776 2.00000
128 -12.0567 2.00000
129 -12.0312 2.00000
130 -12.0229 2.00000
131 -12.0178 2.00000
132 -12.0124 2.00000
133 -11.9891 2.00000
134 -11.9645 2.00000
135 -11.9013 2.00000
136 -11.8664 2.00000
137 -11.8548 2.00000
138 -11.8383 2.00000
139 -11.8299 2.00000
140 -11.8143 2.00000
141 -11.7922 2.00000
142 -11.7529 2.00000
143 -11.7053 2.00000
144 -11.6451 2.00000
145 -11.5667 2.00000
146 -11.5292 2.00000
147 -11.4594 2.00000
148 -10.8654 2.00000
149 -10.7413 2.00000
150 -10.5204 2.00000
151 -10.3606 2.00000
152 -10.2917 2.00000
153 -10.2542 2.00000
154 -10.1460 2.00000
155 -10.0071 2.00000
156 -9.9703 2.00000
157 -9.8298 2.00000
158 -9.8238 2.00000
159 -9.7872 2.00000
160 -9.7367 2.00000
161 -9.7293 2.00000
162 -9.6557 2.00000
163 -9.6036 2.00000
164 -9.5566 2.00000
165 -9.5383 2.00000
166 -9.4966 2.00000
167 -9.4608 2.00000
168 -9.3308 2.00000
169 -9.2967 2.00000
170 -9.2621 2.00000
171 -9.2519 2.00000
172 -9.2361 2.00000
173 -9.1566 2.00000
174 -9.1294 2.00000
175 -8.9901 2.00000
176 -8.9582 2.00000
177 -8.9079 2.00000
178 -8.9004 2.00000
179 -8.8442 2.00000
180 -8.7806 2.00000
181 -8.7294 2.00000
182 -8.6497 2.00000
183 -8.6144 2.00000
184 -8.5715 2.00000
185 -8.4545 2.00000
186 -8.4414 2.00000
187 -8.4280 2.00000
188 -8.3499 2.00000
189 -8.3025 2.00000
190 -8.2463 2.00000
191 -8.2403 2.00000
192 -8.1855 2.00000
193 -8.0849 2.00000
194 -8.0720 2.00000
195 -8.0634 2.00000
196 -7.9678 2.00000
197 -7.9324 2.00000
198 -7.9146 2.00000
199 -7.8572 2.00000
200 -7.8259 2.00000
201 -7.7949 2.00000
202 -7.7858 2.00000
203 -7.7594 2.00000
204 -7.7203 2.00000
205 -7.6983 2.00000
206 -7.6785 2.00000
207 -7.6405 2.00000
208 -7.5862 2.00000
209 -7.5600 2.00000
210 -7.4964 2.00000
211 -7.4373 2.00000
212 -7.3682 2.00000
213 -7.3219 2.00000
214 -7.3159 2.00000
215 -7.2876 2.00000
216 -7.2481 2.00000
217 -7.2226 2.00000
218 -7.2071 2.00000
219 -7.1937 2.00000
220 -7.1678 2.00000
221 -7.1535 2.00000
222 -7.1184 2.00000
223 -7.0659 2.00000
224 -7.0511 2.00000
225 -7.0398 2.00000
226 -7.0090 2.00000
227 -6.9786 2.00000
228 -6.9346 2.00000
229 -6.9066 2.00000
230 -6.8618 2.00000
231 -6.7983 2.00000
232 -6.7269 2.00000
233 -6.7211 2.00000
234 -6.6004 2.00000
235 -6.3228 2.00000
236 -6.2882 2.00000
237 -6.2684 2.00000
238 -6.2636 2.00000
239 -6.2240 2.00000
240 -6.2006 2.00000
241 -6.1669 2.00000
242 -6.1198 2.00000
243 -6.1056 2.00000
244 -6.0992 2.00000
245 -6.0849 2.00000
246 -6.0632 2.00000
247 -6.0500 2.00000
248 -6.0384 2.00000
249 -6.0023 2.00000
250 -5.9794 2.00000
251 -5.9602 2.00000
252 -5.9374 2.00000
253 -5.9114 2.00000
254 -5.8992 2.00000
255 -5.8750 2.00000
256 -5.8630 2.00000
257 -5.8586 2.00000
258 -5.8351 2.00000
259 -5.8247 2.00000
260 -5.8055 2.00000
261 -5.7977 2.00000
262 -5.7865 2.00000
263 -5.7741 2.00000
264 -5.7604 2.00000
265 -5.7440 2.00000
266 -5.7311 2.00000
267 -5.7046 2.00000
268 -5.6994 2.00000
269 -5.6818 2.00000
270 -5.6732 2.00000
271 -5.6527 2.00000
272 -5.6319 2.00000
273 -5.6217 2.00000
274 -5.5831 2.00000
275 -5.5734 2.00000
276 -5.5559 2.00000
277 -5.5452 2.00000
278 -5.5311 2.00000
279 -5.5249 2.00000
280 -5.5205 2.00000
281 -5.4962 2.00000
282 -5.4855 2.00000
283 -5.4809 2.00000
284 -5.4695 2.00000
285 -5.4629 2.00000
286 -5.4565 2.00000
287 -5.4449 2.00000
288 -5.4232 2.00000
289 -5.3934 2.00000
290 -5.3900 2.00000
291 -5.3765 2.00000
292 -5.3685 2.00000
293 -5.3674 2.00000
294 -5.3443 2.00000
295 -5.3367 2.00000
296 -5.3271 2.00000
297 -5.3130 2.00000
298 -5.2932 2.00000
299 -5.2796 2.00000
300 -5.2655 2.00000
301 -5.2506 2.00000
302 -5.2469 2.00000
303 -5.2300 2.00000
304 -5.2065 2.00000
305 -5.1978 2.00000
306 -5.1965 2.00000
307 -5.1788 2.00000
308 -5.1532 2.00000
309 -5.1418 2.00000
310 -5.1287 2.00000
311 -5.1203 2.00000
312 -5.1108 2.00000
313 -5.0937 2.00000
314 -5.0881 2.00000
315 -5.0653 2.00000
316 -5.0489 2.00000
317 -5.0421 2.00000
318 -5.0156 2.00000
319 -4.9989 2.00000
320 -4.9867 2.00000
321 -4.9742 2.00000
322 -4.9491 2.00000
323 -4.9375 2.00000
324 -4.9247 2.00000
325 -4.9183 2.00000
326 -4.9039 2.00000
327 -4.8837 2.00000
328 -4.8763 2.00000
329 -4.8591 2.00000
330 -4.8533 2.00000
331 -4.8441 2.00000
332 -4.8325 2.00000
333 -4.8274 2.00000
334 -4.8147 2.00000
335 -4.8034 2.00000
336 -4.7916 2.00000
337 -4.7804 2.00000
338 -4.7768 2.00000
339 -4.7674 2.00000
340 -4.7601 2.00000
341 -4.7410 2.00000
342 -4.7205 2.00000
343 -4.7152 2.00000
344 -4.7044 2.00000
345 -4.6911 2.00000
346 -4.6766 2.00000
347 -4.6697 2.00000
348 -4.6529 2.00000
349 -4.6448 2.00000
350 -4.6309 2.00000
351 -4.6150 2.00000
352 -4.6054 2.00000
353 -4.5941 2.00000
354 -4.5854 2.00000
355 -4.5674 2.00000
356 -4.5526 2.00000
357 -4.5512 2.00000
358 -4.5378 2.00000
359 -4.5230 2.00000
360 -4.5192 2.00000
361 -4.5106 2.00000
362 -4.4893 2.00000
363 -4.4802 2.00000
364 -4.4617 2.00000
365 -4.4512 2.00000
366 -4.4431 2.00000
367 -4.4302 2.00000
368 -4.4175 2.00000
369 -4.4028 2.00000
370 -4.3840 2.00000
371 -4.3616 2.00000
372 -4.3462 2.00000
373 -4.3315 2.00000
374 -4.3263 2.00000
375 -4.3204 2.00000
376 -4.3105 2.00000
377 -4.2870 2.00000
378 -4.2810 2.00000
379 -4.2647 2.00000
380 -4.2473 2.00000
381 -4.2360 2.00000
382 -4.2335 2.00000
383 -4.2227 2.00000
384 -4.2096 2.00000
385 -4.1965 2.00000
386 -4.1830 2.00000
387 -4.1721 2.00000
388 -4.1512 2.00000
389 -4.1470 2.00000
390 -4.1352 2.00000
391 -4.1304 2.00000
392 -4.1119 2.00000
393 -4.0886 2.00000
394 -4.0847 2.00000
395 -4.0759 2.00000
396 -4.0673 2.00000
397 -4.0635 2.00000
398 -4.0481 2.00000
399 -4.0401 2.00000
400 -4.0236 2.00000
401 -4.0186 2.00000
402 -3.9878 2.00000
403 -3.9782 2.00000
404 -3.9630 2.00000
405 -3.9494 2.00000
406 -3.9448 2.00000
407 -3.9294 2.00000
408 -3.9165 2.00000
409 -3.9113 2.00000
410 -3.8972 2.00000
411 -3.8786 2.00000
412 -3.8630 2.00000
413 -3.8501 2.00000
414 -3.8423 2.00000
415 -3.8183 2.00000
416 -3.8080 2.00000
417 -3.7875 2.00000
418 -3.7772 2.00000
419 -3.7639 2.00000
420 -3.7610 2.00000
421 -3.7414 2.00000
422 -3.7237 2.00000
423 -3.7137 2.00000
424 -3.6966 2.00000
425 -3.6896 2.00000
426 -3.6868 2.00000
427 -3.6713 2.00000
428 -3.6655 2.00000
429 -3.6626 2.00000
430 -3.6423 2.00000
431 -3.6357 2.00000
432 -3.6252 2.00000
433 -3.6177 2.00000
434 -3.6093 2.00000
435 -3.6012 2.00000
436 -3.5895 2.00000
437 -3.5666 2.00000
438 -3.5568 2.00000
439 -3.5418 2.00000
440 -3.5354 2.00000
441 -3.5194 2.00000
442 -3.5040 2.00000
443 -3.5002 2.00000
444 -3.4927 2.00000
445 -3.4769 2.00000
446 -3.4590 2.00000
447 -3.4466 2.00000
448 -3.4423 2.00000
449 -3.4384 2.00000
450 -3.4252 2.00000
451 -3.4154 2.00000
452 -3.4027 2.00000
453 -3.3982 2.00000
454 -3.3659 2.00000
455 -3.3558 2.00000
456 -3.3457 2.00000
457 -3.3378 2.00000
458 -3.3327 2.00000
459 -3.3243 2.00000
460 -3.2958 2.00000
461 -3.2950 2.00000
462 -3.2795 2.00000
463 -3.2709 2.00000
464 -3.2600 2.00000
465 -3.2521 2.00000
466 -3.2478 2.00000
467 -3.2288 2.00000
468 -3.2106 2.00000
469 -3.1911 2.00000
470 -3.1900 2.00000
471 -3.1835 2.00000
472 -3.1701 2.00000
473 -3.1680 2.00000
474 -3.1580 2.00000
475 -3.1355 2.00000
476 -3.1285 2.00000
477 -3.1256 2.00000
478 -3.1121 2.00000
479 -3.1010 2.00000
480 -3.0921 2.00000
481 -3.0846 2.00000
482 -3.0738 2.00000
483 -3.0491 2.00000
484 -3.0390 2.00000
485 -3.0331 2.00000
486 -3.0193 2.00000
487 -3.0118 2.00000
488 -2.9854 2.00000
489 -2.9828 2.00000
490 -2.9753 2.00000
491 -2.9690 2.00000
492 -2.9545 2.00000
493 -2.9469 2.00000
494 -2.9423 2.00000
495 -2.9092 2.00000
496 -2.9034 2.00000
497 -2.8958 2.00000
498 -2.8825 2.00000
499 -2.8787 2.00000
500 -2.8603 2.00000
501 -2.8518 2.00000
502 -2.8399 2.00000
503 -2.8328 2.00000
504 -2.8140 2.00000
505 -2.8086 2.00000
506 -2.8023 2.00000
507 -2.7953 2.00000
508 -2.7845 2.00000
509 -2.7674 2.00000
510 -2.7511 2.00000
511 -2.7445 2.00000
512 -2.7280 2.00000
513 -2.7170 2.00000
514 -2.7086 2.00000
515 -2.6962 2.00000
516 -2.6769 2.00000
517 -2.6636 2.00000
518 -2.6568 2.00000
519 -2.6384 2.00000
520 -2.6287 2.00000
521 -2.6123 2.00000
522 -2.6030 2.00000
523 -2.5975 2.00000
524 -2.5765 2.00000
525 -2.5702 2.00000
526 -2.5507 2.00000
527 -2.5422 2.00000
528 -2.5360 2.00000
529 -2.5186 2.00000
530 -2.5141 2.00000
531 -2.4997 2.00000
532 -2.4860 2.00000
533 -2.4772 2.00000
534 -2.4616 2.00000
535 -2.4509 2.00000
536 -2.4483 2.00000
537 -2.4284 2.00000
538 -2.4094 2.00000
539 -2.3849 2.00000
540 -2.3774 2.00000
541 -2.3730 2.00000
542 -2.3555 2.00000
543 -2.3442 2.00000
544 -2.3333 2.00000
545 -2.3004 2.00000
546 -2.2913 2.00000
547 -2.2730 2.00000
548 -2.2363 2.00000
549 -2.2337 2.00000
550 -2.2226 2.00000
551 -2.2151 2.00000
552 -2.1992 2.00000
553 -2.1839 2.00000
554 -2.1797 2.00000
555 -2.1559 2.00000
556 -2.1517 2.00000
557 -2.1338 2.00000
558 -2.1163 2.00000
559 -2.1031 2.00000
560 -2.0979 2.00000
561 -2.0811 2.00000
562 -2.0712 2.00000
563 -2.0506 2.00000
564 -2.0299 2.00000
565 -2.0144 2.00000
566 -1.9983 2.00000
567 -1.9678 2.00000
568 -1.9565 2.00000
569 -1.9503 2.00000
570 -1.9416 2.00000
571 -1.9122 2.00000
572 -1.9035 2.00000
573 -1.8794 2.00000
574 -1.8730 2.00000
575 -1.8599 2.00000
576 -1.8379 2.00000
577 -1.8216 2.00000
578 -1.8058 2.00000
579 -1.7950 2.00000
580 -1.7698 2.00000
581 -1.7587 2.00000
582 -1.7498 2.00000
583 -1.7362 2.00000
584 -1.7014 2.00000
585 -1.6876 2.00000
586 -1.6654 2.00000
587 -1.6177 2.00000
588 -1.6016 2.00000
589 -1.4867 2.00000
590 -1.4191 2.00000
591 -1.3905 2.00000
592 -1.3562 2.00000
593 -1.2952 2.00000
594 0.0290 2.00000
595 0.2585 2.00000
596 1.5114 0.00000
597 1.7839 0.00000
598 2.7012 0.00000
599 2.9652 0.00000
600 3.1101 0.00000
601 3.1581 0.00000
602 3.3697 0.00000
603 3.4582 0.00000
604 3.5106 0.00000
605 3.5717 0.00000
606 3.6308 0.00000
607 3.6480 0.00000
608 3.7077 0.00000
609 3.7341 0.00000
610 3.7749 0.00000
611 3.8148 0.00000
612 3.8965 0.00000
613 3.9168 0.00000
614 3.9423 0.00000
615 4.0074 0.00000
616 4.0139 0.00000
617 4.0465 0.00000
618 4.0699 0.00000
619 4.0722 0.00000
620 4.1027 0.00000
621 4.1418 0.00000
622 4.1933 0.00000
623 4.2105 0.00000
624 4.2293 0.00000
625 4.2564 0.00000
626 4.2706 0.00000
627 4.3001 0.00000
628 4.3118 0.00000
629 4.3435 0.00000
630 4.3524 0.00000
631 4.3810 0.00000
632 4.3863 0.00000
633 4.4304 0.00000
634 4.4734 0.00000
635 4.4773 0.00000
636 4.5134 0.00000
637 4.5224 0.00000
638 4.5441 0.00000
639 4.5674 0.00000
640 4.5837 0.00000
641 4.6043 0.00000
642 4.6158 0.00000
643 4.6285 0.00000
644 4.6325 0.00000
645 4.6671 0.00000
646 4.6926 0.00000
647 4.6986 0.00000
648 4.7269 0.00000
649 4.7440 0.00000
650 4.7594 0.00000
651 4.7866 0.00000
652 4.7926 0.00000
653 4.8167 0.00000
654 4.8314 0.00000
655 4.8391 0.00000
656 4.8492 0.00000
657 4.8745 0.00000
658 4.8951 0.00000
659 4.9228 0.00000
660 4.9504 0.00000
661 4.9644 0.00000
662 4.9682 0.00000
663 4.9912 0.00000
664 4.9959 0.00000
665 5.0122 0.00000
666 5.0184 0.00000
667 5.0362 0.00000
668 5.0615 0.00000
669 5.0726 0.00000
670 5.0772 0.00000
671 5.1052 0.00000
672 5.1232 0.00000
673 5.1314 0.00000
674 5.1378 0.00000
675 5.1558 0.00000
676 5.1579 0.00000
677 5.1737 0.00000
678 5.1848 0.00000
679 5.1946 0.00000
680 5.2046 0.00000
681 5.2211 0.00000
682 5.2418 0.00000
683 5.2478 0.00000
684 5.2580 0.00000
685 5.2745 0.00000
686 5.2855 0.00000
687 5.3035 0.00000
688 5.3227 0.00000
689 5.3294 0.00000
690 5.3416 0.00000
691 5.3577 0.00000
692 5.3795 0.00000
693 5.3825 0.00000
694 5.3960 0.00000
695 5.4161 0.00000
696 5.4404 0.00000
697 5.4511 0.00000
698 5.4659 0.00000
699 5.4722 0.00000
700 5.5005 0.00000
701 5.5060 0.00000
702 5.5195 0.00000
703 5.5344 0.00000
704 5.5598 0.00000
705 5.5690 0.00000
706 5.5765 0.00000
707 5.5814 0.00000
708 5.5998 0.00000
709 5.6033 0.00000
710 5.6260 0.00000
711 5.6482 0.00000
712 5.6515 0.00000
713 5.6728 0.00000
714 5.6790 0.00000
715 5.7024 0.00000
716 5.7112 0.00000
717 5.7324 0.00000
718 5.7441 0.00000
719 5.7501 0.00000
720 5.7610 0.00000
721 5.7834 0.00000
722 5.7971 0.00000
723 5.8208 0.00000
724 5.8358 0.00000
725 5.8480 0.00000
726 5.8527 0.00000
727 5.8747 0.00000
728 5.8877 0.00000
729 5.9026 0.00000
730 5.9064 0.00000
731 5.9140 0.00000
732 5.9386 0.00000
733 5.9499 0.00000
734 5.9583 0.00000
735 5.9751 0.00000
736 5.9984 0.00000
737 6.0199 0.00000
738 6.0309 0.00000
739 6.0418 0.00000
740 6.0519 0.00000
741 6.0625 0.00000
742 6.0758 0.00000
743 6.0917 0.00000
744 6.1052 0.00000
745 6.1266 0.00000
746 6.1435 0.00000
747 6.1472 0.00000
748 6.1651 0.00000
749 6.1801 0.00000
750 6.1972 0.00000
751 6.2132 0.00000
752 6.2390 0.00000
753 6.2414 0.00000
754 6.2604 0.00000
755 6.2737 0.00000
756 6.2796 0.00000
757 6.3047 0.00000
758 6.3248 0.00000
759 6.3437 0.00000
760 6.3563 0.00000
761 6.3650 0.00000
762 6.3883 0.00000
763 6.3919 0.00000
764 6.4019 0.00000
765 6.4316 0.00000
766 6.4340 0.00000
767 6.4560 0.00000
768 6.4593 0.00000
769 6.4768 0.00000
770 6.4800 0.00000
771 6.4867 0.00000
772 6.5016 0.00000
773 6.5202 0.00000
774 6.5372 0.00000
775 6.5483 0.00000
776 6.5648 0.00000
777 6.5821 0.00000
778 6.5978 0.00000
779 6.6139 0.00000
780 6.6307 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -21.4177 2.00000
2 -20.9057 2.00000
3 -20.7138 2.00000
4 -20.5611 2.00000
5 -20.5590 2.00000
6 -20.5003 2.00000
7 -20.4862 2.00000
8 -20.4354 2.00000
9 -20.4093 2.00000
10 -20.3730 2.00000
11 -20.3579 2.00000
12 -20.3263 2.00000
13 -20.2113 2.00000
14 -20.2065 2.00000
15 -20.1405 2.00000
16 -20.0572 2.00000
17 -20.0326 2.00000
18 -20.0311 2.00000
19 -20.0029 2.00000
20 -19.9987 2.00000
21 -19.9777 2.00000
22 -19.9725 2.00000
23 -19.9465 2.00000
24 -19.9373 2.00000
25 -19.9318 2.00000
26 -19.8948 2.00000
27 -19.8897 2.00000
28 -19.8563 2.00000
29 -19.8365 2.00000
30 -19.8256 2.00000
31 -19.8022 2.00000
32 -19.7667 2.00000
33 -19.7432 2.00000
34 -19.7366 2.00000
35 -19.7205 2.00000
36 -19.6680 2.00000
37 -19.6265 2.00000
38 -19.6000 2.00000
39 -19.5822 2.00000
40 -19.5664 2.00000
41 -19.5347 2.00000
42 -19.5054 2.00000
43 -19.4957 2.00000
44 -19.4760 2.00000
45 -19.4543 2.00000
46 -19.4369 2.00000
47 -19.4265 2.00000
48 -19.3657 2.00000
49 -19.3454 2.00000
50 -19.3356 2.00000
51 -19.3282 2.00000
52 -19.3198 2.00000
53 -19.3050 2.00000
54 -19.2718 2.00000
55 -19.2693 2.00000
56 -19.2556 2.00000
57 -19.2263 2.00000
58 -19.2229 2.00000
59 -19.1998 2.00000
60 -19.1964 2.00000
61 -19.1730 2.00000
62 -19.1688 2.00000
63 -19.1636 2.00000
64 -19.1484 2.00000
65 -19.1236 2.00000
66 -19.1201 2.00000
67 -19.1093 2.00000
68 -19.1036 2.00000
69 -19.0753 2.00000
70 -19.0451 2.00000
71 -19.0437 2.00000
72 -19.0220 2.00000
73 -19.0018 2.00000
74 -18.9877 2.00000
75 -18.9709 2.00000
76 -18.9683 2.00000
77 -18.9432 2.00000
78 -18.9287 2.00000
79 -18.9255 2.00000
80 -18.9056 2.00000
81 -18.8823 2.00000
82 -18.8331 2.00000
83 -18.7695 2.00000
84 -18.6452 2.00000
85 -18.0889 2.00000
86 -17.8281 2.00000
87 -15.6562 2.00000
88 -13.9967 2.00000
89 -13.3334 2.00000
90 -13.2090 2.00000
91 -13.1400 2.00000
92 -13.0927 2.00000
93 -13.0340 2.00000
94 -12.9985 2.00000
95 -12.9851 2.00000
96 -12.9471 2.00000
97 -12.9256 2.00000
98 -12.9048 2.00000
99 -12.8865 2.00000
100 -12.8620 2.00000
101 -12.8459 2.00000
102 -12.7901 2.00000
103 -12.7561 2.00000
104 -12.7436 2.00000
105 -12.6909 2.00000
106 -12.6737 2.00000
107 -12.5913 2.00000
108 -12.5601 2.00000
109 -12.5416 2.00000
110 -12.5294 2.00000
111 -12.5086 2.00000
112 -12.4685 2.00000
113 -12.4516 2.00000
114 -12.4335 2.00000
115 -12.4233 2.00000
116 -12.3737 2.00000
117 -12.3489 2.00000
118 -12.3222 2.00000
119 -12.2823 2.00000
120 -12.2778 2.00000
121 -12.2623 2.00000
122 -12.2447 2.00000
123 -12.1872 2.00000
124 -12.1846 2.00000
125 -12.1726 2.00000
126 -12.1059 2.00000
127 -12.0799 2.00000
128 -12.0579 2.00000
129 -12.0326 2.00000
130 -12.0242 2.00000
131 -12.0152 2.00000
132 -12.0045 2.00000
133 -11.9903 2.00000
134 -11.9648 2.00000
135 -11.9013 2.00000
136 -11.8648 2.00000
137 -11.8554 2.00000
138 -11.8389 2.00000
139 -11.8302 2.00000
140 -11.8145 2.00000
141 -11.7924 2.00000
142 -11.7515 2.00000
143 -11.7177 2.00000
144 -11.6332 2.00000
145 -11.5712 2.00000
146 -11.5268 2.00000
147 -11.4599 2.00000
148 -10.8605 2.00000
149 -10.7448 2.00000
150 -10.5050 2.00000
151 -10.3453 2.00000
152 -10.3086 2.00000
153 -10.2485 2.00000
154 -10.1736 2.00000
155 -10.0068 2.00000
156 -9.9406 2.00000
157 -9.8897 2.00000
158 -9.8394 2.00000
159 -9.7988 2.00000
160 -9.7577 2.00000
161 -9.7120 2.00000
162 -9.6293 2.00000
163 -9.6026 2.00000
164 -9.5757 2.00000
165 -9.4722 2.00000
166 -9.4438 2.00000
167 -9.3985 2.00000
168 -9.3845 2.00000
169 -9.3489 2.00000
170 -9.2925 2.00000
171 -9.2588 2.00000
172 -9.2475 2.00000
173 -9.1457 2.00000
174 -9.0777 2.00000
175 -9.0176 2.00000
176 -8.9764 2.00000
177 -8.9342 2.00000
178 -8.8969 2.00000
179 -8.8225 2.00000
180 -8.7562 2.00000
181 -8.7123 2.00000
182 -8.6552 2.00000
183 -8.6131 2.00000
184 -8.5672 2.00000
185 -8.4710 2.00000
186 -8.4417 2.00000
187 -8.3992 2.00000
188 -8.3665 2.00000
189 -8.3123 2.00000
190 -8.2729 2.00000
191 -8.2329 2.00000
192 -8.1814 2.00000
193 -8.0788 2.00000
194 -8.0595 2.00000
195 -8.0387 2.00000
196 -8.0001 2.00000
197 -7.9297 2.00000
198 -7.9062 2.00000
199 -7.8735 2.00000
200 -7.8275 2.00000
201 -7.8205 2.00000
202 -7.7918 2.00000
203 -7.7806 2.00000
204 -7.7372 2.00000
205 -7.7128 2.00000
206 -7.6710 2.00000
207 -7.6205 2.00000
208 -7.5556 2.00000
209 -7.5288 2.00000
210 -7.4837 2.00000
211 -7.4098 2.00000
212 -7.3606 2.00000
213 -7.3537 2.00000
214 -7.3351 2.00000
215 -7.2848 2.00000
216 -7.2396 2.00000
217 -7.2331 2.00000
218 -7.2261 2.00000
219 -7.1745 2.00000
220 -7.1663 2.00000
221 -7.1323 2.00000
222 -7.1186 2.00000
223 -7.0636 2.00000
224 -7.0509 2.00000
225 -7.0431 2.00000
226 -7.0108 2.00000
227 -6.9778 2.00000
228 -6.9487 2.00000
229 -6.9110 2.00000
230 -6.8679 2.00000
231 -6.7976 2.00000
232 -6.7273 2.00000
233 -6.7206 2.00000
234 -6.6054 2.00000
235 -6.3282 2.00000
236 -6.2900 2.00000
237 -6.2715 2.00000
238 -6.2636 2.00000
239 -6.2109 2.00000
240 -6.1913 2.00000
241 -6.1670 2.00000
242 -6.1217 2.00000
243 -6.1063 2.00000
244 -6.1012 2.00000
245 -6.0878 2.00000
246 -6.0531 2.00000
247 -6.0463 2.00000
248 -6.0433 2.00000
249 -6.0102 2.00000
250 -5.9850 2.00000
251 -5.9558 2.00000
252 -5.9401 2.00000
253 -5.9096 2.00000
254 -5.8943 2.00000
255 -5.8783 2.00000
256 -5.8723 2.00000
257 -5.8540 2.00000
258 -5.8439 2.00000
259 -5.8353 2.00000
260 -5.8192 2.00000
261 -5.7883 2.00000
262 -5.7760 2.00000
263 -5.7718 2.00000
264 -5.7570 2.00000
265 -5.7499 2.00000
266 -5.7400 2.00000
267 -5.7048 2.00000
268 -5.6844 2.00000
269 -5.6806 2.00000
270 -5.6585 2.00000
271 -5.6410 2.00000
272 -5.6170 2.00000
273 -5.6033 2.00000
274 -5.5907 2.00000
275 -5.5708 2.00000
276 -5.5583 2.00000
277 -5.5479 2.00000
278 -5.5339 2.00000
279 -5.5227 2.00000
280 -5.5136 2.00000
281 -5.5066 2.00000
282 -5.4988 2.00000
283 -5.4824 2.00000
284 -5.4746 2.00000
285 -5.4668 2.00000
286 -5.4385 2.00000
287 -5.4326 2.00000
288 -5.4216 2.00000
289 -5.4083 2.00000
290 -5.4032 2.00000
291 -5.3798 2.00000
292 -5.3712 2.00000
293 -5.3654 2.00000
294 -5.3469 2.00000
295 -5.3326 2.00000
296 -5.3237 2.00000
297 -5.3144 2.00000
298 -5.3000 2.00000
299 -5.2893 2.00000
300 -5.2716 2.00000
301 -5.2599 2.00000
302 -5.2504 2.00000
303 -5.2334 2.00000
304 -5.2137 2.00000
305 -5.1969 2.00000
306 -5.1847 2.00000
307 -5.1700 2.00000
308 -5.1552 2.00000
309 -5.1435 2.00000
310 -5.1321 2.00000
311 -5.1202 2.00000
312 -5.1040 2.00000
313 -5.0924 2.00000
314 -5.0845 2.00000
315 -5.0591 2.00000
316 -5.0545 2.00000
317 -5.0347 2.00000
318 -5.0203 2.00000
319 -5.0024 2.00000
320 -4.9811 2.00000
321 -4.9655 2.00000
322 -4.9505 2.00000
323 -4.9495 2.00000
324 -4.9325 2.00000
325 -4.9124 2.00000
326 -4.8958 2.00000
327 -4.8853 2.00000
328 -4.8726 2.00000
329 -4.8636 2.00000
330 -4.8481 2.00000
331 -4.8430 2.00000
332 -4.8293 2.00000
333 -4.8217 2.00000
334 -4.8149 2.00000
335 -4.8103 2.00000
336 -4.8023 2.00000
337 -4.7890 2.00000
338 -4.7748 2.00000
339 -4.7666 2.00000
340 -4.7603 2.00000
341 -4.7415 2.00000
342 -4.7276 2.00000
343 -4.7061 2.00000
344 -4.6998 2.00000
345 -4.6841 2.00000
346 -4.6792 2.00000
347 -4.6750 2.00000
348 -4.6514 2.00000
349 -4.6397 2.00000
350 -4.6300 2.00000
351 -4.6171 2.00000
352 -4.6074 2.00000
353 -4.5966 2.00000
354 -4.5819 2.00000
355 -4.5689 2.00000
356 -4.5654 2.00000
357 -4.5493 2.00000
358 -4.5373 2.00000
359 -4.5241 2.00000
360 -4.5129 2.00000
361 -4.5074 2.00000
362 -4.4951 2.00000
363 -4.4880 2.00000
364 -4.4692 2.00000
365 -4.4577 2.00000
366 -4.4415 2.00000
367 -4.4204 2.00000
368 -4.3974 2.00000
369 -4.3919 2.00000
370 -4.3787 2.00000
371 -4.3683 2.00000
372 -4.3556 2.00000
373 -4.3528 2.00000
374 -4.3138 2.00000
375 -4.3034 2.00000
376 -4.2988 2.00000
377 -4.2884 2.00000
378 -4.2821 2.00000
379 -4.2680 2.00000
380 -4.2626 2.00000
381 -4.2366 2.00000
382 -4.2251 2.00000
383 -4.2225 2.00000
384 -4.2050 2.00000
385 -4.1915 2.00000
386 -4.1849 2.00000
387 -4.1637 2.00000
388 -4.1536 2.00000
389 -4.1442 2.00000
390 -4.1346 2.00000
391 -4.1318 2.00000
392 -4.1127 2.00000
393 -4.1073 2.00000
394 -4.0841 2.00000
395 -4.0733 2.00000
396 -4.0651 2.00000
397 -4.0609 2.00000
398 -4.0506 2.00000
399 -4.0399 2.00000
400 -4.0155 2.00000
401 -4.0088 2.00000
402 -3.9971 2.00000
403 -3.9891 2.00000
404 -3.9726 2.00000
405 -3.9560 2.00000
406 -3.9516 2.00000
407 -3.9309 2.00000
408 -3.9269 2.00000
409 -3.9047 2.00000
410 -3.9002 2.00000
411 -3.8750 2.00000
412 -3.8586 2.00000
413 -3.8569 2.00000
414 -3.8192 2.00000
415 -3.8158 2.00000
416 -3.7985 2.00000
417 -3.7859 2.00000
418 -3.7750 2.00000
419 -3.7576 2.00000
420 -3.7481 2.00000
421 -3.7341 2.00000
422 -3.7314 2.00000
423 -3.7188 2.00000
424 -3.7079 2.00000
425 -3.6932 2.00000
426 -3.6906 2.00000
427 -3.6800 2.00000
428 -3.6617 2.00000
429 -3.6556 2.00000
430 -3.6504 2.00000
431 -3.6314 2.00000
432 -3.6271 2.00000
433 -3.6219 2.00000
434 -3.5975 2.00000
435 -3.5910 2.00000
436 -3.5768 2.00000
437 -3.5663 2.00000
438 -3.5606 2.00000
439 -3.5523 2.00000
440 -3.5476 2.00000
441 -3.5325 2.00000
442 -3.5126 2.00000
443 -3.4914 2.00000
444 -3.4857 2.00000
445 -3.4797 2.00000
446 -3.4648 2.00000
447 -3.4548 2.00000
448 -3.4394 2.00000
449 -3.4285 2.00000
450 -3.4226 2.00000
451 -3.4139 2.00000
452 -3.3968 2.00000
453 -3.3819 2.00000
454 -3.3723 2.00000
455 -3.3607 2.00000
456 -3.3544 2.00000
457 -3.3409 2.00000
458 -3.3314 2.00000
459 -3.3271 2.00000
460 -3.3050 2.00000
461 -3.2983 2.00000
462 -3.2833 2.00000
463 -3.2681 2.00000
464 -3.2633 2.00000
465 -3.2573 2.00000
466 -3.2391 2.00000
467 -3.2344 2.00000
468 -3.2065 2.00000
469 -3.2018 2.00000
470 -3.1879 2.00000
471 -3.1862 2.00000
472 -3.1703 2.00000
473 -3.1613 2.00000
474 -3.1512 2.00000
475 -3.1340 2.00000
476 -3.1258 2.00000
477 -3.1174 2.00000
478 -3.1101 2.00000
479 -3.1038 2.00000
480 -3.0864 2.00000
481 -3.0819 2.00000
482 -3.0716 2.00000
483 -3.0530 2.00000
484 -3.0444 2.00000
485 -3.0363 2.00000
486 -3.0226 2.00000
487 -3.0095 2.00000
488 -3.0087 2.00000
489 -2.9873 2.00000
490 -2.9830 2.00000
491 -2.9684 2.00000
492 -2.9545 2.00000
493 -2.9501 2.00000
494 -2.9307 2.00000
495 -2.9145 2.00000
496 -2.9084 2.00000
497 -2.9024 2.00000
498 -2.8913 2.00000
499 -2.8726 2.00000
500 -2.8499 2.00000
501 -2.8457 2.00000
502 -2.8324 2.00000
503 -2.8237 2.00000
504 -2.8119 2.00000
505 -2.8028 2.00000
506 -2.7962 2.00000
507 -2.7856 2.00000
508 -2.7732 2.00000
509 -2.7557 2.00000
510 -2.7449 2.00000
511 -2.7406 2.00000
512 -2.7303 2.00000
513 -2.7182 2.00000
514 -2.6981 2.00000
515 -2.6888 2.00000
516 -2.6754 2.00000
517 -2.6700 2.00000
518 -2.6497 2.00000
519 -2.6422 2.00000
520 -2.6358 2.00000
521 -2.6157 2.00000
522 -2.6059 2.00000
523 -2.5881 2.00000
524 -2.5842 2.00000
525 -2.5736 2.00000
526 -2.5640 2.00000
527 -2.5559 2.00000
528 -2.5400 2.00000
529 -2.5212 2.00000
530 -2.5084 2.00000
531 -2.4965 2.00000
532 -2.4856 2.00000
533 -2.4795 2.00000
534 -2.4616 2.00000
535 -2.4384 2.00000
536 -2.4360 2.00000
537 -2.4182 2.00000
538 -2.4134 2.00000
539 -2.3986 2.00000
540 -2.3915 2.00000
541 -2.3722 2.00000
542 -2.3672 2.00000
543 -2.3314 2.00000
544 -2.3110 2.00000
545 -2.3032 2.00000
546 -2.2963 2.00000
547 -2.2869 2.00000
548 -2.2626 2.00000
549 -2.2524 2.00000
550 -2.2392 2.00000
551 -2.2308 2.00000
552 -2.1870 2.00000
553 -2.1764 2.00000
554 -2.1627 2.00000
555 -2.1560 2.00000
556 -2.1330 2.00000
557 -2.1248 2.00000
558 -2.1188 2.00000
559 -2.1089 2.00000
560 -2.0926 2.00000
561 -2.0696 2.00000
562 -2.0509 2.00000
563 -2.0393 2.00000
564 -2.0306 2.00000
565 -2.0169 2.00000
566 -2.0117 2.00000
567 -1.9874 2.00000
568 -1.9748 2.00000
569 -1.9625 2.00000
570 -1.9354 2.00000
571 -1.9205 2.00000
572 -1.9040 2.00000
573 -1.8789 2.00000
574 -1.8675 2.00000
575 -1.8567 2.00000
576 -1.8452 2.00000
577 -1.8153 2.00000
578 -1.7925 2.00000
579 -1.7815 2.00000
580 -1.7734 2.00000
581 -1.7567 2.00000
582 -1.7505 2.00000
583 -1.7410 2.00000
584 -1.6987 2.00000
585 -1.6760 2.00000
586 -1.6724 2.00000
587 -1.6323 2.00000
588 -1.5970 2.00000
589 -1.4869 2.00000
590 -1.4242 2.00000
591 -1.3950 2.00000
592 -1.3492 2.00000
593 -1.2965 2.00000
594 0.0291 2.00000
595 0.2585 2.00000
596 1.5121 0.00000
597 1.7883 0.00000
598 2.7944 0.00000
599 2.9507 0.00000
600 3.0645 0.00000
601 3.2559 0.00000
602 3.2842 0.00000
603 3.3567 0.00000
604 3.4665 0.00000
605 3.5442 0.00000
606 3.5689 0.00000
607 3.6735 0.00000
608 3.6919 0.00000
609 3.7702 0.00000
610 3.8059 0.00000
611 3.8607 0.00000
612 3.8973 0.00000
613 3.9072 0.00000
614 3.9464 0.00000
615 4.0186 0.00000
616 4.0379 0.00000
617 4.0566 0.00000
618 4.0868 0.00000
619 4.1014 0.00000
620 4.1153 0.00000
621 4.1762 0.00000
622 4.1872 0.00000
623 4.2190 0.00000
624 4.2381 0.00000
625 4.2721 0.00000
626 4.2949 0.00000
627 4.3033 0.00000
628 4.3233 0.00000
629 4.3309 0.00000
630 4.3516 0.00000
631 4.3900 0.00000
632 4.4027 0.00000
633 4.4304 0.00000
634 4.4572 0.00000
635 4.4604 0.00000
636 4.4684 0.00000
637 4.5130 0.00000
638 4.5278 0.00000
639 4.5383 0.00000
640 4.5699 0.00000
641 4.5912 0.00000
642 4.6093 0.00000
643 4.6131 0.00000
644 4.6373 0.00000
645 4.6674 0.00000
646 4.6844 0.00000
647 4.7069 0.00000
648 4.7099 0.00000
649 4.7395 0.00000
650 4.7637 0.00000
651 4.7749 0.00000
652 4.7780 0.00000
653 4.8153 0.00000
654 4.8310 0.00000
655 4.8572 0.00000
656 4.8651 0.00000
657 4.8751 0.00000
658 4.8894 0.00000
659 4.9151 0.00000
660 4.9354 0.00000
661 4.9417 0.00000
662 4.9590 0.00000
663 4.9773 0.00000
664 5.0019 0.00000
665 5.0029 0.00000
666 5.0147 0.00000
667 5.0348 0.00000
668 5.0484 0.00000
669 5.0644 0.00000
670 5.0697 0.00000
671 5.0801 0.00000
672 5.1136 0.00000
673 5.1284 0.00000
674 5.1457 0.00000
675 5.1663 0.00000
676 5.1746 0.00000
677 5.1833 0.00000
678 5.1897 0.00000
679 5.2163 0.00000
680 5.2205 0.00000
681 5.2284 0.00000
682 5.2527 0.00000
683 5.2607 0.00000
684 5.2747 0.00000
685 5.2894 0.00000
686 5.2975 0.00000
687 5.3201 0.00000
688 5.3236 0.00000
689 5.3290 0.00000
690 5.3519 0.00000
691 5.3626 0.00000
692 5.3710 0.00000
693 5.3789 0.00000
694 5.4058 0.00000
695 5.4242 0.00000
696 5.4265 0.00000
697 5.4454 0.00000
698 5.4600 0.00000
699 5.4696 0.00000
700 5.4730 0.00000
701 5.4977 0.00000
702 5.5153 0.00000
703 5.5256 0.00000
704 5.5461 0.00000
705 5.5633 0.00000
706 5.5781 0.00000
707 5.5891 0.00000
708 5.6102 0.00000
709 5.6334 0.00000
710 5.6456 0.00000
711 5.6568 0.00000
712 5.6660 0.00000
713 5.6739 0.00000
714 5.6895 0.00000
715 5.7112 0.00000
716 5.7188 0.00000
717 5.7374 0.00000
718 5.7490 0.00000
719 5.7556 0.00000
720 5.7718 0.00000
721 5.7915 0.00000
722 5.7994 0.00000
723 5.8089 0.00000
724 5.8178 0.00000
725 5.8495 0.00000
726 5.8636 0.00000
727 5.8757 0.00000
728 5.8806 0.00000
729 5.9085 0.00000
730 5.9279 0.00000
731 5.9348 0.00000
732 5.9575 0.00000
733 5.9653 0.00000
734 5.9678 0.00000
735 5.9903 0.00000
736 5.9956 0.00000
737 6.0118 0.00000
738 6.0306 0.00000
739 6.0432 0.00000
740 6.0607 0.00000
741 6.0861 0.00000
742 6.0981 0.00000
743 6.1045 0.00000
744 6.1135 0.00000
745 6.1314 0.00000
746 6.1403 0.00000
747 6.1470 0.00000
748 6.1695 0.00000
749 6.1819 0.00000
750 6.1976 0.00000
751 6.2081 0.00000
752 6.2195 0.00000
753 6.2396 0.00000
754 6.2557 0.00000
755 6.2609 0.00000
756 6.2834 0.00000
757 6.2902 0.00000
758 6.3104 0.00000
759 6.3378 0.00000
760 6.3476 0.00000
761 6.3484 0.00000
762 6.3669 0.00000
763 6.3749 0.00000
764 6.3815 0.00000
765 6.4050 0.00000
766 6.4260 0.00000
767 6.4358 0.00000
768 6.4568 0.00000
769 6.4705 0.00000
770 6.4761 0.00000
771 6.4819 0.00000
772 6.4910 0.00000
773 6.5145 0.00000
774 6.5307 0.00000
775 6.5388 0.00000
776 6.5530 0.00000
777 6.5816 0.00000
778 6.6032 0.00000
779 6.6150 0.00000
780 6.6209 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -21.4177 2.00000
2 -20.9057 2.00000
3 -20.7138 2.00000
4 -20.5611 2.00000
5 -20.5590 2.00000
6 -20.5003 2.00000
7 -20.4861 2.00000
8 -20.4354 2.00000
9 -20.4093 2.00000
10 -20.3730 2.00000
11 -20.3579 2.00000
12 -20.3263 2.00000
13 -20.2113 2.00000
14 -20.2065 2.00000
15 -20.1405 2.00000
16 -20.0545 2.00000
17 -20.0372 2.00000
18 -20.0285 2.00000
19 -20.0031 2.00000
20 -19.9990 2.00000
21 -19.9777 2.00000
22 -19.9736 2.00000
23 -19.9473 2.00000
24 -19.9389 2.00000
25 -19.9285 2.00000
26 -19.8945 2.00000
27 -19.8895 2.00000
28 -19.8512 2.00000
29 -19.8364 2.00000
30 -19.8263 2.00000
31 -19.8129 2.00000
32 -19.7589 2.00000
33 -19.7469 2.00000
34 -19.7329 2.00000
35 -19.7211 2.00000
36 -19.6695 2.00000
37 -19.6324 2.00000
38 -19.5994 2.00000
39 -19.5677 2.00000
40 -19.5664 2.00000
41 -19.5343 2.00000
42 -19.5103 2.00000
43 -19.4957 2.00000
44 -19.4794 2.00000
45 -19.4748 2.00000
46 -19.4287 2.00000
47 -19.4069 2.00000
48 -19.3673 2.00000
49 -19.3478 2.00000
50 -19.3425 2.00000
51 -19.3277 2.00000
52 -19.3198 2.00000
53 -19.3050 2.00000
54 -19.2738 2.00000
55 -19.2679 2.00000
56 -19.2468 2.00000
57 -19.2263 2.00000
58 -19.2233 2.00000
59 -19.2102 2.00000
60 -19.1914 2.00000
61 -19.1727 2.00000
62 -19.1713 2.00000
63 -19.1665 2.00000
64 -19.1418 2.00000
65 -19.1231 2.00000
66 -19.1197 2.00000
67 -19.1103 2.00000
68 -19.1041 2.00000
69 -19.0754 2.00000
70 -19.0450 2.00000
71 -19.0438 2.00000
72 -19.0220 2.00000
73 -19.0018 2.00000
74 -18.9878 2.00000
75 -18.9708 2.00000
76 -18.9684 2.00000
77 -18.9429 2.00000
78 -18.9286 2.00000
79 -18.9257 2.00000
80 -18.9056 2.00000
81 -18.8823 2.00000
82 -18.8331 2.00000
83 -18.7695 2.00000
84 -18.6452 2.00000
85 -18.0889 2.00000
86 -17.8280 2.00000
87 -15.6562 2.00000
88 -13.9967 2.00000
89 -13.3336 2.00000
90 -13.2090 2.00000
91 -13.1399 2.00000
92 -13.0927 2.00000
93 -13.0343 2.00000
94 -12.9983 2.00000
95 -12.9858 2.00000
96 -12.9458 2.00000
97 -12.9328 2.00000
98 -12.8982 2.00000
99 -12.8931 2.00000
100 -12.8558 2.00000
101 -12.8390 2.00000
102 -12.7904 2.00000
103 -12.7622 2.00000
104 -12.7447 2.00000
105 -12.6910 2.00000
106 -12.6686 2.00000
107 -12.5922 2.00000
108 -12.5677 2.00000
109 -12.5417 2.00000
110 -12.5277 2.00000
111 -12.5091 2.00000
112 -12.4688 2.00000
113 -12.4494 2.00000
114 -12.4359 2.00000
115 -12.4248 2.00000
116 -12.3685 2.00000
117 -12.3448 2.00000
118 -12.3226 2.00000
119 -12.2810 2.00000
120 -12.2787 2.00000
121 -12.2611 2.00000
122 -12.2432 2.00000
123 -12.1955 2.00000
124 -12.1824 2.00000
125 -12.1716 2.00000
126 -12.1082 2.00000
127 -12.0814 2.00000
128 -12.0569 2.00000
129 -12.0325 2.00000
130 -12.0206 2.00000
131 -12.0155 2.00000
132 -12.0049 2.00000
133 -11.9954 2.00000
134 -11.9634 2.00000
135 -11.9014 2.00000
136 -11.8658 2.00000
137 -11.8558 2.00000
138 -11.8393 2.00000
139 -11.8301 2.00000
140 -11.8139 2.00000
141 -11.7920 2.00000
142 -11.7518 2.00000
143 -11.7060 2.00000
144 -11.6451 2.00000
145 -11.5690 2.00000
146 -11.5266 2.00000
147 -11.4600 2.00000
148 -10.8557 2.00000
149 -10.7427 2.00000
150 -10.5194 2.00000
151 -10.3577 2.00000
152 -10.2981 2.00000
153 -10.2537 2.00000
154 -10.1588 2.00000
155 -10.0202 2.00000
156 -9.9340 2.00000
157 -9.8714 2.00000
158 -9.8430 2.00000
159 -9.7905 2.00000
160 -9.7302 2.00000
161 -9.6902 2.00000
162 -9.6778 2.00000
163 -9.5950 2.00000
164 -9.5436 2.00000
165 -9.5137 2.00000
166 -9.4782 2.00000
167 -9.4502 2.00000
168 -9.3709 2.00000
169 -9.3239 2.00000
170 -9.2918 2.00000
171 -9.2538 2.00000
172 -9.1846 2.00000
173 -9.1722 2.00000
174 -9.1261 2.00000
175 -8.9734 2.00000
176 -8.9510 2.00000
177 -8.9380 2.00000
178 -8.8776 2.00000
179 -8.8404 2.00000
180 -8.7794 2.00000
181 -8.7562 2.00000
182 -8.6484 2.00000
183 -8.5629 2.00000
184 -8.5523 2.00000
185 -8.4980 2.00000
186 -8.4607 2.00000
187 -8.4156 2.00000
188 -8.3512 2.00000
189 -8.3057 2.00000
190 -8.2738 2.00000
191 -8.2369 2.00000
192 -8.1398 2.00000
193 -8.0910 2.00000
194 -8.0737 2.00000
195 -8.0643 2.00000
196 -7.9781 2.00000
197 -7.9458 2.00000
198 -7.9009 2.00000
199 -7.8542 2.00000
200 -7.8540 2.00000
201 -7.8060 2.00000
202 -7.7927 2.00000
203 -7.7617 2.00000
204 -7.7366 2.00000
205 -7.7059 2.00000
206 -7.6599 2.00000
207 -7.6225 2.00000
208 -7.5973 2.00000
209 -7.5267 2.00000
210 -7.4756 2.00000
211 -7.4158 2.00000
212 -7.3596 2.00000
213 -7.3474 2.00000
214 -7.3349 2.00000
215 -7.2757 2.00000
216 -7.2533 2.00000
217 -7.2320 2.00000
218 -7.2104 2.00000
219 -7.1962 2.00000
220 -7.1465 2.00000
221 -7.1448 2.00000
222 -7.1177 2.00000
223 -7.0626 2.00000
224 -7.0521 2.00000
225 -7.0441 2.00000
226 -7.0108 2.00000
227 -6.9805 2.00000
228 -6.9488 2.00000
229 -6.9074 2.00000
230 -6.8671 2.00000
231 -6.7978 2.00000
232 -6.7269 2.00000
233 -6.7204 2.00000
234 -6.6054 2.00000
235 -6.3250 2.00000
236 -6.2918 2.00000
237 -6.2686 2.00000
238 -6.2604 2.00000
239 -6.2101 2.00000
240 -6.2001 2.00000
241 -6.1636 2.00000
242 -6.1127 2.00000
243 -6.1100 2.00000
244 -6.1016 2.00000
245 -6.0901 2.00000
246 -6.0620 2.00000
247 -6.0496 2.00000
248 -6.0395 2.00000
249 -6.0096 2.00000
250 -5.9804 2.00000
251 -5.9609 2.00000
252 -5.9367 2.00000
253 -5.9079 2.00000
254 -5.9058 2.00000
255 -5.8771 2.00000
256 -5.8706 2.00000
257 -5.8547 2.00000
258 -5.8320 2.00000
259 -5.8128 2.00000
260 -5.8109 2.00000
261 -5.7958 2.00000
262 -5.7826 2.00000
263 -5.7761 2.00000
264 -5.7580 2.00000
265 -5.7522 2.00000
266 -5.7425 2.00000
267 -5.7001 2.00000
268 -5.6976 2.00000
269 -5.6847 2.00000
270 -5.6572 2.00000
271 -5.6411 2.00000
272 -5.6195 2.00000
273 -5.6085 2.00000
274 -5.5884 2.00000
275 -5.5758 2.00000
276 -5.5601 2.00000
277 -5.5422 2.00000
278 -5.5308 2.00000
279 -5.5220 2.00000
280 -5.5140 2.00000
281 -5.5091 2.00000
282 -5.4944 2.00000
283 -5.4861 2.00000
284 -5.4730 2.00000
285 -5.4644 2.00000
286 -5.4558 2.00000
287 -5.4468 2.00000
288 -5.4255 2.00000
289 -5.3993 2.00000
290 -5.3958 2.00000
291 -5.3858 2.00000
292 -5.3698 2.00000
293 -5.3558 2.00000
294 -5.3410 2.00000
295 -5.3288 2.00000
296 -5.3172 2.00000
297 -5.3082 2.00000
298 -5.2955 2.00000
299 -5.2911 2.00000
300 -5.2724 2.00000
301 -5.2573 2.00000
302 -5.2503 2.00000
303 -5.2275 2.00000
304 -5.2127 2.00000
305 -5.2033 2.00000
306 -5.1997 2.00000
307 -5.1735 2.00000
308 -5.1465 2.00000
309 -5.1382 2.00000
310 -5.1309 2.00000
311 -5.1196 2.00000
312 -5.1173 2.00000
313 -5.0976 2.00000
314 -5.0852 2.00000
315 -5.0595 2.00000
316 -5.0482 2.00000
317 -5.0343 2.00000
318 -5.0132 2.00000
319 -5.0005 2.00000
320 -4.9950 2.00000
321 -4.9631 2.00000
322 -4.9424 2.00000
323 -4.9383 2.00000
324 -4.9226 2.00000
325 -4.9137 2.00000
326 -4.9033 2.00000
327 -4.8960 2.00000
328 -4.8706 2.00000
329 -4.8571 2.00000
330 -4.8523 2.00000
331 -4.8409 2.00000
332 -4.8376 2.00000
333 -4.8267 2.00000
334 -4.8170 2.00000
335 -4.8026 2.00000
336 -4.8009 2.00000
337 -4.7875 2.00000
338 -4.7829 2.00000
339 -4.7781 2.00000
340 -4.7576 2.00000
341 -4.7553 2.00000
342 -4.7189 2.00000
343 -4.7088 2.00000
344 -4.6947 2.00000
345 -4.6843 2.00000
346 -4.6750 2.00000
347 -4.6646 2.00000
348 -4.6581 2.00000
349 -4.6420 2.00000
350 -4.6270 2.00000
351 -4.6173 2.00000
352 -4.6095 2.00000
353 -4.5896 2.00000
354 -4.5838 2.00000
355 -4.5688 2.00000
356 -4.5585 2.00000
357 -4.5391 2.00000
358 -4.5343 2.00000
359 -4.5218 2.00000
360 -4.5145 2.00000
361 -4.5084 2.00000
362 -4.4994 2.00000
363 -4.4854 2.00000
364 -4.4630 2.00000
365 -4.4470 2.00000
366 -4.4356 2.00000
367 -4.4203 2.00000
368 -4.4181 2.00000
369 -4.3963 2.00000
370 -4.3791 2.00000
371 -4.3604 2.00000
372 -4.3444 2.00000
373 -4.3382 2.00000
374 -4.3279 2.00000
375 -4.3268 2.00000
376 -4.3019 2.00000
377 -4.2959 2.00000
378 -4.2864 2.00000
379 -4.2624 2.00000
380 -4.2546 2.00000
381 -4.2424 2.00000
382 -4.2282 2.00000
383 -4.2199 2.00000
384 -4.2046 2.00000
385 -4.2000 2.00000
386 -4.1824 2.00000
387 -4.1751 2.00000
388 -4.1507 2.00000
389 -4.1402 2.00000
390 -4.1374 2.00000
391 -4.1258 2.00000
392 -4.1204 2.00000
393 -4.1113 2.00000
394 -4.0911 2.00000
395 -4.0850 2.00000
396 -4.0687 2.00000
397 -4.0510 2.00000
398 -4.0404 2.00000
399 -4.0333 2.00000
400 -4.0242 2.00000
401 -4.0054 2.00000
402 -3.9912 2.00000
403 -3.9854 2.00000
404 -3.9759 2.00000
405 -3.9470 2.00000
406 -3.9401 2.00000
407 -3.9272 2.00000
408 -3.9114 2.00000
409 -3.9047 2.00000
410 -3.8846 2.00000
411 -3.8752 2.00000
412 -3.8647 2.00000
413 -3.8590 2.00000
414 -3.8301 2.00000
415 -3.8214 2.00000
416 -3.8022 2.00000
417 -3.7946 2.00000
418 -3.7769 2.00000
419 -3.7706 2.00000
420 -3.7580 2.00000
421 -3.7392 2.00000
422 -3.7326 2.00000
423 -3.7138 2.00000
424 -3.7085 2.00000
425 -3.7016 2.00000
426 -3.6830 2.00000
427 -3.6739 2.00000
428 -3.6644 2.00000
429 -3.6563 2.00000
430 -3.6497 2.00000
431 -3.6229 2.00000
432 -3.6212 2.00000
433 -3.6069 2.00000
434 -3.5994 2.00000
435 -3.5957 2.00000
436 -3.5769 2.00000
437 -3.5694 2.00000
438 -3.5569 2.00000
439 -3.5533 2.00000
440 -3.5309 2.00000
441 -3.5255 2.00000
442 -3.5158 2.00000
443 -3.5121 2.00000
444 -3.4840 2.00000
445 -3.4778 2.00000
446 -3.4645 2.00000
447 -3.4596 2.00000
448 -3.4446 2.00000
449 -3.4403 2.00000
450 -3.4263 2.00000
451 -3.4016 2.00000
452 -3.3943 2.00000
453 -3.3913 2.00000
454 -3.3878 2.00000
455 -3.3698 2.00000
456 -3.3518 2.00000
457 -3.3334 2.00000
458 -3.3288 2.00000
459 -3.3187 2.00000
460 -3.3074 2.00000
461 -3.2917 2.00000
462 -3.2811 2.00000
463 -3.2739 2.00000
464 -3.2683 2.00000
465 -3.2466 2.00000
466 -3.2405 2.00000
467 -3.2231 2.00000
468 -3.2080 2.00000
469 -3.1981 2.00000
470 -3.1898 2.00000
471 -3.1814 2.00000
472 -3.1684 2.00000
473 -3.1524 2.00000
474 -3.1450 2.00000
475 -3.1402 2.00000
476 -3.1392 2.00000
477 -3.1293 2.00000
478 -3.1151 2.00000
479 -3.1077 2.00000
480 -3.0868 2.00000
481 -3.0753 2.00000
482 -3.0685 2.00000
483 -3.0515 2.00000
484 -3.0503 2.00000
485 -3.0353 2.00000
486 -3.0231 2.00000
487 -3.0111 2.00000
488 -2.9982 2.00000
489 -2.9936 2.00000
490 -2.9769 2.00000
491 -2.9642 2.00000
492 -2.9526 2.00000
493 -2.9488 2.00000
494 -2.9319 2.00000
495 -2.9208 2.00000
496 -2.9059 2.00000
497 -2.8932 2.00000
498 -2.8797 2.00000
499 -2.8567 2.00000
500 -2.8491 2.00000
501 -2.8476 2.00000
502 -2.8386 2.00000
503 -2.8251 2.00000
504 -2.8197 2.00000
505 -2.8003 2.00000
506 -2.7996 2.00000
507 -2.7851 2.00000
508 -2.7758 2.00000
509 -2.7682 2.00000
510 -2.7524 2.00000
511 -2.7414 2.00000
512 -2.7303 2.00000
513 -2.7280 2.00000
514 -2.7037 2.00000
515 -2.6940 2.00000
516 -2.6790 2.00000
517 -2.6596 2.00000
518 -2.6470 2.00000
519 -2.6386 2.00000
520 -2.6295 2.00000
521 -2.6190 2.00000
522 -2.6075 2.00000
523 -2.5824 2.00000
524 -2.5799 2.00000
525 -2.5770 2.00000
526 -2.5659 2.00000
527 -2.5411 2.00000
528 -2.5387 2.00000
529 -2.5271 2.00000
530 -2.5205 2.00000
531 -2.5040 2.00000
532 -2.4794 2.00000
533 -2.4626 2.00000
534 -2.4603 2.00000
535 -2.4452 2.00000
536 -2.4381 2.00000
537 -2.4170 2.00000
538 -2.4105 2.00000
539 -2.3987 2.00000
540 -2.3847 2.00000
541 -2.3797 2.00000
542 -2.3567 2.00000
543 -2.3505 2.00000
544 -2.3150 2.00000
545 -2.2996 2.00000
546 -2.2900 2.00000
547 -2.2706 2.00000
548 -2.2485 2.00000
549 -2.2289 2.00000
550 -2.2188 2.00000
551 -2.2166 2.00000
552 -2.2131 2.00000
553 -2.2053 2.00000
554 -2.1730 2.00000
555 -2.1583 2.00000
556 -2.1344 2.00000
557 -2.1288 2.00000
558 -2.1231 2.00000
559 -2.1044 2.00000
560 -2.0908 2.00000
561 -2.0661 2.00000
562 -2.0558 2.00000
563 -2.0479 2.00000
564 -2.0397 2.00000
565 -2.0163 2.00000
566 -2.0002 2.00000
567 -1.9913 2.00000
568 -1.9675 2.00000
569 -1.9659 2.00000
570 -1.9292 2.00000
571 -1.9089 2.00000
572 -1.9061 2.00000
573 -1.8898 2.00000
574 -1.8684 2.00000
575 -1.8545 2.00000
576 -1.8305 2.00000
577 -1.8243 2.00000
578 -1.8125 2.00000
579 -1.7795 2.00000
580 -1.7725 2.00000
581 -1.7599 2.00000
582 -1.7554 2.00000
583 -1.7335 2.00000
584 -1.7023 2.00000
585 -1.6771 2.00000
586 -1.6719 2.00000
587 -1.6314 2.00000
588 -1.5961 2.00000
589 -1.4872 2.00000
590 -1.4231 2.00000
591 -1.3947 2.00000
592 -1.3484 2.00000
593 -1.2964 2.00000
594 0.0291 2.00000
595 0.2585 2.00000
596 1.5127 0.00000
597 1.7882 0.00000
598 2.7989 0.00000
599 2.9486 0.00000
600 3.1262 0.00000
601 3.1970 0.00000
602 3.3163 0.00000
603 3.3389 0.00000
604 3.4061 0.00000
605 3.5039 0.00000
606 3.5712 0.00000
607 3.6827 0.00000
608 3.7324 0.00000
609 3.7818 0.00000
610 3.8324 0.00000
611 3.8432 0.00000
612 3.8822 0.00000
613 3.9142 0.00000
614 3.9434 0.00000
615 4.0147 0.00000
616 4.0408 0.00000
617 4.0689 0.00000
618 4.1095 0.00000
619 4.1250 0.00000
620 4.1392 0.00000
621 4.1546 0.00000
622 4.1745 0.00000
623 4.2044 0.00000
624 4.2195 0.00000
625 4.2557 0.00000
626 4.2903 0.00000
627 4.2996 0.00000
628 4.3138 0.00000
629 4.3178 0.00000
630 4.3650 0.00000
631 4.3931 0.00000
632 4.4030 0.00000
633 4.4432 0.00000
634 4.4651 0.00000
635 4.4824 0.00000
636 4.4941 0.00000
637 4.5084 0.00000
638 4.5413 0.00000
639 4.5583 0.00000
640 4.5822 0.00000
641 4.6021 0.00000
642 4.6152 0.00000
643 4.6334 0.00000
644 4.6477 0.00000
645 4.6741 0.00000
646 4.6790 0.00000
647 4.7028 0.00000
648 4.7207 0.00000
649 4.7290 0.00000
650 4.7515 0.00000
651 4.7785 0.00000
652 4.7824 0.00000
653 4.7894 0.00000
654 4.7937 0.00000
655 4.8494 0.00000
656 4.8566 0.00000
657 4.8668 0.00000
658 4.8857 0.00000
659 4.9124 0.00000
660 4.9327 0.00000
661 4.9393 0.00000
662 4.9577 0.00000
663 4.9717 0.00000
664 4.9889 0.00000
665 4.9991 0.00000
666 5.0187 0.00000
667 5.0268 0.00000
668 5.0547 0.00000
669 5.0604 0.00000
670 5.0769 0.00000
671 5.0833 0.00000
672 5.0968 0.00000
673 5.1140 0.00000
674 5.1528 0.00000
675 5.1645 0.00000
676 5.1752 0.00000
677 5.1771 0.00000
678 5.1987 0.00000
679 5.2178 0.00000
680 5.2272 0.00000
681 5.2319 0.00000
682 5.2448 0.00000
683 5.2512 0.00000
684 5.2623 0.00000
685 5.2887 0.00000
686 5.3046 0.00000
687 5.3130 0.00000
688 5.3220 0.00000
689 5.3379 0.00000
690 5.3499 0.00000
691 5.3656 0.00000
692 5.3783 0.00000
693 5.3921 0.00000
694 5.4121 0.00000
695 5.4222 0.00000
696 5.4290 0.00000
697 5.4524 0.00000
698 5.4601 0.00000
699 5.4691 0.00000
700 5.4859 0.00000
701 5.4961 0.00000
702 5.5240 0.00000
703 5.5319 0.00000
704 5.5508 0.00000
705 5.5630 0.00000
706 5.5702 0.00000
707 5.5967 0.00000
708 5.6108 0.00000
709 5.6158 0.00000
710 5.6248 0.00000
711 5.6437 0.00000
712 5.6484 0.00000
713 5.6774 0.00000
714 5.6894 0.00000
715 5.7032 0.00000
716 5.7145 0.00000
717 5.7298 0.00000
718 5.7388 0.00000
719 5.7664 0.00000
720 5.7759 0.00000
721 5.7942 0.00000
722 5.8107 0.00000
723 5.8258 0.00000
724 5.8389 0.00000
725 5.8542 0.00000
726 5.8691 0.00000
727 5.8706 0.00000
728 5.8894 0.00000
729 5.9013 0.00000
730 5.9217 0.00000
731 5.9314 0.00000
732 5.9423 0.00000
733 5.9509 0.00000
734 5.9620 0.00000
735 5.9893 0.00000
736 5.9932 0.00000
737 6.0207 0.00000
738 6.0329 0.00000
739 6.0473 0.00000
740 6.0523 0.00000
741 6.0659 0.00000
742 6.0724 0.00000
743 6.0891 0.00000
744 6.0958 0.00000
745 6.1173 0.00000
746 6.1513 0.00000
747 6.1704 0.00000
748 6.1814 0.00000
749 6.1851 0.00000
750 6.2036 0.00000
751 6.2253 0.00000
752 6.2428 0.00000
753 6.2510 0.00000
754 6.2615 0.00000
755 6.2685 0.00000
756 6.2920 0.00000
757 6.3086 0.00000
758 6.3217 0.00000
759 6.3263 0.00000
760 6.3396 0.00000
761 6.3410 0.00000
762 6.3544 0.00000
763 6.3749 0.00000
764 6.3811 0.00000
765 6.3996 0.00000
766 6.4189 0.00000
767 6.4258 0.00000
768 6.4553 0.00000
769 6.4780 0.00000
770 6.4822 0.00000
771 6.4857 0.00000
772 6.4901 0.00000
773 6.5159 0.00000
774 6.5245 0.00000
775 6.5428 0.00000
776 6.5532 0.00000
777 6.5956 0.00000
778 6.6115 0.00000
779 6.6335 0.00000
780 6.6579 0.00000
--------------------------------------------------------------------------------------------------------
soft charge-density along one line, spin component 1
0 1 2 3 4 5 6 7 8 9
total charge-density along one line
pseudopotential strength for first ion, spin component: 1
19.102 26.655 0.005 0.008 0.002 0.010 0.014 0.003
26.655 37.200 0.007 0.011 0.002 0.014 0.020 0.004
0.005 0.007 4.266 0.002 -0.000 7.955 0.004 -0.001
0.008 0.011 0.002 4.264 -0.000 0.004 7.951 -0.000
0.002 0.002 -0.000 -0.000 4.264 -0.001 -0.000 7.951
0.010 0.014 7.955 0.004 -0.001 14.845 0.008 -0.001
0.014 0.020 0.004 7.951 -0.000 0.008 14.838 -0.001
0.003 0.004 -0.001 -0.000 7.951 -0.001 -0.001 14.838
total augmentation occupancy for first ion, spin component: 1
7.100 -3.177 1.280 0.713 -0.156 -0.513 -0.294 0.057
-3.177 1.596 -0.914 -0.555 0.087 0.333 0.206 -0.029
1.280 -0.914 3.845 0.589 0.218 -1.136 -0.286 -0.063
0.713 -0.555 0.589 3.832 0.133 -0.285 -1.085 -0.037
-0.156 0.087 0.218 0.133 3.086 -0.062 -0.037 -0.756
-0.513 0.333 -1.136 -0.285 -0.062 0.353 0.117 0.019
-0.294 0.206 -0.286 -1.085 -0.037 0.117 0.324 0.011
0.057 -0.029 -0.063 -0.037 -0.756 0.019 0.011 0.197
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 932.13330 932.13330 932.13330
Ewald -7700.36966 -8170.46823 -4260.42100 -677.79912 -174.57981 463.43626
Hartree 10294.51664 10207.72183 12982.72072 -408.00511 -56.83069 184.19901
E(xc) -4889.92380 -4893.44094 -4889.37344 -0.51998 -0.73257 0.27425
Local -17337.73772-16854.30723-23458.55580 1074.43460 199.94284 -613.74030
n-local -541.38223 -531.96163 -513.71851 -7.47031 0.50378 5.51498
augment 244.72632 247.54387 242.16859 1.36233 1.53260 -1.90001
Kinetic 18682.58052 18830.66813 18630.91052 35.81572 43.61688 -25.93209
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -315.4566217 -232.1109025 -334.1356261 17.8181258 13.4530375 11.8521042
in kB -94.3052964 -69.3892154 -99.8893575 5.3267027 4.0217659 3.5431692
external PRESSURE = -87.8612898 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5359.38
direct lattice vectors reciprocal lattice vectors
17.500000000 0.000000000 0.000000000 0.057142857 0.000000000 0.000000000
0.000000000 17.500000000 0.000000000 0.000000000 0.057142857 0.000000000
0.000000000 0.000000000 17.500000000 0.000000000 0.000000000 0.057142857
length of vectors
17.500000000 17.500000000 17.500000000 0.057142857 0.057142857 0.057142857
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.382E+02 0.821E+02 0.144E+02 0.376E+02 -.832E+02 -.169E+02 0.688E+00 0.108E+01 0.242E+01 0.555E-03 -.747E-04 -.173E-03
-.319E+02 0.641E+02 0.661E+02 0.302E+02 -.710E+02 -.704E+02 0.173E+01 0.696E+01 0.435E+01 0.536E-03 0.480E-03 -.581E-03
0.187E+02 0.141E+02 -.296E+02 -.219E+02 -.153E+02 0.309E+02 0.320E+01 0.118E+01 -.133E+01 0.431E-03 -.726E-04 -.104E-03
-.274E+02 0.290E+02 -.333E+02 0.275E+02 -.296E+02 0.385E+02 -.871E-01 0.664E+00 -.522E+01 0.336E-03 -.318E-03 -.390E-04
0.344E+02 0.460E+02 0.693E+02 -.366E+02 -.412E+02 -.730E+02 0.223E+01 -.481E+01 0.371E+01 0.422E-03 0.574E-03 -.370E-03
-.726E+02 0.192E+02 -.999E+02 0.769E+02 -.191E+02 0.104E+03 -.435E+01 -.126E+00 -.424E+01 -.129E-04 0.128E-03 0.105E-02
-.105E+02 -.209E+01 -.299E+02 0.117E+02 -.867E+00 0.280E+02 -.117E+01 0.294E+01 0.193E+01 0.314E-03 0.186E-03 0.362E-04
-.847E+02 -.246E+02 -.115E+02 0.857E+02 0.271E+02 0.165E+02 -.906E+00 -.254E+01 -.501E+01 0.186E-03 0.155E-04 0.227E-03
-.251E+02 -.318E+02 -.520E+01 0.293E+02 0.389E+02 0.644E+01 -.413E+01 -.717E+01 -.124E+01 0.114E-03 -.626E-03 0.213E-03
-.770E+02 0.316E+02 0.199E+02 0.795E+02 -.358E+02 -.214E+02 -.255E+01 0.420E+01 0.157E+01 0.488E-03 -.624E-03 0.346E-03
-.779E+02 -.116E+02 0.709E+02 0.746E+02 0.159E+02 -.727E+02 0.328E+01 -.426E+01 0.172E+01 -.251E-03 -.130E-03 0.171E-03
-.404E+02 0.126E+02 0.764E+02 0.394E+02 -.121E+02 -.804E+02 0.106E+01 -.564E+00 0.404E+01 -.673E-03 -.946E-04 0.715E-03
0.706E+00 -.180E+02 -.236E+02 0.913E+00 0.180E+02 0.214E+02 -.162E+01 -.640E-01 0.213E+01 0.373E-03 -.707E-04 -.373E-03
0.493E+01 0.541E+01 0.538E+02 -.651E+01 -.764E-01 -.558E+02 0.159E+01 -.533E+01 0.205E+01 -.581E-03 -.895E-03 0.693E-04
-.626E+01 0.106E+02 -.626E+01 0.522E+01 -.763E+01 0.737E+01 0.104E+01 -.302E+01 -.110E+01 0.458E-03 0.181E-03 -.426E-04
-.560E+02 -.593E+02 -.264E+02 0.574E+02 0.659E+02 0.186E+02 -.135E+01 -.655E+01 0.779E+01 -.178E-03 0.113E-03 -.673E-03
-.437E+02 0.355E+02 -.346E+02 0.408E+02 -.455E+02 0.389E+02 0.288E+01 0.100E+02 -.438E+01 -.205E-03 0.707E-03 0.173E-03
-.404E+02 -.575E+02 -.312E+02 0.400E+02 0.562E+02 0.267E+02 0.392E+00 0.126E+01 0.450E+01 0.603E-04 0.919E-04 0.589E-04
-.122E+01 -.554E+02 0.243E+02 0.570E+01 0.594E+02 -.241E+02 -.448E+01 -.399E+01 -.222E+00 0.593E-03 0.302E-03 -.409E-03
-.187E+01 -.187E+00 0.336E+02 0.304E+01 -.568E+01 -.384E+02 -.117E+01 0.586E+01 0.480E+01 -.197E-03 0.613E-03 0.732E-04
0.205E+02 -.959E+02 0.363E+02 -.229E+02 0.982E+02 -.320E+02 0.239E+01 -.233E+01 -.434E+01 0.517E-03 -.529E-03 0.302E-03
-.290E+02 -.324E+02 0.144E+00 0.327E+02 0.384E+02 -.222E+01 -.367E+01 -.601E+01 0.209E+01 -.923E-03 0.738E-03 -.717E-03
-.236E+01 0.619E+01 0.632E+02 0.405E+01 -.150E+01 -.695E+02 -.169E+01 -.469E+01 0.624E+01 0.474E-03 -.407E-03 0.462E-03
-.111E+03 0.300E+02 -.130E+02 0.112E+03 -.308E+02 0.130E+02 -.174E+01 0.853E+00 -.764E-01 -.769E-04 -.663E-04 0.283E-03
0.822E+02 0.318E+02 0.366E+02 -.829E+02 -.348E+02 -.372E+02 0.659E+00 0.299E+01 0.557E+00 -.711E-04 0.220E-03 0.590E-03
0.682E+02 0.395E+02 0.313E+02 -.710E+02 -.397E+02 -.362E+02 0.281E+01 0.192E+00 0.495E+01 -.740E-03 0.980E-03 -.771E-03
-.540E+02 0.710E+02 -.165E+02 0.561E+02 -.727E+02 0.129E+02 -.211E+01 0.179E+01 0.358E+01 0.529E-03 -.128E-02 0.115E-03
0.460E+02 -.182E+02 -.524E+01 -.484E+02 0.190E+02 0.992E+01 0.237E+01 -.805E+00 -.468E+01 -.376E-03 -.761E-04 0.988E-04
-.306E+02 0.917E+02 0.366E+02 0.330E+02 -.951E+02 -.362E+02 -.243E+01 0.339E+01 -.465E+00 0.309E-03 0.683E-03 -.363E-03
0.648E+02 0.278E+02 -.580E+02 -.692E+02 -.257E+02 0.623E+02 0.440E+01 -.208E+01 -.430E+01 -.432E-03 0.622E-03 0.110E-02
0.396E+02 -.105E+02 -.695E+02 -.444E+02 0.954E+01 0.689E+02 0.480E+01 0.101E+01 0.547E+00 -.514E-04 0.143E-03 -.985E-03
0.250E+02 -.909E+01 0.241E+02 -.191E+02 0.999E+01 -.270E+02 -.584E+01 -.886E+00 0.292E+01 0.167E-03 -.423E-03 -.241E-03
-.584E+02 0.570E+01 0.393E+02 0.637E+02 -.399E+01 -.431E+02 -.522E+01 -.171E+01 0.382E+01 -.429E-03 -.171E-02 0.556E-03
0.563E+02 -.344E+02 0.670E+02 -.551E+02 0.349E+02 -.670E+02 -.123E+01 -.518E+00 -.281E-01 -.811E-04 -.208E-03 0.103E-03
0.504E+02 -.422E+02 -.561E+02 -.463E+02 0.408E+02 0.584E+02 -.414E+01 0.137E+01 -.227E+01 -.695E-03 -.701E-03 0.284E-03
-.284E+02 -.147E+02 0.452E+02 0.275E+02 0.144E+02 -.508E+02 0.910E+00 0.221E+00 0.562E+01 0.631E-03 -.269E-03 -.683E-03
-.130E+02 -.220E+02 0.353E+02 0.198E+02 0.211E+02 -.373E+02 -.680E+01 0.915E+00 0.201E+01 0.525E-03 -.110E-02 -.587E-03
-.713E+02 -.533E+02 0.658E+01 0.794E+02 0.543E+02 -.278E+01 -.810E+01 -.948E+00 -.379E+01 -.288E-04 -.145E-03 -.111E-02
0.649E+02 -.379E+02 0.788E+02 -.706E+02 0.405E+02 -.830E+02 0.575E+01 -.265E+01 0.426E+01 0.767E-03 -.117E-03 -.489E-03
-.150E+02 -.239E+02 0.583E+02 0.187E+02 0.274E+02 -.530E+02 -.368E+01 -.357E+01 -.528E+01 -.123E-02 0.615E-03 0.223E-03
0.655E+02 -.387E+02 0.190E+01 -.614E+02 0.387E+02 -.750E+01 -.405E+01 0.477E-01 0.559E+01 0.346E-03 -.559E-03 0.337E-04
-.368E+02 -.128E+02 -.109E+02 0.346E+02 0.111E+02 0.111E+02 0.222E+01 0.167E+01 -.157E+00 0.864E-04 0.348E-03 0.339E-03
-.390E+02 -.462E+02 -.799E+01 0.353E+02 0.514E+02 0.180E+02 0.374E+01 -.526E+01 -.999E+01 0.163E-03 -.419E-03 0.403E-03
0.491E+02 -.181E+02 -.313E+02 -.463E+02 0.333E+02 0.171E+02 -.276E+01 -.152E+02 0.142E+02 0.947E-03 0.200E-03 -.259E-03
0.295E+01 0.347E+02 -.252E+02 -.243E+01 -.388E+02 0.225E+02 -.511E+00 0.415E+01 0.268E+01 -.430E-03 0.383E-03 -.299E-03
0.902E+02 0.989E+02 0.674E+01 -.914E+02 -.965E+02 -.613E+01 0.121E+01 -.246E+01 -.612E+00 -.123E-02 0.115E-02 0.506E-03
0.139E+02 0.482E+02 -.690E+02 -.127E+02 -.495E+02 0.738E+02 -.117E+01 0.131E+01 -.472E+01 -.562E-03 0.486E-03 0.475E-03
-.484E+02 0.948E+02 0.558E+01 0.527E+02 -.943E+02 -.732E+01 -.435E+01 -.459E+00 0.173E+01 -.221E-04 0.678E-03 -.347E-03
-.166E+02 -.194E+02 0.182E+02 0.210E+02 0.183E+02 -.206E+02 -.440E+01 0.108E+01 0.241E+01 -.848E-03 -.411E-03 0.305E-03
0.199E+02 0.860E+01 0.101E+03 -.203E+02 -.907E+01 -.103E+03 0.420E+00 0.468E+00 0.250E+01 -.363E-04 0.669E-03 -.302E-03
0.538E+01 0.382E+02 0.323E+02 -.556E+01 -.359E+02 -.313E+02 0.177E+00 -.228E+01 -.103E+01 -.540E-03 0.760E-03 -.235E-03
-.442E+02 0.586E+02 -.198E+02 0.465E+02 -.635E+02 0.203E+02 -.240E+01 0.496E+01 -.539E+00 0.353E-03 0.182E-04 0.472E-03
0.146E+02 0.267E+01 -.640E+02 -.152E+02 -.117E+00 0.658E+02 0.641E+00 -.255E+01 -.182E+01 -.476E-03 0.391E-03 0.360E-04
0.231E+02 0.239E+02 0.222E+02 -.278E+02 -.229E+02 -.226E+02 0.471E+01 -.974E+00 0.380E+00 -.743E-04 0.816E-04 0.443E-03
-.685E+01 -.317E+01 -.762E+02 0.706E+01 0.856E+01 0.790E+02 -.208E+00 -.539E+01 -.277E+01 0.491E-03 -.861E-03 0.377E-03
0.168E+02 -.211E+02 -.286E+01 -.223E+02 0.198E+02 0.350E+01 0.555E+01 0.134E+01 -.627E+00 -.237E-03 -.119E-03 -.454E-03
-.107E+02 -.392E+02 -.271E+02 0.797E+01 0.464E+02 0.335E+02 0.276E+01 -.722E+01 -.639E+01 0.715E-04 -.158E-03 0.825E-03
0.667E+02 -.621E+02 -.175E+02 -.589E+02 0.655E+02 0.203E+02 -.782E+01 -.344E+01 -.276E+01 -.234E-03 -.179E-03 0.102E-03
0.224E+02 -.797E+02 -.341E+01 -.263E+02 0.823E+02 0.535E+01 0.392E+01 -.255E+01 -.193E+01 0.124E-03 -.480E-03 0.144E-03
0.600E+02 -.504E+02 -.367E+02 -.645E+02 0.450E+02 0.387E+02 0.455E+01 0.537E+01 -.204E+01 0.161E-03 -.277E-03 -.843E-03
0.987E+01 0.119E+02 -.991E+02 -.934E+01 -.104E+02 0.102E+03 -.531E+00 -.157E+01 -.245E+01 0.213E-03 0.102E-03 -.233E-03
-.236E+02 -.133E+02 0.427E+02 0.227E+02 0.137E+02 -.445E+02 0.888E+00 -.392E+00 0.179E+01 0.834E-03 0.190E-03 0.694E-03
-.151E+02 0.349E+02 0.137E+02 0.184E+02 -.442E+02 -.171E+02 -.327E+01 0.933E+01 0.341E+01 -.351E-03 -.634E-03 -.253E-03
0.179E+02 -.598E+02 -.854E+01 -.167E+02 0.603E+02 0.112E+02 -.120E+01 -.512E+00 -.269E+01 -.106E-03 0.621E-03 0.200E-03
0.714E+01 -.291E+02 0.819E+00 -.135E+02 0.327E+02 -.252E+01 0.636E+01 -.359E+01 0.170E+01 0.526E-04 -.248E-03 -.673E-03
0.199E+02 -.967E+01 -.468E+00 -.225E+02 0.141E+02 0.347E+01 0.259E+01 -.438E+01 -.300E+01 -.632E-03 -.604E-03 -.512E-03
0.618E+02 0.490E+02 -.408E+02 -.621E+02 -.517E+02 0.397E+02 0.263E+00 0.263E+01 0.113E+01 0.780E-03 0.280E-03 -.197E-04
-.398E+01 0.577E+02 -.482E+02 0.678E+01 -.652E+02 0.435E+02 -.281E+01 0.750E+01 0.476E+01 0.673E-03 -.606E-03 -.620E-03
0.381E+02 -.476E+02 -.368E+01 -.402E+02 0.496E+02 0.392E+01 0.207E+01 -.197E+01 -.237E+00 0.376E-03 0.155E-03 0.510E-03
-.510E+02 -.578E+01 -.735E+00 0.465E+02 0.581E+01 -.117E+01 0.455E+01 -.298E-01 0.190E+01 0.219E-03 0.115E-03 -.420E-03
-.355E+02 0.749E+02 0.325E+02 0.361E+02 -.699E+02 -.300E+02 -.596E+00 -.500E+01 -.247E+01 0.461E-03 0.681E-03 -.332E-03
-.403E+02 0.124E+02 0.238E+02 0.451E+02 -.120E+02 -.230E+02 -.484E+01 -.428E+00 -.836E+00 0.377E-03 -.470E-03 0.105E-03
-.266E+02 0.598E+02 0.134E+02 0.256E+02 -.555E+02 -.151E+02 0.970E+00 -.426E+01 0.170E+01 0.316E-03 0.901E-03 -.355E-03
-.169E+02 -.262E+02 0.504E+02 0.172E+02 0.241E+02 -.483E+02 -.346E+00 0.208E+01 -.205E+01 0.535E-03 -.359E-03 0.590E-03
-.425E+02 -.919E+01 -.180E+02 0.479E+02 0.867E+01 0.181E+02 -.543E+01 0.524E+00 -.129E+00 0.104E-03 -.585E-03 0.381E-03
-.121E+01 0.722E+01 -.265E+02 -.116E+01 -.941E+01 0.222E+02 0.238E+01 0.220E+01 0.432E+01 -.113E-03 -.269E-03 -.779E-03
-.582E+02 0.551E+02 -.244E+02 0.577E+02 -.607E+02 0.244E+02 0.450E+00 0.552E+01 0.276E-02 0.252E-03 -.304E-03 0.454E-03
-.195E+02 0.254E+02 -.221E+02 0.206E+02 -.201E+02 0.219E+02 -.102E+01 -.533E+01 0.116E+00 0.574E-03 0.292E-03 0.375E-04
-.111E+02 -.333E+02 0.124E+02 0.153E+02 0.303E+02 -.985E+01 -.420E+01 0.308E+01 -.253E+01 0.961E-04 -.503E-03 0.350E-03
-.308E+02 -.735E+01 -.818E+01 0.279E+02 0.359E+01 0.620E+01 0.288E+01 0.376E+01 0.198E+01 -.107E-02 -.202E-03 0.634E-03
-.207E+02 0.154E+02 0.438E+02 0.209E+02 -.216E+02 -.424E+02 -.213E+00 0.612E+01 -.133E+01 -.573E-03 -.152E-03 0.272E-03
-.348E+02 -.525E+02 0.480E+02 0.335E+02 0.505E+02 -.460E+02 0.132E+01 0.204E+01 -.197E+01 -.841E-03 -.669E-03 -.237E-03
-.140E+02 -.373E+02 0.141E+02 0.140E+02 0.319E+02 -.148E+02 -.243E-01 0.534E+01 0.671E+00 -.367E-03 -.102E-02 0.135E-03
0.193E+01 -.680E+02 0.561E+02 -.650E+00 0.649E+02 -.554E+02 -.127E+01 0.311E+01 -.685E+00 -.238E-04 0.836E-04 0.332E-03
-.176E+02 0.111E+03 0.425E+02 0.177E+02 -.107E+03 -.427E+02 -.131E+00 -.321E+01 0.170E+00 0.522E-03 0.690E-03 -.326E-03
-.244E+01 -.168E+02 0.333E+02 0.256E+01 0.123E+02 -.363E+02 -.114E+00 0.443E+01 0.296E+01 0.268E-04 -.711E-03 -.113E-03
-.736E+02 -.312E+02 -.148E+02 0.689E+02 0.305E+02 0.141E+02 0.470E+01 0.707E+00 0.708E+00 -.124E-02 0.431E-03 -.396E-03
-.140E+02 -.460E+02 0.271E+02 0.931E+01 0.472E+02 -.291E+02 0.465E+01 -.118E+01 0.205E+01 0.261E-03 -.376E-03 0.388E-03
-.534E+02 0.192E+02 -.230E+01 0.555E+02 -.210E+02 0.711E+01 -.203E+01 0.182E+01 -.481E+01 -.116E-03 -.537E-04 0.430E-03
0.268E+02 0.174E+02 0.186E+02 -.323E+02 -.171E+02 -.177E+02 0.548E+01 -.374E+00 -.890E+00 -.933E-03 0.863E-03 -.467E-03
0.303E+02 0.715E+02 0.252E+02 -.263E+02 -.692E+02 -.240E+02 -.400E+01 -.223E+01 -.117E+01 0.352E-03 -.261E-03 0.279E-03
0.160E+02 -.533E+02 0.407E+02 -.179E+02 0.494E+02 -.385E+02 0.196E+01 0.391E+01 -.215E+01 -.161E-03 -.753E-03 0.857E-03
0.457E+01 0.479E+01 -.138E+01 -.269E+01 -.158E+01 -.290E+01 -.188E+01 -.322E+01 0.429E+01 0.339E-03 -.160E-03 -.300E-03
0.155E+02 0.608E+02 0.231E+02 -.146E+02 -.650E+02 -.202E+02 -.902E+00 0.420E+01 -.290E+01 -.623E-04 0.774E-03 -.318E-03
0.648E+01 0.724E+02 0.141E+02 -.740E+01 -.687E+02 -.107E+02 0.910E+00 -.370E+01 -.342E+01 -.246E-03 0.778E-03 -.221E-03
0.156E+02 -.995E+01 0.616E+01 -.127E+02 0.122E+02 -.249E+01 -.288E+01 -.223E+01 -.367E+01 -.228E-03 0.434E-03 -.837E-04
0.776E+02 0.138E+02 -.166E+02 -.767E+02 -.175E+02 0.201E+02 -.844E+00 0.371E+01 -.354E+01 0.148E-03 -.725E-03 0.122E-02
0.591E+02 0.885E+02 0.175E+02 -.578E+02 -.857E+02 -.167E+02 -.126E+01 -.274E+01 -.787E+00 0.886E-04 0.166E-02 0.631E-03
-.116E+02 -.385E+02 0.403E+02 0.118E+02 0.343E+02 -.376E+02 -.150E+00 0.423E+01 -.270E+01 0.606E-03 -.766E-03 0.513E-03
-.411E+02 -.551E+00 0.189E+02 0.413E+02 0.560E+01 -.189E+02 -.244E+00 -.505E+01 -.254E-01 0.715E-03 0.546E-04 0.765E-04
0.626E+02 -.419E+02 -.350E+01 -.626E+02 0.376E+02 0.223E+01 0.230E-01 0.425E+01 0.127E+01 0.791E-03 -.434E-03 -.867E-03
-.692E+02 -.286E+02 -.462E+02 0.672E+02 0.290E+02 0.450E+02 0.206E+01 -.465E+00 0.119E+01 -.756E-03 -.406E-03 -.213E-02
-.800E+02 -.547E+01 0.588E+02 0.783E+02 0.537E+01 -.573E+02 0.166E+01 0.100E+00 -.147E+01 -.587E-03 -.153E-02 0.781E-03
0.324E+02 -.162E+02 0.258E+02 -.372E+02 0.167E+02 -.280E+02 0.478E+01 -.534E+00 0.218E+01 -.334E-03 -.538E-03 0.193E-03
0.346E+02 0.248E+02 0.551E+01 -.285E+02 -.251E+02 -.592E+01 -.615E+01 0.306E+00 0.406E+00 0.770E-04 0.567E-03 -.355E-03
0.155E+02 0.182E+02 0.716E+01 -.151E+02 -.239E+02 -.706E+01 -.409E+00 0.575E+01 -.103E+00 -.378E-03 0.515E-03 -.505E-04
-.611E+02 -.239E+02 0.509E+01 0.616E+02 0.192E+02 -.890E+01 -.553E+00 0.469E+01 0.381E+01 -.516E-05 -.697E-03 -.725E-03
-.189E+02 0.603E+02 -.144E+02 0.177E+02 -.580E+02 0.144E+02 0.113E+01 -.229E+01 -.522E-01 -.824E-03 0.311E-03 -.776E-03
0.423E+02 0.694E+02 -.232E+02 -.462E+02 -.735E+02 0.193E+02 0.389E+01 0.404E+01 0.392E+01 -.431E-04 0.473E-03 -.113E-03
0.148E+02 0.254E+02 -.119E+02 -.137E+02 -.227E+02 0.157E+02 -.109E+01 -.273E+01 -.378E+01 -.251E-03 0.113E-02 0.388E-03
-.929E+01 0.887E+01 -.140E+02 0.776E+01 -.483E+01 0.108E+02 0.153E+01 -.404E+01 0.326E+01 -.955E-03 0.342E-03 -.233E-03
0.904E+01 0.117E+02 0.160E+02 -.815E+01 -.601E+01 -.153E+02 -.895E+00 -.573E+01 -.690E+00 0.412E-03 0.656E-03 -.215E-03
0.255E+02 -.808E+01 0.375E+02 -.231E+02 0.464E+01 -.408E+02 -.235E+01 0.344E+01 0.329E+01 -.449E-03 0.295E-04 -.302E-04
0.121E+02 0.779E+01 0.131E+01 -.105E+02 -.347E+01 -.372E+01 -.161E+01 -.432E+01 0.241E+01 -.122E-03 0.444E-03 0.392E-03
0.280E+02 -.146E+02 -.168E+02 -.338E+02 0.144E+02 0.160E+02 0.577E+01 0.235E+00 0.753E+00 -.398E-03 -.749E-03 0.357E-03
0.408E+02 -.367E+02 -.651E+02 -.397E+02 0.352E+02 0.633E+02 -.109E+01 0.152E+01 0.175E+01 0.686E-03 -.768E-03 0.388E-03
0.799E+01 -.797E+02 -.373E+02 -.942E+01 0.785E+02 0.359E+02 0.143E+01 0.123E+01 0.135E+01 -.204E-03 -.247E-03 -.487E-03
0.978E+01 -.262E+02 -.379E+02 -.143E+02 0.270E+02 0.405E+02 0.452E+01 -.852E+00 -.264E+01 -.199E-03 -.134E-03 0.197E-03
0.138E+02 0.122E+02 -.312E+02 -.189E+02 -.115E+02 0.296E+02 0.514E+01 -.680E+00 0.156E+01 0.142E-03 0.303E-03 -.308E-03
0.511E+01 -.323E+02 -.321E+02 -.561E+01 0.266E+02 0.317E+02 0.495E+00 0.564E+01 0.441E+00 0.400E-03 -.796E-03 -.167E-04
-.103E+02 0.421E+02 0.299E+01 0.932E+01 -.454E+02 0.141E+01 0.101E+01 0.331E+01 -.440E+01 -.249E-04 0.173E-04 -.338E-03
0.991E+01 -.285E+02 0.774E+01 -.993E+01 0.335E+02 -.823E+01 0.255E-01 -.503E+01 0.483E+00 -.121E-03 -.122E-04 -.156E-03
0.609E+02 0.858E+01 -.190E+02 -.563E+02 -.913E+01 0.184E+02 -.453E+01 0.552E+00 0.540E+00 0.293E-03 -.698E-03 -.875E-03
-.127E+02 0.336E+02 -.174E+02 0.168E+02 -.351E+02 0.213E+02 -.407E+01 0.157E+01 -.396E+01 0.528E-03 0.140E-03 0.864E-03
0.144E+02 -.501E+01 -.121E+02 -.111E+02 0.961E+01 0.133E+02 -.331E+01 -.459E+01 -.122E+01 0.590E-03 0.188E-03 0.111E-03
-.104E+02 -.178E+02 -.152E+02 0.125E+02 0.205E+02 0.191E+02 -.207E+01 -.273E+01 -.396E+01 0.851E-03 0.338E-03 0.390E-03
-.120E+03 -.798E+02 -.795E+02 0.126E+03 0.844E+02 0.810E+02 -.520E+01 -.465E+01 -.151E+01 0.282E-03 -.954E-03 0.651E-03
0.433E+02 0.930E+02 0.245E+02 -.429E+02 -.997E+02 -.234E+02 -.364E+00 0.666E+01 -.107E+01 -.603E-03 0.187E-04 -.998E-03
0.110E+03 -.268E+02 0.975E+02 -.114E+03 0.283E+02 -.103E+03 0.378E+01 -.155E+01 0.515E+01 -.123E-03 0.160E-02 0.172E-03
-.249E+02 0.914E+02 0.491E+01 0.240E+02 -.928E+02 -.383E+01 0.892E+00 0.137E+01 -.110E+01 0.114E-02 -.116E-03 -.227E-03
-.380E+02 0.511E+02 -.162E+02 0.394E+02 -.492E+02 0.169E+02 -.149E+01 -.185E+01 -.686E+00 0.634E-03 -.149E-02 -.252E-03
-.596E+02 0.643E+02 0.182E+02 0.643E+02 -.657E+02 -.208E+02 -.461E+01 0.140E+01 0.256E+01 0.779E-03 -.685E-03 -.473E-03
-.402E+02 0.818E+02 -.581E+01 0.439E+02 -.808E+02 0.148E+02 -.370E+01 -.102E+01 -.894E+01 0.110E-02 0.692E-03 -.739E-03
-.538E+02 0.780E+02 0.717E+01 0.502E+02 -.854E+02 -.183E+02 0.364E+01 0.740E+01 0.111E+02 0.402E-03 -.603E-04 0.113E-02
0.156E+02 0.155E+03 -.134E+02 -.211E+02 -.171E+03 0.211E+02 0.543E+01 0.160E+02 -.775E+01 0.712E-03 0.562E-03 -.214E-03
-.108E+03 -.408E+01 -.121E+02 0.115E+03 0.628E+01 0.770E+01 -.655E+01 -.221E+01 0.438E+01 0.588E-03 -.318E-04 0.354E-03
0.729E+01 -.501E+01 0.128E+02 -.879E+01 0.475E+01 -.146E+02 0.150E+01 0.269E+00 0.178E+01 0.489E-03 -.792E-03 0.106E-04
-.114E+03 -.112E+02 0.247E+02 0.121E+03 0.130E+02 -.221E+02 -.721E+01 -.182E+01 -.260E+01 -.133E-03 -.872E-03 0.110E-02
-.309E+02 0.178E+01 -.822E+01 0.262E+02 -.802E+01 0.115E+02 0.466E+01 0.624E+01 -.328E+01 -.188E-03 0.254E-03 0.644E-03
-.837E+02 -.295E+02 0.747E+01 0.883E+02 0.324E+02 -.743E+01 -.458E+01 -.297E+01 -.476E-01 0.105E-02 -.562E-03 -.293E-03
0.426E+02 -.467E+02 -.101E+02 -.439E+02 0.492E+02 0.104E+02 0.132E+01 -.250E+01 -.306E+00 0.173E-03 -.419E-03 -.854E-03
-.906E+01 -.328E+02 -.694E+02 0.800E+01 0.367E+02 0.735E+02 0.106E+01 -.388E+01 -.415E+01 0.550E-03 0.598E-04 -.464E-03
-.466E+01 -.183E+02 -.265E+02 0.472E+01 0.179E+02 0.272E+02 -.536E-01 0.382E+00 -.687E+00 0.819E-03 -.122E-04 -.600E-04
-.336E+02 0.396E+02 -.473E+02 0.297E+02 -.469E+02 0.538E+02 0.388E+01 0.729E+01 -.653E+01 -.972E-03 0.601E-03 -.133E-02
-.831E+02 0.252E+02 -.796E+02 0.845E+02 -.373E+02 0.873E+02 -.138E+01 0.121E+02 -.764E+01 -.403E-03 -.665E-04 -.138E-02
-.653E+02 0.353E+02 -.100E+03 0.644E+02 -.432E+02 0.108E+03 0.953E+00 0.790E+01 -.769E+01 0.679E-03 0.414E-03 -.161E-03
-.148E+02 -.232E+01 -.400E+01 0.171E+02 -.507E+01 0.182E+01 -.236E+01 0.740E+01 0.218E+01 0.402E-03 -.699E-03 0.187E-03
-.147E+02 -.187E+03 -.256E+02 0.105E+02 0.204E+03 0.347E+02 0.425E+01 -.169E+02 -.910E+01 0.418E-03 0.600E-03 -.128E-03
-.198E+02 -.177E+02 0.119E+02 0.184E+02 0.199E+02 -.126E+02 0.140E+01 -.225E+01 0.745E+00 0.421E-03 0.671E-03 0.664E-04
-.169E+03 -.129E+03 0.670E+01 0.188E+03 0.143E+03 0.201E+02 -.194E+02 -.139E+02 -.268E+02 -.115E-02 0.197E-02 0.658E-03
-.717E+02 -.928E+02 -.559E+02 0.729E+02 0.104E+03 0.647E+02 -.118E+01 -.107E+02 -.888E+01 0.581E-03 0.603E-03 -.582E-03
-.237E+02 -.973E+02 -.154E+02 0.250E+02 0.981E+02 0.190E+02 -.123E+01 -.795E+00 -.353E+01 0.961E-03 -.224E-03 0.184E-03
0.608E+02 -.403E+02 0.818E+02 -.686E+02 0.356E+02 -.918E+02 0.773E+01 0.467E+01 0.996E+01 0.818E-03 0.726E-04 0.376E-03
-.338E+02 0.272E+02 -.106E+03 0.228E+02 -.330E+02 0.113E+03 0.110E+02 0.572E+01 -.676E+01 -.738E-04 0.229E-03 0.104E-02
-.444E+02 0.127E+02 -.104E+02 0.423E+02 -.182E+02 0.146E+02 0.209E+01 0.551E+01 -.419E+01 0.259E-03 -.440E-03 0.882E-03
-.279E+02 -.246E+02 -.388E+02 0.277E+02 0.281E+02 0.372E+02 0.165E+00 -.356E+01 0.164E+01 -.102E-02 0.118E-02 -.463E-03
0.938E+01 -.156E+02 -.454E+02 -.121E+02 0.229E+02 0.449E+02 0.269E+01 -.728E+01 0.470E+00 0.780E-03 0.712E-03 0.102E-03
0.769E+01 0.112E+03 -.506E+02 -.946E+00 -.146E+03 0.596E+02 -.674E+01 0.340E+02 -.904E+01 -.285E-03 0.704E-03 0.350E-03
0.429E+02 -.724E+02 0.484E+02 -.487E+02 0.745E+02 -.567E+02 0.573E+01 -.210E+01 0.824E+01 -.113E-02 -.701E-03 0.395E-03
-.128E+02 0.358E+02 0.511E+02 0.131E+02 -.256E+02 -.514E+02 -.312E+00 -.102E+02 0.216E+00 0.648E-03 0.955E-03 -.407E-03
0.357E+02 0.283E+01 -.403E+02 -.321E+02 -.159E+01 0.390E+02 -.352E+01 -.125E+01 0.127E+01 -.708E-04 -.471E-03 0.692E-03
0.943E+01 0.775E+02 -.247E+02 -.681E+01 -.826E+02 0.286E+02 -.262E+01 0.513E+01 -.399E+01 0.200E-03 0.105E-02 -.984E-03
0.120E+03 -.115E+03 0.280E+01 -.135E+03 0.127E+03 -.363E+01 0.148E+02 -.114E+02 0.835E+00 0.773E-03 -.135E-02 -.727E-03
0.536E+02 -.320E+02 -.572E+02 -.567E+02 0.321E+02 0.599E+02 0.314E+01 -.108E+00 -.267E+01 -.161E-03 -.459E-03 -.143E-02
-.103E+03 -.614E+01 -.485E+02 0.111E+03 0.152E+02 0.558E+02 -.848E+01 -.907E+01 -.723E+01 0.775E-04 -.309E-02 0.823E-03
-.303E+02 -.184E+03 0.566E+01 0.100E+02 0.210E+03 0.115E+02 0.203E+02 -.260E+02 -.172E+02 -.671E-04 0.929E-04 0.477E-03
0.922E+02 -.196E+02 -.966E+01 -.113E+03 0.178E+02 0.955E+01 0.204E+02 0.173E+01 0.109E+00 -.109E-02 -.208E-02 0.287E-03
0.157E+02 0.965E+02 0.102E+03 0.410E+01 -.852E+02 -.130E+03 -.198E+02 -.113E+02 0.280E+02 0.103E-02 -.937E-03 0.166E-02
0.156E+03 0.711E+02 -.206E+02 -.173E+03 -.908E+02 -.299E+01 0.169E+02 0.197E+02 0.236E+02 0.895E-03 -.618E-03 0.218E-02
-.125E+03 0.950E+02 -.681E+02 0.132E+03 -.127E+03 0.643E+02 -.636E+01 0.321E+02 0.383E+01 0.299E-03 -.116E-02 0.101E-02
-.226E+02 -.715E+02 -.389E+02 0.259E+02 0.773E+02 0.416E+02 -.331E+01 -.577E+01 -.266E+01 0.527E-03 0.174E-03 -.166E-02
0.597E+02 -.581E+02 -.171E+00 -.578E+02 0.613E+02 0.551E+01 -.193E+01 -.321E+01 -.533E+01 0.131E-02 -.102E-02 -.103E-02
-.825E+01 -.543E+02 0.826E+01 -.236E+01 0.547E+02 -.123E+02 0.106E+02 -.493E+00 0.403E+01 0.620E-03 -.382E-03 -.103E-02
0.589E+02 0.367E+02 -.428E+01 -.589E+02 -.469E+02 0.176E+02 0.332E-01 0.102E+02 -.133E+02 0.133E-02 -.404E-03 -.291E-04
-.140E+02 0.131E+03 0.502E+02 0.134E+02 -.152E+03 -.472E+02 0.633E+00 0.204E+02 -.307E+01 -.772E-03 -.234E-02 0.787E-03
0.661E+02 -.316E+02 0.265E+02 -.769E+02 0.310E+02 -.298E+02 0.109E+02 0.597E+00 0.326E+01 -.155E-02 -.194E-03 0.138E-03
0.158E+02 -.209E+03 -.749E+02 -.500E+02 0.213E+03 0.898E+02 0.342E+02 -.450E+01 -.149E+02 -.223E-02 0.197E-02 0.752E-03
0.101E+03 0.106E+03 -.383E+02 -.109E+03 -.133E+03 0.576E+02 0.769E+01 0.275E+02 -.193E+02 -.279E-04 0.152E-02 0.761E-03
0.576E+02 -.132E+02 -.644E+01 -.597E+02 0.116E+02 0.730E+01 0.210E+01 0.163E+01 -.870E+00 0.590E-03 -.681E-03 0.633E-03
-.137E+03 -.789E+02 0.107E+02 0.141E+03 0.787E+02 -.153E+02 -.413E+01 0.245E+00 0.461E+01 0.131E-03 0.274E-03 0.792E-03
0.617E+02 -.221E+03 0.126E+03 -.638E+02 0.252E+03 -.144E+03 0.212E+01 -.314E+02 0.185E+02 0.619E-03 0.163E-02 -.362E-03
0.457E+02 0.186E+03 -.775E+02 -.383E+02 -.193E+03 0.933E+02 -.740E+01 0.653E+01 -.158E+02 -.319E-03 0.167E-02 0.922E-03
0.590E+02 0.900E+02 -.368E+02 -.491E+02 -.937E+02 0.286E+02 -.991E+01 0.366E+01 0.814E+01 -.614E-03 0.103E-02 0.291E-03
-.380E+02 -.106E+02 0.497E+02 0.487E+02 0.343E+01 -.522E+02 -.107E+02 0.722E+01 0.251E+01 0.113E-03 0.927E-04 0.102E-03
-.440E+02 -.961E+00 0.519E+02 0.464E+02 -.552E+01 -.544E+02 -.244E+01 0.648E+01 0.243E+01 -.208E-02 0.797E-03 -.754E-03
0.374E+02 0.442E+02 0.241E+02 -.443E+02 -.403E+02 -.218E+02 0.687E+01 -.386E+01 -.232E+01 -.235E-03 0.142E-02 -.655E-03
-.432E+02 0.265E+02 0.713E+02 0.574E+02 -.266E+02 -.746E+02 -.142E+02 0.163E+00 0.334E+01 -.911E-04 0.284E-03 -.503E-03
-.288E+02 0.845E+02 0.560E+02 0.300E+02 -.886E+02 -.598E+02 -.117E+01 0.410E+01 0.380E+01 -.657E-03 0.100E-02 -.395E-03
0.992E+02 0.574E+02 0.431E+02 -.105E+03 -.587E+02 -.411E+02 0.581E+01 0.134E+01 -.193E+01 -.123E-02 0.122E-02 -.894E-03
-.402E+02 0.913E+02 -.336E+01 0.473E+02 -.922E+02 0.897E+00 -.713E+01 0.830E+00 0.246E+01 -.534E-03 0.289E-03 -.323E-03
-.720E+02 0.433E+02 -.493E+02 0.810E+02 -.412E+02 0.530E+02 -.903E+01 -.206E+01 -.363E+01 0.953E-05 0.485E-04 0.953E-03
-.248E+02 -.217E+02 0.722E+01 0.300E+02 0.275E+02 -.940E+01 -.515E+01 -.581E+01 0.219E+01 -.911E-03 0.992E-03 -.391E-04
0.400E+02 -.422E+02 -.178E+02 -.452E+02 0.451E+02 0.178E+02 0.524E+01 -.286E+01 -.375E-01 0.535E-04 -.355E-03 0.467E-03
0.910E+01 0.236E+02 -.194E+02 -.998E+01 -.237E+02 0.201E+02 0.883E+00 0.121E+00 -.685E+00 0.650E-04 0.174E-03 0.748E-03
-.481E+01 0.988E+01 -.469E+02 0.517E+01 -.338E+01 0.461E+02 -.360E+00 -.650E+01 0.774E+00 -.262E-03 0.323E-03 0.182E-03
0.150E+02 0.294E+02 -.429E+02 -.101E+02 -.267E+02 0.454E+02 -.491E+01 -.269E+01 -.242E+01 -.663E-03 0.540E-03 0.116E-02
0.180E+03 -.786E+02 -.128E+02 -.197E+03 0.816E+02 0.164E+02 0.164E+02 -.305E+01 -.358E+01 -.984E-03 -.439E-03 -.463E-03
-.114E+02 0.897E+02 0.623E+02 0.123E+02 -.115E+03 -.611E+02 -.857E+00 0.257E+02 -.122E+01 -.230E-03 -.375E-03 0.103E-03
0.110E+03 0.238E+02 0.358E+02 -.115E+03 -.332E+02 -.434E+02 0.445E+01 0.934E+01 0.760E+01 -.132E-03 -.553E-04 0.788E-03
0.207E+03 -.284E+02 -.290E+02 -.239E+03 0.360E+02 0.119E+02 0.313E+02 -.753E+01 0.171E+02 -.135E-02 0.316E-03 -.102E-02
0.512E-01 -.939E+01 -.658E+02 -.183E+02 0.124E+02 0.993E+02 0.183E+02 -.302E+01 -.336E+02 -.504E-03 0.454E-03 -.586E-03
-.431E+02 -.120E+03 0.121E+02 0.790E+02 0.127E+03 -.400E+01 -.359E+02 -.708E+01 -.807E+01 -.964E-03 0.473E-03 -.513E-03
0.114E+03 -.302E+02 0.154E+03 -.124E+03 0.461E+02 -.183E+03 0.997E+01 -.159E+02 0.290E+02 -.981E-03 -.831E-03 -.182E-02
0.447E+02 -.123E+02 -.350E+02 -.501E+02 0.131E+02 0.341E+02 0.541E+01 -.820E+00 0.888E+00 0.483E-03 0.285E-03 0.341E-03
0.125E+02 -.145E+02 -.211E+02 -.118E+02 0.134E+02 0.187E+02 -.754E+00 0.111E+01 0.246E+01 0.302E-03 -.904E-04 -.509E-03
0.754E+02 0.625E+02 -.909E+02 -.871E+02 -.811E+02 0.971E+02 0.118E+02 0.186E+02 -.623E+01 0.833E-03 -.161E-02 -.434E-04
-.324E+02 0.515E+02 0.377E+02 0.396E+02 -.595E+02 -.472E+02 -.719E+01 0.807E+01 0.950E+01 0.968E-03 0.130E-03 0.134E-02
-.214E+02 -.673E+01 -.105E+02 0.237E+02 0.997E+01 0.123E+02 -.226E+01 -.323E+01 -.180E+01 -.445E-03 -.994E-03 -.742E-03
0.697E+02 -.481E+02 0.128E+02 -.756E+02 0.488E+02 -.138E+02 0.589E+01 -.643E+00 0.952E+00 0.991E-03 0.808E-03 0.831E-03
-.267E+01 -.169E+02 -.805E+01 0.846E+00 0.174E+02 0.902E+01 0.182E+01 -.547E+00 -.977E+00 0.908E-03 -.282E-03 -.966E-03
-.211E+02 -.178E+02 0.463E+02 0.227E+02 0.238E+02 -.473E+02 -.161E+01 -.600E+01 0.103E+01 -.118E-02 -.105E-02 -.511E-03
0.903E+02 0.811E+02 -.423E+02 -.942E+02 -.922E+02 0.489E+02 0.388E+01 0.110E+02 -.657E+01 -.558E-03 -.146E-02 -.989E-03
0.113E+02 -.263E+02 -.181E+02 -.393E+01 0.297E+02 0.221E+02 -.734E+01 -.340E+01 -.397E+01 -.345E-03 -.613E-03 -.119E-02
0.805E+02 -.130E+02 -.455E+02 -.880E+02 0.139E+02 0.485E+02 0.743E+01 -.873E+00 -.299E+01 0.130E-02 0.262E-03 0.164E-03
-.263E+01 0.343E+01 0.137E+02 0.319E+01 -.832E+01 -.129E+02 -.553E+00 0.489E+01 -.782E+00 0.614E-03 -.400E-03 0.104E-02
0.756E+02 -.613E+01 -.540E+02 -.840E+02 -.818E+00 0.593E+02 0.831E+01 0.695E+01 -.529E+01 0.157E-02 -.155E-03 0.665E-03
-.318E+02 -.187E+02 -.448E+02 0.331E+02 0.215E+02 0.490E+02 -.138E+01 -.280E+01 -.427E+01 0.168E-03 0.747E-04 -.755E-04
0.310E+02 0.502E+02 0.235E+02 -.351E+02 -.531E+02 -.248E+02 0.407E+01 0.285E+01 0.133E+01 0.122E-03 0.969E-04 -.155E-03
0.301E+02 0.294E+02 -.125E+02 -.339E+02 -.321E+02 0.148E+02 0.383E+01 0.271E+01 -.223E+01 0.149E-03 -.130E-06 -.732E-04
0.109E+02 0.319E+02 -.406E+02 -.127E+02 -.338E+02 0.453E+02 0.173E+01 0.186E+01 -.466E+01 0.657E-04 0.159E-03 -.586E-04
-.444E+02 -.304E+01 0.369E+02 0.487E+02 0.363E+01 -.400E+02 -.433E+01 -.587E+00 0.313E+01 0.134E-03 -.751E-05 0.948E-04
0.231E+02 0.263E+02 -.297E+02 -.263E+02 -.295E+02 0.324E+02 0.321E+01 0.317E+01 -.271E+01 0.132E-04 -.146E-03 0.157E-03
-.667E+01 -.519E+02 -.215E+02 0.681E+01 0.569E+02 0.229E+02 -.137E+00 -.502E+01 -.144E+01 -.726E-04 -.107E-03 -.212E-03
0.197E+02 -.259E+02 0.145E+02 -.228E+02 0.296E+02 -.165E+02 0.311E+01 -.363E+01 0.201E+01 0.520E-04 -.457E-04 0.130E-03
0.257E+02 0.312E+02 -.392E+02 -.290E+02 -.335E+02 0.426E+02 0.326E+01 0.230E+01 -.342E+01 0.155E-03 0.786E-04 -.569E-04
-.430E+01 -.482E+02 0.405E+02 0.460E+01 0.519E+02 -.441E+02 -.306E+00 -.372E+01 0.360E+01 -.554E-05 -.136E-03 0.121E-03
-.514E+02 0.523E+00 -.408E+02 0.556E+02 -.108E+01 0.439E+02 -.420E+01 0.559E+00 -.309E+01 -.160E-03 -.113E-03 0.286E-03
-.222E+02 -.264E+02 0.504E+02 0.245E+02 0.289E+02 -.543E+02 -.227E+01 -.249E+01 0.394E+01 -.257E-03 0.418E-05 0.148E-03
-.501E+02 0.331E+01 0.282E+02 0.547E+02 -.481E+01 -.305E+02 -.457E+01 0.151E+01 0.231E+01 -.288E-03 -.173E-03 -.142E-03
0.923E+01 -.545E+02 0.316E+02 -.108E+02 0.584E+02 -.346E+02 0.158E+01 -.393E+01 0.293E+01 -.789E-04 -.218E-03 0.279E-04
-.285E+02 -.274E+02 0.317E+02 0.320E+02 0.302E+02 -.348E+02 -.349E+01 -.276E+01 0.310E+01 -.808E-04 0.633E-04 0.140E-03
-.853E+00 0.395E+02 -.353E+02 0.623E+00 -.415E+02 0.402E+02 0.227E+00 0.206E+01 -.491E+01 0.162E-03 0.823E-04 0.255E-05
-.243E+02 -.527E+02 0.151E+02 0.264E+02 0.574E+02 -.162E+02 -.204E+01 -.467E+01 0.110E+01 0.598E-04 -.185E-03 -.129E-04
-.410E+02 -.331E+02 -.450E+02 0.433E+02 0.354E+02 0.491E+02 -.232E+01 -.232E+01 -.409E+01 -.315E-03 0.232E-03 -.855E-04
-.114E+02 0.173E+02 -.337E+02 0.122E+02 -.211E+02 0.374E+02 -.837E+00 0.377E+01 -.364E+01 0.103E-03 -.508E-04 0.830E-04
0.827E+01 0.239E+02 0.484E+02 -.100E+02 -.260E+02 -.527E+02 0.177E+01 0.212E+01 0.429E+01 0.111E-04 -.584E-04 -.337E-05
-.193E+02 0.377E+02 0.329E+02 0.216E+02 -.410E+02 -.363E+02 -.230E+01 0.322E+01 0.341E+01 -.249E-03 0.196E-03 -.181E-03
0.353E+02 0.585E+02 -.164E+02 -.380E+02 -.625E+02 0.183E+02 0.266E+01 0.402E+01 -.194E+01 0.440E-04 0.124E-04 -.536E-05
-.441E+02 -.327E+02 0.160E+02 0.489E+02 0.346E+02 -.165E+02 -.481E+01 -.187E+01 0.470E+00 -.280E-05 -.811E-04 0.208E-03
0.131E+02 0.599E+02 -.702E+01 -.135E+02 -.651E+02 0.714E+01 0.410E+00 0.518E+01 -.124E+00 0.731E-04 0.220E-04 -.172E-03
-.679E+01 -.306E+02 -.551E+01 0.837E+01 0.355E+02 0.701E+01 -.158E+01 -.486E+01 -.151E+01 0.206E-05 0.333E-03 -.981E-04
-.370E+02 0.356E+02 0.243E+02 0.414E+02 -.374E+02 -.262E+02 -.442E+01 0.187E+01 0.197E+01 -.157E-04 0.110E-03 -.138E-03
0.225E+02 -.291E+02 0.390E+02 -.244E+02 0.317E+02 -.432E+02 0.191E+01 -.258E+01 0.419E+01 -.152E-03 0.128E-03 -.215E-03
0.569E+02 0.608E+01 0.252E+02 -.610E+02 -.616E+01 -.285E+02 0.409E+01 0.741E-01 0.327E+01 0.117E-04 -.132E-03 0.299E-03
-.231E+02 0.462E+02 0.184E+02 0.272E+02 -.493E+02 -.199E+02 -.410E+01 0.315E+01 0.156E+01 0.349E-04 0.490E-03 0.182E-03
0.164E+02 -.227E+02 0.530E+02 -.191E+02 0.238E+02 -.573E+02 0.275E+01 -.118E+01 0.428E+01 0.178E-03 -.232E-03 0.243E-03
0.154E+02 0.316E+02 -.312E+02 -.182E+02 -.346E+02 0.345E+02 0.281E+01 0.301E+01 -.328E+01 0.225E-03 0.544E-04 -.107E-03
-.182E+02 -.295E+02 -.343E+02 0.214E+02 0.316E+02 0.380E+02 -.317E+01 -.206E+01 -.368E+01 0.140E-03 -.117E-03 -.239E-03
-.149E+02 -.452E+02 -.367E+02 0.156E+02 0.493E+02 0.402E+02 -.712E+00 -.413E+01 -.350E+01 -.246E-03 -.137E-03 -.553E-03
-.498E+02 -.173E+02 -.189E+02 0.536E+02 0.196E+02 0.221E+02 -.383E+01 -.232E+01 -.316E+01 -.914E-04 -.435E-03 0.138E-03
-.946E+01 -.320E+02 -.271E+02 0.114E+02 0.349E+02 0.310E+02 -.197E+01 -.288E+01 -.394E+01 -.141E-03 -.181E-03 -.737E-04
0.428E+02 0.296E+02 -.330E+02 -.457E+02 -.321E+02 0.364E+02 0.289E+01 0.258E+01 -.343E+01 0.126E-04 0.405E-04 -.473E-04
0.342E+02 -.213E+02 0.291E+02 -.377E+02 0.241E+02 -.319E+02 0.343E+01 -.278E+01 0.280E+01 -.107E-03 0.318E-03 -.457E-04
-.453E+02 -.283E+02 -.357E+02 0.490E+02 0.302E+02 0.389E+02 -.362E+01 -.191E+01 -.320E+01 -.951E-04 -.131E-03 -.344E-03
-.126E+02 0.298E+02 -.485E+02 0.134E+02 -.319E+02 0.535E+02 -.761E+00 0.209E+01 -.492E+01 -.238E-03 0.122E-03 -.171E-03
0.120E+02 -.273E+02 0.497E+01 -.123E+02 0.324E+02 -.644E+01 0.264E+00 -.504E+01 0.148E+01 -.450E-04 0.166E-03 -.314E-04
-.270E+02 0.294E+02 0.287E+02 0.304E+02 -.320E+02 -.317E+02 -.343E+01 0.258E+01 0.304E+01 0.488E-04 0.241E-03 0.939E-04
-.438E+02 0.213E+02 -.221E+02 0.482E+02 -.229E+02 0.241E+02 -.448E+01 0.157E+01 -.195E+01 -.191E-03 0.134E-03 -.112E-03
-.238E+02 0.506E+02 -.201E+02 0.258E+02 -.546E+02 0.226E+02 -.199E+01 0.402E+01 -.256E+01 0.147E-03 0.196E-03 -.135E-03
0.340E+02 0.364E+01 -.332E+02 -.370E+02 -.475E+01 0.373E+02 0.303E+01 0.111E+01 -.410E+01 -.274E-03 0.795E-04 0.170E-04
0.339E+02 0.678E+01 -.397E+02 -.371E+02 -.717E+01 0.439E+02 0.314E+01 0.383E+00 -.418E+01 -.330E-04 0.417E-04 0.108E-03
-.321E+02 0.258E+02 0.168E+02 0.354E+02 -.291E+02 -.191E+02 -.337E+01 0.326E+01 0.228E+01 -.803E-04 -.146E-03 0.416E-04
0.156E+02 -.379E+02 0.113E+02 -.169E+02 0.421E+02 -.146E+02 0.129E+01 -.418E+01 0.331E+01 0.229E-03 -.241E-03 0.170E-03
0.332E+02 -.183E+02 -.451E+02 -.361E+02 0.194E+02 0.496E+02 0.291E+01 -.106E+01 -.453E+01 -.379E-04 -.889E-04 -.208E-03
-.156E+01 0.214E+02 0.365E+02 0.182E+01 -.242E+02 -.410E+02 -.255E+00 0.287E+01 0.444E+01 -.450E-04 -.485E-04 0.224E-04
-.425E+02 -.171E+02 0.128E+02 0.468E+02 0.193E+02 -.148E+02 -.429E+01 -.219E+01 0.203E+01 0.493E-04 0.850E-04 -.338E-04
-.144E+02 -.400E+02 -.403E+02 0.166E+02 0.429E+02 0.440E+02 -.220E+01 -.283E+01 -.372E+01 0.950E-04 -.223E-03 -.201E-04
0.346E+02 -.968E+01 0.385E+02 -.380E+02 0.119E+02 -.417E+02 0.345E+01 -.217E+01 0.323E+01 -.542E-04 0.916E-04 -.115E-03
-.256E+02 0.289E+02 0.317E+02 0.284E+02 -.321E+02 -.349E+02 -.281E+01 0.321E+01 0.320E+01 0.531E-04 0.409E-05 0.134E-04
0.530E+02 0.243E+02 -.425E+02 -.563E+02 -.265E+02 0.459E+02 0.328E+01 0.224E+01 -.345E+01 0.914E-04 -.113E-03 -.338E-03
0.534E+02 0.116E+02 -.660E+01 -.586E+02 -.119E+02 0.698E+01 0.518E+01 0.269E+00 -.387E+00 0.969E-04 0.131E-03 0.158E-03
0.433E+02 0.282E+02 -.377E+02 -.465E+02 -.308E+02 0.408E+02 0.321E+01 0.261E+01 -.314E+01 0.204E-03 0.261E-04 -.579E-04
-.694E+00 0.490E+02 0.541E+01 0.533E+00 -.542E+02 -.621E+01 0.164E+00 0.515E+01 0.789E+00 0.199E-03 0.887E-04 0.567E-04
-.657E+02 0.952E+01 0.170E+02 0.702E+02 -.112E+02 -.189E+02 -.457E+01 0.166E+01 0.190E+01 0.802E-04 0.792E-04 -.486E-04
-.437E+02 0.497E+02 0.303E+02 0.477E+02 -.522E+02 -.327E+02 -.397E+01 0.249E+01 0.235E+01 0.135E-03 0.118E-03 -.171E-03
0.200E+02 -.268E+02 0.389E+02 -.226E+02 0.298E+02 -.423E+02 0.261E+01 -.309E+01 0.343E+01 0.317E-04 -.201E-03 0.675E-04
-.341E+02 0.535E+02 0.221E+02 0.370E+02 -.574E+02 -.240E+02 -.292E+01 0.391E+01 0.188E+01 0.141E-03 0.169E-03 -.702E-04
0.123E+01 -.383E+02 -.208E+02 -.173E+01 0.429E+02 0.237E+02 0.505E+00 -.456E+01 -.290E+01 0.129E-03 -.568E-04 0.127E-03
0.251E+02 -.396E+02 0.175E+02 -.284E+02 0.430E+02 -.195E+02 0.332E+01 -.335E+01 0.207E+01 0.160E-04 -.125E-03 0.960E-04
-.245E+02 0.250E+02 -.502E+02 0.268E+02 -.273E+02 0.542E+02 -.231E+01 0.235E+01 -.403E+01 -.678E-04 -.113E-03 -.447E-04
-.498E+02 -.129E+02 -.301E+02 0.532E+02 0.157E+02 0.330E+02 -.340E+01 -.277E+01 -.285E+01 0.114E-03 -.450E-04 0.149E-03
-.239E+02 0.447E+02 0.189E+02 0.259E+02 -.487E+02 -.214E+02 -.201E+01 0.404E+01 0.253E+01 0.143E-03 0.685E-04 0.792E-04
0.549E+02 0.165E+01 0.158E+01 -.600E+02 -.235E+01 -.982E+00 0.511E+01 0.694E+00 -.593E+00 0.102E-03 -.991E-04 0.970E-04
-.949E+01 -.532E+02 0.413E+01 0.895E+01 0.584E+02 -.438E+01 0.530E+00 -.520E+01 0.247E+00 -.299E-03 0.789E-04 0.203E-03
0.193E+02 -.435E+02 -.143E+02 -.217E+02 0.474E+02 0.168E+02 0.240E+01 -.392E+01 -.248E+01 -.531E-04 -.175E-04 -.177E-04
0.213E+02 -.211E+02 0.353E+02 -.245E+02 0.228E+02 -.392E+02 0.324E+01 -.168E+01 0.393E+01 -.822E-04 -.709E-04 -.117E-03
-.178E+02 -.344E+02 -.341E+02 0.202E+02 0.368E+02 0.381E+02 -.247E+01 -.236E+01 -.401E+01 -.150E-03 -.279E-03 -.388E-05
0.766E+01 -.471E+02 -.250E+02 -.871E+01 0.503E+02 0.291E+02 0.106E+01 -.319E+01 -.415E+01 0.139E-04 -.231E-04 -.334E-04
-.425E+02 0.380E+02 0.338E+02 0.468E+02 -.402E+02 -.363E+02 -.426E+01 0.218E+01 0.250E+01 0.124E-03 0.524E-04 -.135E-03
0.212E+02 -.126E+02 -.386E+02 -.233E+02 0.133E+02 0.434E+02 0.211E+01 -.633E+00 -.476E+01 0.183E-04 -.143E-03 0.357E-04
-.588E+02 0.837E+01 0.255E+02 0.629E+02 -.983E+01 -.285E+02 -.408E+01 0.146E+01 0.294E+01 -.368E-03 0.135E-03 -.145E-03
-.591E+02 -.244E+02 0.196E+02 0.639E+02 0.260E+02 -.206E+02 -.483E+01 -.163E+01 0.973E+00 0.900E-04 -.122E-03 0.101E-03
0.692E+01 -.390E+02 0.921E+01 -.878E+01 0.440E+02 -.951E+01 0.186E+01 -.495E+01 0.313E+00 0.317E-05 0.913E-04 0.783E-04
-.356E+02 -.226E+02 -.126E+02 0.396E+02 0.250E+02 0.146E+02 -.405E+01 -.241E+01 -.203E+01 -.242E-03 0.267E-03 -.881E-04
0.314E+02 0.664E+01 0.434E+02 -.345E+02 -.491E+01 -.473E+02 0.305E+01 -.173E+01 0.395E+01 0.263E-05 -.176E-03 0.114E-03
0.243E+02 -.447E+02 0.365E+02 -.270E+02 0.479E+02 -.397E+02 0.271E+01 -.318E+01 0.323E+01 0.487E-04 -.287E-03 0.267E-03
0.213E+02 -.116E+02 -.413E+02 -.234E+02 0.131E+02 0.458E+02 0.205E+01 -.156E+01 -.449E+01 0.105E-03 0.725E-05 0.602E-04
0.290E+02 0.183E+01 0.499E+02 -.314E+02 -.874E+00 -.544E+02 0.241E+01 -.962E+00 0.446E+01 0.228E-04 0.243E-03 -.148E-03
0.304E+02 0.428E+02 0.322E+02 -.340E+02 -.453E+02 -.350E+02 0.366E+01 0.253E+01 0.280E+01 -.480E-04 0.761E-04 -.784E-04
0.232E+02 0.485E+02 0.120E+02 -.247E+02 -.532E+02 -.131E+02 0.150E+01 0.477E+01 0.107E+01 -.851E-04 0.221E-03 -.167E-04
0.696E+01 -.521E+02 -.120E+02 -.605E+01 0.572E+02 0.125E+02 -.908E+00 -.512E+01 -.523E+00 0.322E-04 -.370E-03 0.264E-03
0.342E+02 0.310E+02 -.324E+02 -.364E+02 -.332E+02 0.368E+02 0.221E+01 0.224E+01 -.439E+01 -.350E-04 0.422E-03 0.132E-03
-.189E+02 -.595E+02 -.764E+01 0.208E+02 0.642E+02 0.914E+01 -.189E+01 -.472E+01 -.151E+01 0.175E-03 -.948E-04 0.773E-04
-.315E+02 0.330E+02 0.360E+02 0.340E+02 -.365E+02 -.390E+02 -.242E+01 0.347E+01 0.304E+01 0.172E-03 -.623E-06 0.527E-04
0.485E+02 -.486E+02 0.117E+02 -.519E+02 0.525E+02 -.126E+02 0.337E+01 -.391E+01 0.932E+00 0.266E-03 -.188E-03 -.253E-03
-.533E+01 0.327E+02 -.384E+02 0.485E+01 -.372E+02 0.414E+02 0.484E+00 0.448E+01 -.299E+01 -.184E-03 -.862E-04 -.551E-03
-.467E+01 -.337E+02 0.489E+02 0.358E+01 0.372E+02 -.528E+02 0.108E+01 -.356E+01 0.395E+01 -.160E-03 -.353E-03 0.141E-03
-.372E+02 0.175E+02 0.274E+02 0.415E+02 -.200E+02 -.293E+02 -.424E+01 0.244E+01 0.186E+01 -.116E-03 -.146E-03 0.997E-04
0.498E+02 -.118E+02 0.313E+02 -.534E+02 0.137E+02 -.345E+02 0.353E+01 -.185E+01 0.317E+01 0.329E-04 0.262E-03 -.133E-03
-.235E+02 -.323E+02 -.191E+02 0.264E+02 0.359E+02 0.212E+02 -.293E+01 -.363E+01 -.211E+01 -.224E-03 0.890E-04 -.108E-03
0.240E+02 -.376E+02 -.154E+02 -.283E+02 0.400E+02 0.169E+02 0.436E+01 -.241E+01 -.149E+01 -.287E-04 -.114E-03 -.826E-04
0.224E+02 0.307E+02 0.179E+02 -.259E+02 -.340E+02 -.205E+02 0.345E+01 0.327E+01 0.266E+01 -.197E-03 -.899E-04 -.245E-03
0.310E+02 0.154E+02 -.550E+02 -.328E+02 -.153E+02 0.601E+02 0.182E+01 -.762E-01 -.506E+01 -.708E-04 0.182E-03 0.134E-03
0.530E+02 0.236E+02 0.228E+02 -.576E+02 -.252E+02 -.248E+02 0.458E+01 0.161E+01 0.196E+01 -.569E-04 0.394E-03 0.172E-03
0.269E+02 0.342E+02 -.281E+02 -.304E+02 -.373E+02 0.306E+02 0.350E+01 0.310E+01 -.249E+01 -.323E-03 0.165E-03 -.819E-04
0.352E+02 0.296E+02 0.356E+02 -.383E+02 -.319E+02 -.390E+02 0.316E+01 0.232E+01 0.341E+01 0.709E-04 0.126E-03 -.535E-04
0.142E+02 -.558E+02 0.813E+01 -.143E+02 0.610E+02 -.829E+01 0.600E-01 -.520E+01 0.161E+00 -.101E-03 0.109E-04 0.982E-04
-.110E+02 0.538E+02 0.109E+02 0.122E+02 -.588E+02 -.119E+02 -.127E+01 0.497E+01 0.973E+00 -.499E-04 0.129E-03 0.156E-03
-.248E+02 -.345E+02 -.276E+02 0.278E+02 0.377E+02 0.303E+02 -.306E+01 -.322E+01 -.262E+01 -.242E-04 -.159E-03 0.115E-03
-.166E+02 -.185E+02 -.418E+02 0.197E+02 0.205E+02 0.458E+02 -.303E+01 -.200E+01 -.395E+01 0.740E-04 -.168E-03 0.116E-03
-.385E+02 0.129E+01 -.205E+02 0.431E+02 -.340E+01 0.222E+02 -.467E+01 0.210E+01 -.171E+01 -.117E-03 -.157E-04 -.136E-03
-.540E+02 -.119E+02 -.189E+02 0.590E+02 0.129E+02 0.198E+02 -.497E+01 -.986E+00 -.947E+00 0.187E-04 -.252E-04 0.278E-04
-.208E+02 0.320E+02 -.455E+02 0.227E+02 -.348E+02 0.493E+02 -.195E+01 0.286E+01 -.388E+01 0.337E-04 0.855E-04 -.728E-04
0.151E+02 -.469E+02 0.198E+02 -.172E+02 0.506E+02 -.229E+02 0.212E+01 -.366E+01 0.304E+01 0.164E-03 -.250E-03 -.428E-05
-.507E+02 -.609E+01 0.201E+02 0.552E+02 0.782E+01 -.220E+02 -.449E+01 -.173E+01 0.191E+01 0.105E-03 0.679E-04 -.157E-03
0.277E+02 0.300E+02 -.291E+02 -.304E+02 -.334E+02 0.321E+02 0.263E+01 0.336E+01 -.300E+01 -.535E-04 -.427E-04 -.399E-05
0.478E+02 -.185E+02 0.291E+02 -.510E+02 0.206E+02 -.327E+02 0.318E+01 -.215E+01 0.361E+01 -.352E-04 -.184E-03 -.221E-03
-.924E+01 -.149E+02 0.434E+02 0.994E+01 0.176E+02 -.478E+02 -.707E+00 -.269E+01 0.438E+01 0.321E-04 0.350E-04 0.203E-03
-.150E+02 0.330E+02 0.268E+02 0.165E+02 -.368E+02 -.301E+02 -.152E+01 0.380E+01 0.331E+01 0.341E-04 -.774E-04 -.126E-04
0.350E+02 -.242E+02 0.338E+02 -.383E+02 0.261E+02 -.374E+02 0.339E+01 -.189E+01 0.355E+01 0.276E-03 0.382E-04 0.801E-04
0.339E+02 0.375E+01 0.357E+02 -.382E+02 -.415E+01 -.389E+02 0.427E+01 0.399E+00 0.323E+01 0.130E-03 -.485E-04 0.142E-03
-.141E+02 -.470E+02 -.122E+02 0.152E+02 0.513E+02 0.152E+02 -.113E+01 -.435E+01 -.305E+01 -.277E-03 -.207E-03 -.128E-03
0.385E+02 -.629E+01 0.391E+02 -.431E+02 0.576E+01 -.419E+02 0.458E+01 0.530E+00 0.281E+01 0.122E-03 0.192E-04 0.178E-03
0.321E+02 0.336E+02 0.312E+02 -.364E+02 -.353E+02 -.338E+02 0.436E+01 0.177E+01 0.264E+01 0.135E-03 0.682E-04 -.189E-03
0.419E+02 0.193E+02 0.342E+02 -.457E+02 -.195E+02 -.380E+02 0.372E+01 0.226E+00 0.383E+01 -.923E-04 0.384E-03 0.145E-03
-.488E+02 -.453E+01 0.217E+02 0.533E+02 0.404E+01 -.245E+02 -.453E+01 0.493E+00 0.287E+01 -.126E-03 -.139E-03 -.548E-03
-.263E+02 0.358E+02 0.272E+02 0.284E+02 -.402E+02 -.295E+02 -.209E+01 0.435E+01 0.230E+01 -.106E-03 -.408E-03 0.232E-03
-.373E+02 0.155E+02 0.182E+02 0.419E+02 -.158E+02 -.207E+02 -.468E+01 0.305E+00 0.257E+01 -.884E-04 0.122E-04 -.299E-03
0.487E+02 0.839E+01 -.331E+02 -.532E+02 -.998E+01 0.354E+02 0.458E+01 0.160E+01 -.225E+01 0.242E-03 -.257E-03 0.164E-03
-.893E+01 -.550E+02 0.173E+02 0.997E+01 0.597E+02 -.198E+02 -.104E+01 -.473E+01 0.247E+01 -.560E-04 -.160E-03 -.596E-04
0.229E+01 -.667E+01 0.216E+02 -.281E+01 0.931E+01 -.232E+02 0.532E+00 -.264E+01 0.164E+01 0.104E-03 0.121E-03 -.161E-03
-.220E+02 -.365E+02 0.139E+02 0.223E+02 0.392E+02 -.155E+02 -.281E+00 -.273E+01 0.162E+01 0.187E-04 -.422E-04 -.486E-04
0.726E+01 0.167E+02 0.231E+02 -.829E+01 -.194E+02 -.244E+02 0.103E+01 0.271E+01 0.130E+01 -.161E-03 0.169E-03 0.530E-04
-.240E+02 -.297E+01 0.192E+02 0.267E+02 0.261E+01 -.210E+02 -.265E+01 0.362E+00 0.176E+01 0.521E-04 -.134E-03 -.681E-04
0.346E+02 -.657E+01 0.200E+02 -.373E+02 0.630E+01 -.218E+02 0.269E+01 0.284E+00 0.178E+01 0.134E-03 -.119E-03 -.325E-03
-.704E+01 -.255E+02 -.185E+02 0.828E+01 0.280E+02 0.200E+02 -.124E+01 -.246E+01 -.154E+01 -.364E-04 -.974E-04 0.628E-04
0.124E+02 0.219E+02 0.137E+02 -.132E+02 -.246E+02 -.154E+02 0.791E+00 0.269E+01 0.172E+01 -.139E-03 -.117E-03 -.778E-04
-.851E+01 0.321E+02 -.115E+02 0.878E+01 -.350E+02 0.130E+02 -.269E+00 0.289E+01 -.142E+01 -.115E-03 0.172E-03 0.978E-04
-.411E+02 0.783E+01 -.233E+02 0.439E+02 -.769E+01 0.243E+02 -.283E+01 -.143E+00 -.102E+01 -.104E-04 0.420E-04 0.258E-03
0.146E+01 -.391E+02 -.663E+01 -.177E+01 0.420E+02 0.751E+01 0.308E+00 -.298E+01 -.885E+00 0.231E-04 -.856E-04 -.318E-04
-.797E+02 -.175E+02 0.320E+02 0.875E+02 0.174E+02 -.347E+02 -.780E+01 0.549E-01 0.267E+01 -.949E-05 -.570E-04 -.109E-04
0.367E+02 0.848E+02 -.138E+02 -.399E+02 -.921E+02 0.158E+02 0.315E+01 0.735E+01 -.201E+01 0.207E-03 -.138E-03 0.331E-03
0.366E+02 -.181E+02 -.623E+02 -.399E+02 0.208E+02 0.691E+02 0.328E+01 -.273E+01 -.682E+01 0.148E-03 -.155E-03 0.267E-03
-.282E+01 -.274E+02 -.579E+02 0.172E+01 0.294E+02 0.629E+02 0.109E+01 -.198E+01 -.501E+01 0.137E-03 -.526E-04 0.464E-03
-.538E+02 0.200E+02 -.108E+02 0.590E+02 -.223E+02 0.109E+02 -.524E+01 0.234E+01 -.149E+00 0.321E-03 -.258E-03 0.298E-03
-.200E+02 -.492E+02 0.130E+02 0.202E+02 0.535E+02 -.166E+02 -.279E+00 -.432E+01 0.363E+01 0.105E-03 -.517E-04 0.164E-03
0.112E+01 0.266E+02 -.701E+02 -.229E+00 -.299E+02 0.775E+02 -.890E+00 0.330E+01 -.745E+01 -.188E-03 0.945E-04 -.237E-03
-.583E+02 0.435E+02 0.280E+02 0.640E+02 -.486E+02 -.309E+02 -.568E+01 0.515E+01 0.294E+01 -.148E-03 0.135E-03 -.196E-03
0.619E+02 -.556E+02 0.435E+02 -.676E+02 0.599E+02 -.475E+02 0.570E+01 -.440E+01 0.399E+01 -.201E-03 0.565E-04 -.163E-03
0.219E+02 0.171E+02 0.494E+02 -.233E+02 -.194E+02 -.543E+02 0.135E+01 0.231E+01 0.491E+01 -.286E-03 -.372E-05 -.348E-03
-.402E+02 0.213E+02 -.898E+01 0.453E+02 -.232E+02 0.106E+02 -.506E+01 0.189E+01 -.160E+01 -.983E-04 -.197E-04 -.104E-03
0.459E+02 0.156E+02 -.228E+02 -.497E+02 -.171E+02 0.266E+02 0.377E+01 0.154E+01 -.379E+01 -.390E-04 -.722E-04 -.304E-03
-.332E+02 -.325E+01 0.713E+02 0.359E+02 0.166E+01 -.788E+02 -.267E+01 0.158E+01 0.751E+01 -.315E-03 0.377E-03 0.234E-03
-.256E+02 -.569E+02 -.176E+02 0.292E+02 0.637E+02 0.200E+02 -.365E+01 -.680E+01 -.242E+01 -.675E-04 0.103E-03 0.110E-03
-.710E+02 -.705E+02 -.581E+01 0.780E+02 0.749E+02 0.593E+01 -.699E+01 -.440E+01 -.106E+00 -.568E-03 0.246E-03 0.117E-03
0.542E+02 0.998E+01 0.396E+01 -.595E+02 -.122E+02 -.383E+01 0.527E+01 0.225E+01 -.140E+00 -.212E-03 0.333E-03 0.114E-03
0.266E+02 -.477E+02 0.625E+01 -.271E+02 0.531E+02 -.624E+01 0.467E+00 -.546E+01 -.571E-02 -.777E-05 0.489E-03 -.115E-03
-.925E+01 0.144E+02 0.543E+02 0.118E+02 -.159E+02 -.590E+02 -.252E+01 0.149E+01 0.471E+01 0.296E-04 0.518E-03 0.413E-04
-----------------------------------------------------------------------------------------------
-.710E+02 -.407E+02 0.516E+02 0.846E-12 0.522E-12 0.639E-13 0.710E+02 0.406E+02 -.517E+02 0.254E-02 -.397E-02 -.192E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.002392 -0.010365 -0.001667
4.30302 2.15352 7.05746 -0.001195 -0.002600 0.001814
1.30883 4.06731 2.03161 -0.003448 0.003226 -0.000216
3.96992 4.32885 4.13194 0.001553 -0.001494 -0.004593
1.29275 3.05683 8.10201 -0.001419 0.005559 0.003662
3.79636 1.47547 14.70421 0.000973 -0.002777 0.002220
1.24643 4.63551 10.86193 -0.000237 -0.009964 -0.002787
3.89005 4.20092 12.88287 0.005134 -0.002375 -0.003576
1.04482 6.69020 17.44020 -0.008530 -0.002935 -0.001792
3.77370 7.04599 6.61024 -0.003049 -0.000097 0.001246
0.71312 9.21049 2.53845 0.003069 0.006480 -0.001800
3.86880 9.70388 4.59023 -0.002824 -0.001929 0.002077
1.19399 7.29663 8.75952 -0.002168 -0.000449 0.005640
4.14925 6.52609 15.71477 0.007963 0.005152 -0.002070
1.16791 10.19708 10.50563 -0.001067 -0.001224 0.007674
3.90202 11.30466 11.97145 0.000546 -0.000120 0.001512
1.41963 13.48240 16.88000 -0.006157 -0.000429 -0.001605
3.89470 12.50036 6.39588 0.000396 -0.006199 -0.006560
1.24092 15.65995 2.03746 -0.002636 0.002465 0.006237
3.45676 13.88732 3.60018 0.002064 -0.008368 0.003371
1.37686 12.90671 8.69683 -0.001329 -0.001279 -0.003793
4.20896 12.98001 14.89140 -0.001624 -0.005975 0.004966
1.28271 15.54574 11.35729 0.002808 0.005835 0.000423
4.02704 16.14416 13.12883 -0.000339 0.002118 0.000751
8.51844 2.13686 0.32759 0.006041 -0.001389 -0.003752
10.42520 1.68659 6.72748 0.005318 0.008619 -0.005562
6.89192 4.41938 2.41726 0.000346 0.000010 0.002737
10.22536 4.35381 4.16682 -0.000350 0.005509 0.003062
7.19238 2.15284 8.75827 0.002928 0.000650 0.004217
10.67141 2.29852 15.08728 -0.007739 -0.000487 0.000190
7.24075 4.59797 11.01224 -0.002745 0.006236 -0.006046
10.30176 4.56419 12.61212 0.002548 0.007677 0.005052
6.40057 6.85176 0.36515 0.000821 -0.001493 0.004188
9.75325 6.62606 6.90745 0.007510 0.005538 -0.001327
6.24007 9.67823 1.67645 0.007170 0.004873 -0.003625
6.65558 7.06042 8.79421 -0.001002 0.000566 0.002726
11.80692 6.94639 14.05727 0.006897 -0.004019 -0.003100
6.39955 9.97659 10.34026 0.003795 0.002278 0.005173
11.03265 10.16848 13.84914 0.007392 -0.016107 -0.002152
6.77345 12.10505 16.99256 0.004872 -0.001357 0.004998
10.32223 13.09442 6.99099 0.006864 -0.000237 -0.009036
10.59365 15.96480 4.77521 0.003728 0.006889 0.000837
6.94250 12.79247 7.88185 0.007326 -0.002880 -0.000679
10.18654 12.31147 16.08279 -0.000154 -0.008490 0.016849
7.13888 17.01345 11.20310 0.008144 -0.001607 0.001238
10.37682 0.23169 12.64835 0.002707 -0.007403 0.003836
13.24904 1.54346 17.14370 -0.005962 -0.002138 0.000861
15.89410 1.64185 6.44545 0.002165 -0.001388 -0.005061
12.98857 4.28042 2.14546 0.004736 0.001919 -0.005452
15.96785 4.32998 4.48967 0.002559 -0.006574 -0.002377
13.27097 1.52537 8.57426 0.000172 0.003068 0.006059
16.03461 1.53130 15.21659 -0.006992 -0.000305 -0.003451
13.37701 3.97590 10.80799 0.003141 0.006767 0.001580
16.23421 4.17555 13.11475 0.007109 0.002627 0.003354
13.12188 6.75851 16.83328 0.000350 0.000489 -0.001255
16.15350 6.82329 6.57280 0.005390 -0.002451 0.003593
13.80451 11.28726 3.11364 -0.000751 0.001019 -0.002956
16.01530 9.31599 4.57229 -0.000929 -0.003432 0.000147
16.24774 6.95131 14.97400 0.004841 -0.003061 0.004501
13.37358 11.10317 11.33384 0.003373 -0.003254 -0.000884
16.26481 10.28310 12.82929 0.000213 0.000432 -0.002379
13.02958 12.87265 0.34345 -0.008357 0.005489 -0.000430
15.63587 13.81058 6.90598 0.002489 -0.006614 0.006068
13.11026 15.86276 1.91698 0.002836 0.000542 -0.008508
16.04847 15.98249 4.25314 -0.000116 -0.003265 -0.002831
12.92950 13.50280 9.01948 -0.003884 0.004775 -0.001005
16.03470 13.24150 15.21399 -0.001059 0.003315 0.003878
13.00717 16.52927 10.76204 -0.003736 -0.004934 0.002598
15.92967 15.85673 13.13419 0.005767 0.005139 0.007606
1.86054 17.36365 1.29865 -0.002437 0.004279 -0.002851
4.17830 2.73136 5.21241 -0.008836 0.001514 -0.000627
3.26426 5.75851 5.24301 -0.000895 -0.000736 0.001370
17.49829 1.67854 7.58538 -0.004539 -0.002005 -0.002994
1.16532 17.05709 10.27678 0.000833 -0.002170 0.000157
3.43296 5.28736 14.40974 0.002680 0.003481 0.004320
5.78979 4.58179 12.35127 0.002994 -0.000708 -0.001785
2.66622 1.96025 16.18884 -0.002658 -0.001286 -0.002896
17.32027 0.89679 16.51550 -0.001816 0.005290 -0.007147
0.46199 8.18893 0.93413 0.001839 0.002199 -0.000943
5.39231 10.11127 3.40660 -0.002661 -0.002216 0.002855
2.32066 9.80687 3.44943 0.006067 -0.002693 0.005550
4.91964 7.92130 14.71679 0.000562 -0.005200 -0.006536
2.68710 7.23238 16.69438 0.000496 -0.003417 0.000455
0.01020 10.88204 2.02154 0.003125 -0.003092 -0.000469
4.21835 0.28129 6.98759 0.001461 -0.004695 -0.004400
17.23783 13.81793 8.03064 0.000118 -0.003943 -0.003150
4.79582 14.66186 14.12172 -0.003889 0.002436 -0.002831
1.82404 14.00413 10.26937 0.002498 -0.003239 -0.008459
5.26768 16.92854 11.79676 -0.001111 -0.000567 0.001572
10.96027 2.96124 5.34122 0.003197 -0.002089 -0.000730
6.97457 3.04582 1.08259 0.002731 0.000048 0.002582
10.16898 6.05361 5.08582 -0.001682 -0.006038 -0.000540
8.34039 4.05066 3.68939 -0.002190 -0.001015 0.000500
8.74489 2.42632 7.55292 0.001254 0.000488 0.001043
7.18775 0.35634 9.46384 -0.001459 0.002998 0.000913
11.47395 4.04892 11.19556 0.003584 -0.005405 0.004583
9.15080 2.77757 16.12393 -0.004434 0.001676 0.001578
7.98734 0.36277 0.04247 -0.007590 0.002715 -0.008348
8.09306 7.37877 7.53063 -0.004830 -0.002724 -0.000254
5.20414 6.37683 7.73407 0.004949 -0.000332 0.003911
12.25313 11.32613 12.87115 0.001659 0.006299 -0.000622
7.88582 9.71337 11.41294 -0.000373 -0.001645 -0.000914
7.90588 7.26091 16.85699 -0.002012 -0.000133 0.005041
11.07224 14.64349 6.08452 0.000492 -0.000995 0.000541
9.97410 0.03402 5.82220 0.003171 -0.004439 -0.002996
11.77786 16.49122 3.26041 0.001952 0.004735 -0.004594
6.65717 11.67689 9.40508 -0.002369 0.000680 -0.003245
7.76961 15.24886 11.07941 -0.003658 -0.000688 -0.000421
8.52712 0.41686 12.29829 -0.002840 0.002609 -0.000652
13.11181 17.12784 0.26607 -0.004694 -0.001024 0.002795
13.20693 2.50512 1.34897 0.001307 0.003052 0.000830
17.29335 3.71694 3.19979 -0.000354 -0.001128 -0.001636
14.20035 4.69758 3.69278 0.000278 0.001815 -0.002416
14.59997 3.56179 12.23787 -0.003018 0.002518 0.002843
13.57708 5.48481 0.72232 0.001556 -0.000909 -0.003277
12.29749 8.18631 0.22048 -0.000092 -0.004320 0.002219
16.86596 10.59176 5.62457 0.002347 -0.001832 -0.001243
16.66958 8.43890 13.63905 -0.003852 0.000270 0.001401
16.67265 11.67449 14.15979 -0.002019 0.000311 -0.005600
14.70756 7.45696 15.98014 0.000812 -0.004715 -0.001028
16.06899 0.34084 4.92526 -0.002149 0.001724 0.001434
14.63768 15.41566 3.05858 0.000069 0.000595 -0.005566
12.21694 15.07373 9.87203 -0.001515 0.001130 -0.001549
15.65466 0.14914 13.86557 0.004497 -0.003631 0.000474
14.35754 15.71932 11.91759 0.000374 0.001351 -0.001315
14.30081 12.83268 16.21967 -0.000396 -0.000129 0.001788
8.77223 10.39607 2.47225 -0.001104 -0.001417 0.001328
12.91187 8.54216 10.48161 0.006755 -0.003695 0.004773
8.49467 15.82840 2.99445 0.003173 0.000212 0.002465
1.32045 2.68577 1.08043 0.004068 -0.001912 -0.007759
5.44581 4.42337 3.31859 -0.000130 0.001238 0.005537
2.71895 4.15019 2.95898 -0.002704 0.002812 0.000698
2.89361 2.63574 7.84048 0.000377 -0.005193 0.004265
3.72928 2.61904 13.46082 0.005927 0.003455 -0.002048
1.12195 3.42722 9.72736 0.004899 -0.001200 -0.003154
2.69176 4.49808 11.70258 -0.002455 -0.000622 -0.001166
1.13271 5.33613 0.95032 0.000593 0.007554 -0.002495
4.03043 8.42197 5.67301 0.003083 -0.004589 0.002480
3.75157 11.03623 5.64253 -0.004953 0.002959 0.001036
2.52170 7.25791 7.75547 0.004032 0.000265 -0.001423
17.39856 7.13193 7.68295 0.001649 -0.002465 0.000026
1.18188 6.06412 9.94036 -0.001000 0.002647 -0.002620
1.18202 8.73358 9.65531 0.001410 0.001138 0.001676
3.91098 11.84592 13.59643 0.001824 0.001752 -0.001094
5.12928 10.31683 11.41789 0.002232 0.001611 0.003862
2.50977 10.51875 11.46580 -0.002985 0.002279 -0.000028
17.45087 6.59897 16.12377 0.001853 0.005329 -0.001698
3.55980 13.67281 5.25157 0.000790 -0.002980 0.003369
1.28803 14.62748 0.64715 0.002082 -0.003383 -0.004150
4.98905 14.24610 3.11864 0.003411 -0.003981 -0.009864
2.40264 15.06164 3.08512 0.000685 -0.001244 -0.002786
2.72172 12.72875 7.62075 0.000422 0.000446 -0.000332
1.06333 11.39589 9.35618 -0.001858 -0.002456 -0.003494
3.61212 17.43666 14.11103 0.001023 -0.003549 -0.002807
2.61877 15.69429 12.36150 -0.001961 0.002530 -0.007732
2.80206 13.36593 15.83914 -0.000656 -0.000404 0.004313
17.47316 13.58140 16.05649 0.004115 0.001346 -0.000876
9.77890 2.08644 1.42003 -0.001746 0.000409 -0.007783
11.39452 4.37239 2.86549 -0.002732 0.003032 0.001852
5.75314 2.47184 7.89843 0.000326 -0.000589 -0.000914
10.58974 3.42804 13.84178 -0.000727 -0.001256 0.001559
7.29963 3.26088 10.01774 0.002504 0.000540 0.000615
10.61644 6.04073 13.30213 -0.005677 0.002221 0.002920
8.72282 4.57356 11.93667 -0.008441 0.000822 -0.002604
6.87268 5.85394 1.60201 -0.003332 0.010196 0.001857
10.69996 7.99849 7.09252 -0.014594 -0.003942 0.002589
5.73707 8.23825 1.01832 -0.000007 -0.009822 -0.002281
10.63831 11.82289 5.95914 0.004978 0.003291 -0.001974
12.27791 10.92294 3.59234 -0.000372 -0.001297 0.005814
7.82470 9.40720 2.06031 -0.011533 -0.007617 0.002622
7.06519 5.95381 10.03323 0.002296 0.006178 -0.003364
11.49637 8.56646 14.11248 -0.002632 0.002028 0.005297
6.22218 8.54831 9.46647 0.000466 -0.001114 0.000431
10.64255 10.88430 15.28736 -0.001625 0.021995 -0.001398
5.27533 6.08183 16.89617 0.000877 -0.002238 -0.001853
6.19392 10.87447 0.49133 -0.002992 0.001085 0.002064
6.63594 13.50144 0.40946 -0.008450 0.000744 -0.003074
9.20318 15.33527 4.12194 0.000700 0.006954 -0.005842
8.65369 12.87516 7.41323 0.007374 -0.003343 -0.003710
5.50203 12.61795 6.94111 0.002894 0.001055 0.001345
10.10713 13.64215 15.27789 0.002850 0.004711 -0.021732
10.67911 0.87544 14.08625 0.002913 0.000478 0.006374
11.60356 17.20368 11.75834 0.002217 -0.000564 0.001938
8.39118 11.91622 16.60701 -0.008827 -0.002384 0.018738
5.50451 12.34914 15.80657 0.000107 0.001320 0.003870
15.73327 3.04046 5.55542 -0.003607 -0.003221 0.003761
16.46394 5.60663 5.46979 -0.000714 0.003629 -0.001143
14.52808 1.45286 7.47168 -0.002302 -0.000190 0.000769
11.79275 1.56088 7.78873 0.002401 -0.004676 -0.000793
13.32704 0.21681 9.64565 -0.002299 -0.001544 -0.005005
16.41790 2.90736 14.26355 -0.001729 0.001817 0.000537
13.45171 2.82808 9.57211 -0.000581 -0.000269 0.003629
16.10069 5.57752 13.99343 -0.002772 0.003607 -0.003404
0.00005 4.40711 11.99025 0.000144 -0.001887 -0.001912
14.62884 1.73967 16.17160 -0.000503 0.001861 0.001299
11.98368 2.03831 16.06725 -0.003392 -0.000275 -0.000330
15.63239 8.11986 5.68103 0.002091 0.001596 -0.004220
17.11138 8.55854 3.60414 -0.003437 0.002906 0.003800
14.79559 9.98222 3.60061 0.005171 -0.001309 0.001942
14.83832 6.40254 7.47085 0.002347 0.000469 0.000142
10.26118 5.42988 7.96507 0.008692 -0.003449 -0.007846
13.84142 5.42996 10.14226 0.002481 -0.000733 0.001565
12.90067 9.94534 10.26834 0.001632 0.009064 -0.001355
17.40760 10.25314 11.57387 0.007916 0.001747 -0.001090
14.84553 10.65634 12.01294 -0.008971 0.002347 -0.007072
12.09160 6.31793 15.56215 0.002621 0.008454 0.007870
13.66330 11.76838 1.50243 -0.003967 -0.004681 -0.001284
15.90808 14.97969 5.66759 0.000272 0.002284 -0.000783
12.90234 14.38066 1.10662 0.000897 0.004716 0.003365
17.39979 15.79595 3.12260 -0.000035 -0.000693 -0.003853
14.24465 13.87010 7.98683 0.004435 0.001225 -0.001499
11.50975 12.98027 8.22780 -0.001611 -0.004533 0.004599
13.37751 12.44417 10.26044 -0.002393 0.002556 -0.002898
15.76289 14.59733 14.23402 -0.000079 0.002788 -0.001845
17.35248 15.55367 12.27553 0.007372 0.000634 -0.004933
11.51892 12.39014 17.28946 -0.006722 -0.004580 0.010079
2.14782 0.44560 2.19550 -0.001336 0.001619 -0.001287
3.29477 2.11300 4.94555 -0.002984 0.000735 0.005018
2.45654 5.15830 5.71352 -0.002502 0.000790 0.003409
17.13665 1.28635 8.55333 -0.000158 0.000284 -0.002856
2.05496 17.16622 9.63831 -0.001940 -0.001027 0.001226
2.76007 4.61458 14.97268 0.001163 -0.005025 -0.002125
5.82104 5.64963 12.65472 0.003029 0.001387 0.000260
1.99867 2.73895 15.76239 0.003964 -0.001378 -0.004245
16.62702 0.41219 17.23014 -0.000716 -0.004106 -0.000573
0.53299 8.97932 0.15968 -0.004959 0.002525 0.001026
6.28070 9.99466 4.05905 0.003355 -0.002487 0.002253
2.80484 10.34140 2.60493 -0.001206 -0.003265 0.000376
5.85876 7.59725 14.24081 -0.003744 0.006390 0.004018
2.33378 8.07412 16.06384 0.001780 0.000061 -0.000941
0.72196 11.42800 1.39191 0.000976 -0.003619 -0.000720
4.17641 17.36384 8.00554 -0.003358 -0.005000 0.002321
0.17664 14.81238 7.80592 0.000619 -0.002557 0.000215
5.28314 15.15948 14.98492 -0.000956 -0.001733 0.001416
1.99589 13.21868 11.02572 0.002320 0.001362 -0.000649
4.90269 16.46159 10.85427 0.004479 0.000273 -0.001430
11.44760 2.27402 4.62061 0.000667 -0.002892 -0.002907
6.42001 2.18281 1.50214 -0.002804 -0.000670 0.002000
11.20298 6.44871 5.00937 -0.000817 -0.001844 0.000015
8.23943 2.94593 3.71752 0.000610 -0.002839 -0.000998
9.07830 3.43667 7.86385 -0.000043 0.003316 -0.003387
8.13841 17.45818 9.05432 0.000917 -0.000264 0.001307
11.09062 4.59939 10.31069 -0.000191 -0.003809 0.001861
8.29143 2.75175 15.42638 -0.001276 0.002550 0.000578
8.82941 17.22992 17.22214 0.003730 0.000581 0.001250
7.50840 7.62286 6.62087 -0.001974 -0.006112 -0.004634
4.60511 5.74329 8.41778 -0.001089 -0.000960 0.002169
12.92668 11.75537 13.63632 -0.004623 0.005420 0.000031
8.02117 10.55523 12.10517 -0.000399 0.001701 -0.003467
8.67556 7.71636 17.49570 0.001507 0.001517 0.005268
11.47875 15.24589 6.91703 0.002294 0.002620 0.001879
9.35972 16.97903 6.56192 -0.002474 0.000726 -0.000859
11.03713 17.07922 2.67792 -0.002411 0.000545 -0.003403
7.42775 12.08916 10.09180 0.000253 -0.003801 -0.001096
7.92017 14.83580 12.09082 -0.004857 -0.000149 -0.002916
8.50905 1.48718 11.99359 0.000226 0.003648 0.002641
13.83892 16.58967 17.12637 -0.002347 0.001269 -0.001562
14.18064 2.16404 1.76300 -0.002192 0.000135 -0.000567
0.22637 2.85420 3.74771 0.006218 0.004503 0.006387
13.55731 4.46328 4.56374 0.001610 0.001290 0.004365
13.93368 3.48067 13.12140 0.004127 -0.004540 0.000661
14.29477 4.78199 0.25086 -0.000373 -0.003614 0.001453
12.05112 9.01860 17.04503 -0.006354 -0.007838 -0.001422
16.27694 10.80430 6.52497 -0.002935 -0.003844 0.002921
16.72250 7.84092 12.70809 -0.002404 0.005709 -0.003028
0.08131 12.14367 13.72814 0.000553 0.001953 -0.006196
15.18747 8.06134 16.77823 -0.000139 -0.007670 -0.000006
15.33129 0.80027 4.23469 0.002664 0.000241 -0.000930
15.22283 14.74953 2.39790 -0.000489 -0.002101 0.000841
11.52991 14.60593 10.60396 0.000221 0.000564 0.000676
14.54913 0.08259 13.94141 -0.001822 0.002133 -0.001137
13.64918 15.17179 12.57877 0.003317 -0.004144 -0.001231
14.26990 11.73639 16.04700 0.003676 -0.004721 -0.001898
2.83011 17.00291 0.89614 -0.001932 0.000021 -0.002883
5.01762 2.19884 4.72481 -0.003181 -0.002481 -0.003058
2.72197 6.40768 4.52960 0.002672 0.004741 0.000475
0.61592 0.85326 7.17988 0.000302 -0.000995 -0.001955
1.05804 0.47662 10.87149 -0.000115 -0.003022 -0.004608
2.72869 6.02833 13.97220 -0.000222 -0.004544 0.000615
6.27365 4.07474 13.21275 -0.001203 0.004525 0.003415
3.39789 2.54642 16.78232 0.000253 0.000559 -0.005762
0.26647 0.03376 15.97352 -0.002805 0.008988 0.000628
16.86896 8.04953 1.06168 -0.000793 -0.002211 0.002326
5.26691 11.21282 3.35522 -0.006982 -0.000456 -0.001547
1.79651 10.63408 3.97172 0.000907 -0.001597 -0.000046
4.24367 8.25477 13.91418 -0.002399 0.000158 0.001231
3.20146 7.72932 0.04071 0.002423 -0.002997 0.001179
17.29565 11.52683 2.88643 0.002811 0.002774 -0.000928
5.09458 17.34903 6.48077 -0.004232 -0.006132 0.002369
16.80060 13.95067 9.04167 0.000101 -0.000156 -0.003031
5.65314 14.35380 13.49055 0.003803 0.000525 0.004290
2.85103 14.37043 10.06567 0.000622 0.003595 -0.000647
4.88020 0.46410 11.72901 0.002961 0.003930 0.005388
11.82432 3.49932 5.78478 -0.001019 0.005776 0.003309
6.33916 3.40343 0.25044 0.001036 0.003280 0.001060
9.59394 6.71839 4.41200 -0.005564 0.003377 -0.000902
7.91802 4.38505 4.66043 -0.001945 -0.007372 0.005904
8.23543 2.62518 6.58554 -0.000182 -0.003793 -0.000362
6.41431 17.32071 8.88054 -0.000805 0.002495 0.004554
11.14557 3.00954 10.98712 -0.004958 0.000619 -0.002016
9.36027 3.86210 16.23230 0.001313 0.005087 0.003292
7.53966 17.41529 0.94072 -0.001754 -0.006316 0.000537
8.48774 8.36338 7.84778 0.002593 0.001586 0.001572
5.72768 5.64505 7.08615 0.001253 -0.000565 0.002278
11.53162 12.14308 12.66419 0.002995 0.005388 0.002419
7.77778 8.79967 12.01567 0.002688 0.000474 0.000200
7.67148 7.97660 16.05599 0.002686 0.006277 0.004358
11.96712 14.11387 5.69832 -0.001077 0.000975 -0.005728
9.20674 0.45352 5.13285 0.002456 0.001641 0.000320
12.42086 17.27854 3.71166 0.000404 -0.000868 0.000214
5.72984 12.20671 9.71226 -0.001743 -0.002360 -0.001606
7.06651 14.59485 10.54611 -0.005961 0.005428 0.002208
8.18003 0.43236 13.34917 0.002419 0.002117 0.001860
12.13433 16.79403 17.35819 0.000759 -0.000880 -0.001020
12.47800 1.85419 1.86970 0.002405 -0.001387 0.001754
16.61133 3.22326 2.47663 0.000636 -0.003403 -0.003085
14.18380 5.80672 3.64923 -0.004611 -0.002055 0.002722
14.87276 2.50739 12.03337 -0.001791 0.000358 0.003419
14.23243 6.19147 1.27631 0.000503 -0.000374 0.002818
12.93327 8.58137 1.02753 0.006640 -0.004228 0.004490
0.31818 10.15222 5.96061 0.001073 0.000862 -0.003768
0.23893 8.66414 13.84372 -0.002941 0.002799 0.000621
17.08408 11.06555 14.99139 0.003475 0.004034 -0.002460
14.24371 8.22849 15.33189 -0.003152 -0.000060 -0.000445
17.03243 0.72423 4.52831 -0.000089 -0.000211 -0.001498
14.06257 14.70897 3.69175 0.004326 -0.001274 -0.000369
11.55248 15.52990 9.11606 0.003557 0.000968 -0.000567
15.79992 0.71375 12.92180 -0.004373 -0.000581 0.002663
14.66771 14.92743 11.20480 0.007267 0.003462 -0.006236
13.59723 13.22883 15.45681 0.002307 0.003641 -0.001729
0.28893 16.96969 9.61776 0.001387 0.002556 0.003396
5.14861 8.79609 15.34428 0.000253 0.002339 0.005577
16.57887 10.76457 1.44815 -0.000068 -0.003869 -0.003564
3.32280 17.43531 6.45000 -0.002076 -0.001810 -0.001937
7.22345 0.33037 16.74849 -0.002761 0.002054 0.002925
8.80270 9.61454 10.81195 0.001716 0.001990 -0.000347
8.32656 6.35754 16.39008 0.000320 -0.004985 0.004691
8.73549 15.20213 10.55252 -0.003134 -0.000233 -0.007586
11.35757 7.84337 0.68199 0.000606 0.002635 -0.007414
17.07689 11.54135 5.11708 0.002882 -0.001931 0.008975
1.05898 4.30352 7.32607 0.005446 0.001668 -0.000819
4.03509 12.56543 11.20951 0.007374 -0.001451 0.004051
2.98241 12.61908 2.99845 0.000228 0.000009 -0.001555
13.02951 6.77394 13.23542 -0.002856 0.001043 0.003807
9.81405 10.04557 13.02717 0.003200 0.008028 0.004817
14.38062 12.44509 3.83928 -0.000177 0.006526 -0.001642
15.29130 12.60070 6.14349 -0.001739 -0.001434 -0.005822
1.51212 12.17674 0.04632 -0.001062 -0.001493 -0.000295
5.20365 1.54821 15.21091 0.006890 0.001684 0.000545
6.79297 14.20253 8.32851 -0.004640 -0.002915 -0.003143
11.61515 7.96197 6.76612 0.001712 0.001481 -0.002049
10.25461 10.96603 6.21744 -0.006177 -0.004877 -0.000112
11.90891 11.26603 4.43245 0.002727 -0.001740 -0.003857
8.53540 10.78259 3.48001 -0.006153 0.004254 -0.009253
9.76681 9.93079 2.50215 -0.001245 -0.001686 0.004196
8.80784 11.23977 1.76494 0.003247 -0.005376 0.000033
14.97448 6.01037 8.35394 0.000827 0.004434 -0.007328
10.93413 4.83383 7.59381 -0.010158 0.006386 0.004714
13.14865 5.92816 9.67432 -0.000117 -0.007148 -0.003410
12.65000 8.06887 9.52187 -0.015957 0.005477 -0.000352
13.90414 8.18239 10.79823 -0.012361 0.008651 0.011063
12.16474 8.24325 11.23577 -0.001546 -0.012076 0.001886
5.27827 14.04824 2.20496 -0.003124 -0.003647 0.006792
10.20084 2.92381 1.69633 0.003953 0.000840 -0.005473
7.46833 14.00510 0.41146 -0.003290 -0.006456 0.010030
7.48179 15.39929 3.01468 0.002516 -0.000026 -0.005199
8.41010 16.93048 3.00754 -0.004674 0.003552 0.007724
8.99741 15.53505 2.05618 -0.002134 0.003684 -0.002754
-----------------------------------------------------------------------------------
total drift: -0.029919 -0.111232 -0.093030
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2227.0986750072 eV
energy without entropy= -2227.0986750072 energy(sigma->0) = -2227.09867501
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| Linear response in principle supports LREAL = Auto (or |
| LREAL=.TRUE.). However, in some cases we have found that the |
| real-space projection is not sufficiently accurate. |
| I strongly recommend that you switch it off by setting |
| LREAL=.FALSE. |
| |
-----------------------------------------------------------------------------
Found 1104 degrees of freedom:
----------------------------------------------
directions for atom 1: z
directions for atom 2: z
directions for atom 3: z
directions for atom 4: z
directions for atom 5: z
directions for atom 6: z
directions for atom 7: z
directions for atom 8: z
directions for atom 9: z
directions for atom 10: z
directions for atom 11: z
directions for atom 12: z
directions for atom 13: z
directions for atom 14: z
directions for atom 15: z
directions for atom 16: z
directions for atom 17: z
directions for atom 18: z
directions for atom 19: z
directions for atom 20: z
directions for atom 21: z
directions for atom 22: z
directions for atom 23: z
directions for atom 24: z
directions for atom 25: z
directions for atom 26: z
directions for atom 27: z
directions for atom 28: z
directions for atom 29: z
directions for atom 30: z
directions for atom 31: z
directions for atom 32: z
directions for atom 33: z
directions for atom 34: z
directions for atom 35: z
directions for atom 36: z
directions for atom 37: z
directions for atom 38: z
directions for atom 39: z
directions for atom 40: z
directions for atom 41: z
directions for atom 42: z
directions for atom 43: z
directions for atom 44: z
directions for atom 45: z
directions for atom 46: z
directions for atom 47: z
directions for atom 48: z
directions for atom 49: z
directions for atom 50: z
directions for atom 51: z
directions for atom 52: z
directions for atom 53: z
directions for atom 54: z
directions for atom 55: z
directions for atom 56: z
directions for atom 57: z
directions for atom 58: z
directions for atom 59: z
directions for atom 60: z
directions for atom 61: z
directions for atom 62: z
directions for atom 63: z
directions for atom 64: z
directions for atom 65: z
directions for atom 66: z
directions for atom 67: z
directions for atom 68: z
directions for atom 69: z
directions for atom 70: z
directions for atom 71: z
directions for atom 72: z
directions for atom 73: z
directions for atom 74: z
directions for atom 75: z
directions for atom 76: z
directions for atom 77: z
directions for atom 78: z
directions for atom 79: z
directions for atom 80: z
directions for atom 81: z
directions for atom 82: z
directions for atom 83: z
directions for atom 84: z
directions for atom 85: z
directions for atom 86: z
directions for atom 87: z
directions for atom 88: z
directions for atom 89: z
directions for atom 90: z
directions for atom 91: z
directions for atom 92: z
directions for atom 93: z
directions for atom 94: z
directions for atom 95: z
directions for atom 96: z
directions for atom 97: z
directions for atom 98: z
directions for atom 99: z
directions for atom 100: z
directions for atom 101: z
directions for atom 102: z
directions for atom 103: z
directions for atom 104: z
directions for atom 105: z
directions for atom 106: z
directions for atom 107: z
directions for atom 108: z
directions for atom 109: z
directions for atom 110: z
directions for atom 111: z
directions for atom 112: z
directions for atom 113: z
directions for atom 114: z
directions for atom 115: z
directions for atom 116: z
directions for atom 117: z
directions for atom 118: z
directions for atom 119: z
directions for atom 120: z
directions for atom 121: z
directions for atom 122: z
directions for atom 123: z
directions for atom 124: z
directions for atom 125: z
directions for atom 126: z
directions for atom 127: z
directions for atom 128: z
directions for atom 129: z
directions for atom 130: z
directions for atom 131: z
directions for atom 132: z
directions for atom 133: z
directions for atom 134: z
directions for atom 135: z
directions for atom 136: z
directions for atom 137: z
directions for atom 138: z
directions for atom 139: z
directions for atom 140: z
directions for atom 141: z
directions for atom 142: z
directions for atom 143: z
directions for atom 144: z
directions for atom 145: z
directions for atom 146: z
directions for atom 147: z
directions for atom 148: z
directions for atom 149: z
directions for atom 150: z
directions for atom 151: z
directions for atom 152: z
directions for atom 153: z
directions for atom 154: z
directions for atom 155: z
directions for atom 156: z
directions for atom 157: z
directions for atom 158: z
directions for atom 159: z
directions for atom 160: z
directions for atom 161: z
directions for atom 162: z
directions for atom 163: z
directions for atom 164: z
directions for atom 165: z
directions for atom 166: z
directions for atom 167: z
directions for atom 168: z
directions for atom 169: z
directions for atom 170: z
directions for atom 171: z
directions for atom 172: z
directions for atom 173: z
directions for atom 174: z
directions for atom 175: z
directions for atom 176: z
directions for atom 177: z
directions for atom 178: z
directions for atom 179: z
directions for atom 180: z
directions for atom 181: z
directions for atom 182: z
directions for atom 183: z
directions for atom 184: z
directions for atom 185: z
directions for atom 186: z
directions for atom 187: z
directions for atom 188: z
directions for atom 189: z
directions for atom 190: z
directions for atom 191: z
directions for atom 192: z
directions for atom 193: z
directions for atom 194: z
directions for atom 195: z
directions for atom 196: z
directions for atom 197: z
directions for atom 198: z
directions for atom 199: z
directions for atom 200: z
directions for atom 201: z
directions for atom 202: z
directions for atom 203: z
directions for atom 204: z
directions for atom 205: z
directions for atom 206: z
directions for atom 207: z
directions for atom 208: z
directions for atom 209: z
directions for atom 210: z
directions for atom 211: z
directions for atom 212: z
directions for atom 213: z
directions for atom 214: z
directions for atom 215: z
directions for atom 216: z
directions for atom 217: z
directions for atom 218: z
directions for atom 219: z
directions for atom 220: z
directions for atom 221: z
directions for atom 222: z
directions for atom 223: z
directions for atom 224: z
directions for atom 225: z
directions for atom 226: z
directions for atom 227: z
directions for atom 228: z
directions for atom 229: z
directions for atom 230: z
directions for atom 231: z
directions for atom 232: z
directions for atom 233: z
directions for atom 234: z
directions for atom 235: z
directions for atom 236: z
directions for atom 237: z
directions for atom 238: z
directions for atom 239: z
directions for atom 240: z
directions for atom 241: z
directions for atom 242: z
directions for atom 243: z
directions for atom 244: z
directions for atom 245: z
directions for atom 246: z
directions for atom 247: z
directions for atom 248: z
directions for atom 249: z
directions for atom 250: z
directions for atom 251: z
directions for atom 252: z
directions for atom 253: z
directions for atom 254: z
directions for atom 255: z
directions for atom 256: z
directions for atom 257: z
directions for atom 258: z
directions for atom 259: z
directions for atom 260: z
directions for atom 261: z
directions for atom 262: z
directions for atom 263: z
directions for atom 264: z
directions for atom 265: z
directions for atom 266: z
directions for atom 267: z
directions for atom 268: z
directions for atom 269: z
directions for atom 270: z
directions for atom 271: z
directions for atom 272: z
directions for atom 273: z
directions for atom 274: z
directions for atom 275: z
directions for atom 276: z
directions for atom 277: z
directions for atom 278: z
directions for atom 279: z
directions for atom 280: z
directions for atom 281: z
directions for atom 282: z
directions for atom 283: z
directions for atom 284: z
directions for atom 285: z
directions for atom 286: z
directions for atom 287: z
directions for atom 288: z
directions for atom 289: z
directions for atom 290: z
directions for atom 291: z
directions for atom 292: z
directions for atom 293: z
directions for atom 294: z
directions for atom 295: z
directions for atom 296: z
directions for atom 297: z
directions for atom 298: z
directions for atom 299: z
directions for atom 300: z
directions for atom 301: z
directions for atom 302: z
directions for atom 303: z
directions for atom 304: z
directions for atom 305: z
directions for atom 306: z
directions for atom 307: z
directions for atom 308: z
directions for atom 309: z
directions for atom 310: z
directions for atom 311: z
directions for atom 312: z
directions for atom 313: z
directions for atom 314: z
directions for atom 315: z
directions for atom 316: z
directions for atom 317: z
directions for atom 318: z
directions for atom 319: z
directions for atom 320: z
directions for atom 321: z
directions for atom 322: z
directions for atom 323: z
directions for atom 324: z
directions for atom 325: z
directions for atom 326: z
directions for atom 327: z
directions for atom 328: z
directions for atom 329: z
directions for atom 330: z
directions for atom 331: z
directions for atom 332: z
directions for atom 333: z
directions for atom 334: z
directions for atom 335: z
directions for atom 336: z
directions for atom 337: z
directions for atom 338: z
directions for atom 339: z
directions for atom 340: z
directions for atom 341: z
directions for atom 342: z
directions for atom 343: z
directions for atom 344: z
directions for atom 345: z
directions for atom 346: z
directions for atom 347: z
directions for atom 348: z
directions for atom 349: z
directions for atom 350: z
directions for atom 351: z
directions for atom 352: z
directions for atom 353: z
directions for atom 354: z
directions for atom 355: z
directions for atom 356: z
directions for atom 357: z
directions for atom 358: z
directions for atom 359: z
directions for atom 360: z
directions for atom 361: z
directions for atom 362: z
directions for atom 363: z
directions for atom 364: z
directions for atom 365: z
directions for atom 366: z
directions for atom 367: z
directions for atom 368: z
Linear response reoptimize wavefunctions
Linear response G [H, r] |phi>, progress :
Direction: 1
----------------------------------------- Iteration 1( 1) ---------------------------------------
free energy TOTEN = -5035.46923731 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 2) ---------------------------------------
free energy TOTEN = -4321.83505281 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 3) ---------------------------------------
free energy TOTEN = -4329.61375277 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 4) ---------------------------------------
free energy TOTEN = -4330.19382016 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 5) ---------------------------------------
free energy TOTEN = -4330.21671636 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 6) ---------------------------------------
free energy TOTEN = -4330.21913501 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 7) ---------------------------------------
free energy TOTEN = -4330.21946201 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 8) ---------------------------------------
free energy TOTEN = -4330.21946521 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 9) ---------------------------------------
free energy TOTEN = -4330.21944727 eV
---------------------------------------------------
----------------------------------------- Iteration 1( 10) ---------------------------------------
free energy TOTEN = -4330.21944743 eV
---------------------------------------------------
------------------------ aborting loop because EDIFF is reached ----------------------------------------
--------------------------------------------------------------------------------------------------------
Linear response G [H, r] |phi>, progress :
Direction: 2
----------------------------------------- Iteration 2( 1) ---------------------------------------
free energy TOTEN = -5055.75362717 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 2) ---------------------------------------
free energy TOTEN = -4323.28383715 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 3) ---------------------------------------
free energy TOTEN = -4331.98317919 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 4) ---------------------------------------
free energy TOTEN = -4332.59216393 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 5) ---------------------------------------
free energy TOTEN = -4332.61632953 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 6) ---------------------------------------
free energy TOTEN = -4332.61874199 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 7) ---------------------------------------
free energy TOTEN = -4332.61908014 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 8) ---------------------------------------
free energy TOTEN = -4332.61912749 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 9) ---------------------------------------
free energy TOTEN = -4332.61914869 eV
---------------------------------------------------
----------------------------------------- Iteration 2( 10) ---------------------------------------
free energy TOTEN = -4332.61913774 eV
---------------------------------------------------
------------------------ aborting loop because EDIFF is reached ----------------------------------------
--------------------------------------------------------------------------------------------------------
Linear response G [H, r] |phi>, progress :
Direction: 3
----------------------------------------- Iteration 3( 1) ---------------------------------------
free energy TOTEN = -5059.29283739 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 2) ---------------------------------------
free energy TOTEN = -4322.21643659 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 3) ---------------------------------------
free energy TOTEN = -4329.28868773 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 4) ---------------------------------------
free energy TOTEN = -4329.83309035 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 5) ---------------------------------------
free energy TOTEN = -4329.85417778 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 6) ---------------------------------------
free energy TOTEN = -4329.85627300 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 7) ---------------------------------------
free energy TOTEN = -4329.85648520 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 8) ---------------------------------------
free energy TOTEN = -4329.85646676 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 9) ---------------------------------------
free energy TOTEN = -4329.85648372 eV
---------------------------------------------------
----------------------------------------- Iteration 3( 10) ---------------------------------------
free energy TOTEN = -4329.85648763 eV
---------------------------------------------------
------------------------ aborting loop because EDIFF is reached ----------------------------------------
--------------------------------------------------------------------------------------------------------
Linear response to external field (no local field effect), progress :
Direction: 1
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 1( 1) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.24900245
---------------------------------------------------
free energy TOTEN = -22.24900245 eV
energy without entropy = -22.24900245
----------------------------------------- Iteration 1( 2) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.96870226
---------------------------------------------------
free energy TOTEN = -22.96870226 eV
energy without entropy = -22.96870226
----------------------------------------- Iteration 1( 3) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.97770465
---------------------------------------------------
free energy TOTEN = -22.97770465 eV
energy without entropy = -22.97770465
----------------------------------------- Iteration 1( 4) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.97831238
---------------------------------------------------
free energy TOTEN = -22.97831238 eV
energy without entropy = -22.97831238
----------------------------------------- Iteration 1( 5) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.97834641
---------------------------------------------------
free energy TOTEN = -22.97834641 eV
energy without entropy = -22.97834641
----------------------------------------- Iteration 1( 6) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.97834970
---------------------------------------------------
free energy TOTEN = -22.97834970 eV
energy without entropy = -22.97834970
------------------------ aborting loop because EDIFF is reached ----------------------------------------
change of polarisation eV/A/(eV/A) component 1 : 45.957 -0.193 -0.528
dielectric tensor component 1 : 2.552 -0.007 -0.018
--------------------------------------------------------------------------------------------------------
Linear response to external field (no local field effect), progress :
Direction: 2
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 2( 1) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -21.45452982
---------------------------------------------------
free energy TOTEN = -21.45452982 eV
energy without entropy = -21.45452982
----------------------------------------- Iteration 2( 2) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.07173984
---------------------------------------------------
free energy TOTEN = -22.07173984 eV
energy without entropy = -22.07173984
----------------------------------------- Iteration 2( 3) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.08086925
---------------------------------------------------
free energy TOTEN = -22.08086925 eV
energy without entropy = -22.08086925
----------------------------------------- Iteration 2( 4) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.08147932
---------------------------------------------------
free energy TOTEN = -22.08147932 eV
energy without entropy = -22.08147932
----------------------------------------- Iteration 2( 5) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.08151368
---------------------------------------------------
free energy TOTEN = -22.08151368 eV
energy without entropy = -22.08151368
----------------------------------------- Iteration 2( 6) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.08151718
---------------------------------------------------
free energy TOTEN = -22.08151718 eV
energy without entropy = -22.08151718
------------------------ aborting loop because EDIFF is reached ----------------------------------------
change of polarisation eV/A/(eV/A) component 2 : -0.193 44.163 -0.243
dielectric tensor component 2 : -0.007 2.491 -0.008
--------------------------------------------------------------------------------------------------------
Linear response to external field (no local field effect), progress :
Direction: 3
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 3( 1) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.51980393
---------------------------------------------------
free energy TOTEN = -22.51980393 eV
energy without entropy = -22.51980393
----------------------------------------- Iteration 3( 2) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -23.21731578
---------------------------------------------------
free energy TOTEN = -23.21731578 eV
energy without entropy = -23.21731578
----------------------------------------- Iteration 3( 3) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -23.22665615
---------------------------------------------------
free energy TOTEN = -23.22665615 eV
energy without entropy = -23.22665615
----------------------------------------- Iteration 3( 4) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -23.22727105
---------------------------------------------------
free energy TOTEN = -23.22727105 eV
energy without entropy = -23.22727105
----------------------------------------- Iteration 3( 5) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -23.22730501
---------------------------------------------------
free energy TOTEN = -23.22730501 eV
energy without entropy = -23.22730501
----------------------------------------- Iteration 3( 6) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -23.22730852
---------------------------------------------------
free energy TOTEN = -23.22730852 eV
energy without entropy = -23.22730852
------------------------ aborting loop because EDIFF is reached ----------------------------------------
change of polarisation eV/A/(eV/A) component 3 : -0.528 -0.243 46.454
dielectric tensor component 3 : -0.018 -0.008 2.568
--------------------------------------------------------------------------------------------------------
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
HEAD OF MICROSCOPIC STATIC DIELECTRIC TENSOR (INDEPENDENT PARTICLE, excluding Hartree and local field effects)
------------------------------------------------------
2.551670 -0.006504 -0.017825
-0.006504 2.491109 -0.008215
-0.017826 -0.008215 2.568482
------------------------------------------------------
--------------------------------------------------------------------------------------------------------
Linear response to external field, progress :
Direction: 1
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 1( 1) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.24900245
---------------------------------------------------
free energy TOTEN = -22.24900245 eV
energy without entropy = -22.24900245
----------------------------------------- Iteration 1( 2) ---------------------------------------
Broyden mixing:
rms(total) = 0.84583E+00 rms(broyden)= 0.84456E+00
rms(prec ) = 0.97517E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.96870226
---------------------------------------------------
free energy TOTEN = -22.96870226 eV
energy without entropy = -22.96870226
----------------------------------------- Iteration 1( 3) ---------------------------------------
Broyden mixing:
rms(total) = 0.45974E+00 rms(broyden)= 0.45968E+00
rms(prec ) = 0.53285E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7668
1.7668
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.78723933
-V(xc)+E(xc) XCENC = 3.11364991
PAW double counting = 2.02813870 -2.02899240
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -20.35302088
---------------------------------------------------
free energy TOTEN = -18.02746399 eV
energy without entropy = -18.02746399
----------------------------------------- Iteration 1( 4) ---------------------------------------
Broyden mixing:
rms(total) = 0.12924E+00 rms(broyden)= 0.12916E+00
rms(prec ) = 0.15689E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5951
1.0469 2.1432
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -2.97755830
-V(xc)+E(xc) XCENC = 12.65769969
PAW double counting = 7.24445154 -7.24188131
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.56214451
---------------------------------------------------
free energy TOTEN = -8.87943289 eV
energy without entropy = -8.87943289
----------------------------------------- Iteration 1( 5) ---------------------------------------
Broyden mixing:
rms(total) = 0.65234E-01 rms(broyden)= 0.65189E-01
rms(prec ) = 0.81024E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7764
0.9137 2.2078 2.2078
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.73720582
-V(xc)+E(xc) XCENC = 16.53985530
PAW double counting = 8.56847013 -8.56396880
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.25957111
---------------------------------------------------
free energy TOTEN = -5.45242031 eV
energy without entropy = -5.45242031
----------------------------------------- Iteration 1( 6) ---------------------------------------
Broyden mixing:
rms(total) = 0.17672E-01 rms(broyden)= 0.17655E-01
rms(prec ) = 0.30474E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6509
2.2833 2.2833 0.8737 1.1631
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.88134733
-V(xc)+E(xc) XCENC = 18.04529233
PAW double counting = 8.33450691 -8.32879695
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.29893068
---------------------------------------------------
free energy TOTEN = -4.12927573 eV
energy without entropy = -4.12927573
----------------------------------------- Iteration 1( 7) ---------------------------------------
Broyden mixing:
rms(total) = 0.11555E-01 rms(broyden)= 0.11549E-01
rms(prec ) = 0.19586E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7449
2.6342 2.4907 1.7463 1.0133 0.8398
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.99239055
-V(xc)+E(xc) XCENC = 18.60539656
PAW double counting = 8.28504427 -8.27932811
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.25000173
---------------------------------------------------
free energy TOTEN = -3.63127957 eV
energy without entropy = -3.63127957
----------------------------------------- Iteration 1( 8) ---------------------------------------
Broyden mixing:
rms(total) = 0.46319E-02 rms(broyden)= 0.46232E-02
rms(prec ) = 0.81702E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8027
3.4571 2.4615 1.7669 1.3289 0.8461 0.9558
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03778464
-V(xc)+E(xc) XCENC = 18.82102149
PAW double counting = 8.00817219 -8.00265126
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.22143342
---------------------------------------------------
free energy TOTEN = -3.43267563 eV
energy without entropy = -3.43267563
----------------------------------------- Iteration 1( 9) ---------------------------------------
Broyden mixing:
rms(total) = 0.29844E-02 rms(broyden)= 0.29804E-02
rms(prec ) = 0.44544E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8815
4.1049 2.4630 2.1745 1.5637 1.1328 0.8783 0.8535
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03945029
-V(xc)+E(xc) XCENC = 18.81900323
PAW double counting = 7.94165524 -7.93616753
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.21637483
---------------------------------------------------
free energy TOTEN = -3.43133418 eV
energy without entropy = -3.43133418
----------------------------------------- Iteration 1( 10) ---------------------------------------
Broyden mixing:
rms(total) = 0.12021E-02 rms(broyden)= 0.11996E-02
rms(prec ) = 0.18363E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9471
4.6868 2.7963 2.3623 1.7048 1.2919 1.0228 0.8561 0.8561
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.04100414
-V(xc)+E(xc) XCENC = 18.77962787
PAW double counting = 7.96519263 -7.95971578
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20885205
---------------------------------------------------
free energy TOTEN = -3.46475147 eV
energy without entropy = -3.46475147
----------------------------------------- Iteration 1( 11) ---------------------------------------
Broyden mixing:
rms(total) = 0.50683E-03 rms(broyden)= 0.50553E-03
rms(prec ) = 0.73434E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9401
5.0224 3.0292 2.3684 1.8284 1.4561 1.0974 0.9725 0.8584 0.8280
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03759847
-V(xc)+E(xc) XCENC = 18.74439658
PAW double counting = 7.98597563 -7.98049041
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20780203
---------------------------------------------------
free energy TOTEN = -3.49551870 eV
energy without entropy = -3.49551870
----------------------------------------- Iteration 1( 12) ---------------------------------------
Broyden mixing:
rms(total) = 0.26027E-03 rms(broyden)= 0.25987E-03
rms(prec ) = 0.37173E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9686
5.3284 3.2120 2.4064 2.0846 1.6980 1.2515 1.0971 0.9275 0.8520 0.8287
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03596935
-V(xc)+E(xc) XCENC = 18.73220730
PAW double counting = 7.99292913 -7.98743988
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20812430
---------------------------------------------------
free energy TOTEN = -3.50639711 eV
energy without entropy = -3.50639711
----------------------------------------- Iteration 1( 13) ---------------------------------------
Broyden mixing:
rms(total) = 0.11363E-03 rms(broyden)= 0.11347E-03
rms(prec ) = 0.16878E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9343
5.3429 3.3910 2.5204 2.3233 1.7337 1.3661 1.0276 1.0276 0.9063 0.8474
0.7909
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03561399
-V(xc)+E(xc) XCENC = 18.72895324
PAW double counting = 7.99475283 -7.98926278
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20826600
---------------------------------------------------
free energy TOTEN = -3.50943670 eV
energy without entropy = -3.50943670
----------------------------------------- Iteration 1( 14) ---------------------------------------
Broyden mixing:
rms(total) = 0.62216E-04 rms(broyden)= 0.62149E-04
rms(prec ) = 0.94109E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9197
5.3665 3.5641 2.7414 2.3514 1.7911 1.5737 1.1555 1.1555 0.9553 0.8462
0.8462 0.6893
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03563250
-V(xc)+E(xc) XCENC = 18.72906947
PAW double counting = 7.99456609 -7.98907672
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20768461
---------------------------------------------------
free energy TOTEN = -3.50875826 eV
energy without entropy = -3.50875826
----------------------------------------- Iteration 1( 15) ---------------------------------------
Broyden mixing:
rms(total) = 0.32074E-04 rms(broyden)= 0.32034E-04
rms(prec ) = 0.48587E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9249
5.4782 3.7497 2.9436 2.3577 2.0604 1.7535 1.2119 1.1618 1.0327 0.9370
0.8543 0.8388 0.6439
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03576805
-V(xc)+E(xc) XCENC = 18.72994285
PAW double counting = 7.99401031 -7.98852115
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20761628
---------------------------------------------------
free energy TOTEN = -3.50795232 eV
energy without entropy = -3.50795232
----------------------------------------- Iteration 1( 16) ---------------------------------------
Broyden mixing:
rms(total) = 0.18104E-04 rms(broyden)= 0.18077E-04
rms(prec ) = 0.25893E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9291
5.5152 3.9813 3.1125 2.4396 2.2769 1.7720 1.4571 1.1630 1.1365 0.9792
0.8826 0.8591 0.8250 0.6079
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03582607
-V(xc)+E(xc) XCENC = 18.73048863
PAW double counting = 7.99362099 -7.98813223
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20756571
---------------------------------------------------
free energy TOTEN = -3.50741439 eV
energy without entropy = -3.50741439
----------------------------------------- Iteration 1( 17) ---------------------------------------
Broyden mixing:
rms(total) = 0.10289E-04 rms(broyden)= 0.10267E-04
rms(prec ) = 0.13899E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9334
5.4928 4.3310 3.2728 2.6320 2.3330 1.7701 1.7701 1.1921 1.1921 1.0106
0.9468 0.8702 0.8425 0.7672 0.5774
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583886
-V(xc)+E(xc) XCENC = 18.73066970
PAW double counting = 7.99349706 -7.98800830
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20822993
---------------------------------------------------
free energy TOTEN = -3.50791032 eV
energy without entropy = -3.50791032
----------------------------------------- Iteration 1( 18) ---------------------------------------
Broyden mixing:
rms(total) = 0.51148E-05 rms(broyden)= 0.51016E-05
rms(prec ) = 0.68955E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9174
5.5341 4.5037 3.3411 2.7293 2.3287 1.9946 1.7597 1.3194 1.2255 1.0345
1.0345 0.9289 0.8432 0.8432 0.7019 0.5568
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583902
-V(xc)+E(xc) XCENC = 18.73069978
PAW double counting = 7.99351387 -7.98802503
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20784567
---------------------------------------------------
free energy TOTEN = -3.50749608 eV
energy without entropy = -3.50749608
----------------------------------------- Iteration 1( 19) ---------------------------------------
Broyden mixing:
rms(total) = 0.32650E-05 rms(broyden)= 0.32591E-05
rms(prec ) = 0.42163E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9025
5.5744 4.6783 3.4072 2.8278 2.2838 2.2480 1.7372 1.5784 1.1739 1.1739
0.9949 0.9651 0.8723 0.8493 0.7886 0.6501 0.5393
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583053
-V(xc)+E(xc) XCENC = 18.73065589
PAW double counting = 7.99355510 -7.98806603
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20796225
---------------------------------------------------
free energy TOTEN = -3.50764782 eV
energy without entropy = -3.50764782
----------------------------------------- Iteration 1( 20) ---------------------------------------
Broyden mixing:
rms(total) = 0.27244E-05 rms(broyden)= 0.27202E-05
rms(prec ) = 0.31617E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8727
5.5784 4.8065 3.4853 2.8901 2.3933 2.2858 1.8390 1.6375 1.2379 1.1486
0.9883 0.9883 0.9829 0.8460 0.8460 0.7104 0.5735 0.4700
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03582779
-V(xc)+E(xc) XCENC = 18.73063532
PAW double counting = 7.99357557 -7.98808652
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20806713
---------------------------------------------------
free energy TOTEN = -3.50777055 eV
energy without entropy = -3.50777055
----------------------------------------- Iteration 1( 21) ---------------------------------------
Broyden mixing:
rms(total) = 0.21687E-05 rms(broyden)= 0.21650E-05
rms(prec ) = 0.24071E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8377
5.6024 4.8988 3.5582 2.9667 2.4656 2.3441 1.8616 1.6838 1.2091 1.2091
1.0111 1.0111 0.9871 0.8530 0.8530 0.8021 0.6714 0.5506 0.3773
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583030
-V(xc)+E(xc) XCENC = 18.73063728
PAW double counting = 7.99358638 -7.98809688
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20805349
---------------------------------------------------
free energy TOTEN = -3.50775701 eV
energy without entropy = -3.50775701
----------------------------------------- Iteration 1( 22) ---------------------------------------
Broyden mixing:
rms(total) = 0.18097E-05 rms(broyden)= 0.18068E-05
rms(prec ) = 0.19553E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7784
5.6168 4.9100 3.5823 2.9729 2.4892 2.3440 1.8777 1.6778 1.2002 1.2002
0.9811 0.9811 0.9773 0.8439 0.8439 0.7472 0.7472 0.6912 0.5503 0.3339
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03582975
-V(xc)+E(xc) XCENC = 18.73063251
PAW double counting = 7.99358198 -7.98809305
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20782323
---------------------------------------------------
free energy TOTEN = -3.50753153 eV
energy without entropy = -3.50753153
----------------------------------------- Iteration 1( 23) ---------------------------------------
Broyden mixing:
rms(total) = 0.25665E-05 rms(broyden)= 0.25646E-05
rms(prec ) = 0.26871E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6990
5.6132 4.9098 3.5825 2.9731 2.4965 2.3392 1.8808 1.6824 1.2025 1.2025
0.9848 0.9848 0.9757 0.8435 0.8435 0.7398 0.7398 0.6895 0.5486 0.1258
0.3216
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583000
-V(xc)+E(xc) XCENC = 18.73063293
PAW double counting = 7.99357981 -7.98809063
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20848226
---------------------------------------------------
free energy TOTEN = -3.50819014 eV
energy without entropy = -3.50819014
----------------------------------------- Iteration 1( 24) ---------------------------------------
Broyden mixing:
rms(total) = 0.23696E-05 rms(broyden)= 0.23680E-05
rms(prec ) = 0.24852E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6451
5.5828 4.8938 3.5794 2.9742 2.4505 2.3359 1.8670 1.6702 0.6092 1.2016
1.2016 0.9852 0.9754 0.9754 0.8443 0.8443 0.8034 0.8034 0.6800 0.5486
0.0239 0.3424
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03582999
-V(xc)+E(xc) XCENC = 18.73063287
PAW double counting = 7.99357882 -7.98809033
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20796687
---------------------------------------------------
free energy TOTEN = -3.50767550 eV
energy without entropy = -3.50767550
----------------------------------------- Iteration 1( 25) ---------------------------------------
Broyden mixing:
rms(total) = 0.31680E-05 rms(broyden)= 0.31669E-05
rms(prec ) = 0.33221E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5927
5.5578 4.9043 3.5971 2.9744 2.5135 2.2992 1.8780 1.6738 0.5840 0.5840
1.2069 1.2069 1.0395 0.9631 0.9631 0.8473 0.8473 0.6943 0.6943 0.6925
0.5449 0.0325 0.3331
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03582994
-V(xc)+E(xc) XCENC = 18.73063281
PAW double counting = 7.99357967 -7.98809066
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20826686
---------------------------------------------------
free energy TOTEN = -3.50797498 eV
energy without entropy = -3.50797498
----------------------------------------- Iteration 1( 26) ---------------------------------------
Broyden mixing:
rms(total) = 0.34163E-05 rms(broyden)= 0.34155E-05
rms(prec ) = 0.35444E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5245
5.5578 4.9042 3.5972 2.9760 2.5103 2.2989 1.8766 1.6716 1.2031 1.2031
1.0453 0.9543 0.9543 0.8466 0.8466 0.6858 0.7004 0.7004 0.5461 0.2282
0.4568 0.4568 0.0330 0.3357
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583057
-V(xc)+E(xc) XCENC = 18.73063570
PAW double counting = 7.99358222 -7.98809297
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20812579
---------------------------------------------------
free energy TOTEN = -3.50783141 eV
energy without entropy = -3.50783141
----------------------------------------- Iteration 1( 27) ---------------------------------------
Broyden mixing:
rms(total) = 0.39489E-05 rms(broyden)= 0.39481E-05
rms(prec ) = 0.41156E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4801
5.5555 4.9072 3.6031 2.9865 2.5159 2.2952 1.8697 1.6838 0.6654 1.2097
1.2097 1.0404 0.9508 0.9508 0.8463 0.8463 0.7030 0.7030 0.6866 0.5418
0.4294 0.4294 0.0171 0.0331 0.3222
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583056
-V(xc)+E(xc) XCENC = 18.73063566
PAW double counting = 7.99358244 -7.98809331
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20830727
---------------------------------------------------
free energy TOTEN = -3.50801304 eV
energy without entropy = -3.50801304
----------------------------------------- Iteration 1( 28) ---------------------------------------
Broyden mixing:
rms(total) = 0.41729E-05 rms(broyden)= 0.41723E-05
rms(prec ) = 0.43287E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4390
5.5449 4.9274 3.6188 2.9959 2.5078 2.3063 1.8785 1.7113 1.2259 1.2259
0.5573 0.5573 0.9979 0.9979 0.9703 0.8459 0.8459 0.7077 0.5910 0.5910
0.5502 0.4504 0.4504 0.0249 0.0332 0.2996
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583047
-V(xc)+E(xc) XCENC = 18.73063552
PAW double counting = 7.99358237 -7.98809328
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20795652
---------------------------------------------------
free energy TOTEN = -3.50766237 eV
energy without entropy = -3.50766237
----------------------------------------- Iteration 1( 29) ---------------------------------------
Broyden mixing:
rms(total) = 0.47249E-05 rms(broyden)= 0.47243E-05
rms(prec ) = 0.48911E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3848
5.5445 4.9269 3.6201 2.9970 2.5114 2.3061 1.8819 1.7130 1.2279 1.2279
0.9972 0.9972 0.9742 0.8462 0.8462 0.4475 0.4475 0.7135 0.5952 0.5952
0.1860 0.5524 0.4473 0.4473 0.0243 0.0332 0.2820
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583044
-V(xc)+E(xc) XCENC = 18.73063535
PAW double counting = 7.99357853 -7.98808940
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20851700
---------------------------------------------------
free energy TOTEN = -3.50822297 eV
energy without entropy = -3.50822297
----------------------------------------- Iteration 1( 30) ---------------------------------------
Broyden mixing:
rms(total) = 0.46399E-05 rms(broyden)= 0.46394E-05
rms(prec ) = 0.48028E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3355
5.5445 4.9267 3.6197 2.9971 2.5105 2.3065 1.8809 1.7131 1.2275 1.2275
0.9969 0.9969 0.9732 0.8461 0.8461 0.4406 0.4406 0.7128 0.6062 0.6062
0.5525 0.4363 0.4363 0.1818 0.0360 0.0246 0.0332 0.2753
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583045
-V(xc)+E(xc) XCENC = 18.73063535
PAW double counting = 7.99357877 -7.98808952
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20797649
---------------------------------------------------
free energy TOTEN = -3.50768233 eV
energy without entropy = -3.50768233
----------------------------------------- Iteration 1( 31) ---------------------------------------
Broyden mixing:
rms(total) = 0.50872E-05 rms(broyden)= 0.50868E-05
rms(prec ) = 0.52748E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2938
5.5446 4.9264 3.6202 3.0010 2.5071 2.3073 1.8792 1.7143 1.2272 1.2272
0.9971 0.9971 0.9725 0.8461 0.8461 0.7122 0.6391 0.6391 0.5547 0.4467
0.4467 0.4195 0.4195 0.1553 0.1553 0.2565 0.0332 0.0042 0.0244
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -4.03583045
-V(xc)+E(xc) XCENC = 18.73063535
PAW double counting = 7.99357860 -7.98808892
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.20845526
---------------------------------------------------
free energy TOTEN = -3.50816068 eV
energy without entropy = -3.50816068
------------------------ aborting loop because EDIFF is reached ----------------------------------------
change of polarisation eV/A/(eV/A) component 1 : 39.950 -0.324 -0.583
dielectric tensor component 1 : 2.349 -0.011 -0.020
--------------------------------------------------------------------------------------------------------
PIEZOELECTRIC TENSOR FIELD DIRECTION 1 (e Angst)
-----------------------------------------------------------------------------
5.38264 1.53609 -3.53308 ( 0.58366 0.00045 -0.32384)
1.53610 0.57154 6.78399 ( 0.00045 0.29371 0.68198)
-3.53312 6.78393 -3.73557 ( -0.32384 0.68198 -0.11879)
PIEZOELECTRIC TENSOR FIELD DIRECTION 1 (C/m^2)
-----------------------------------------------------------------------------
0.01609 0.00459 -0.01056
0.00459 0.00171 0.02028
-0.01056 0.02028 -0.01117
POSITION DIRECTION 1 BORN EFFECTIVE CHARGE (rigid.aug. ionic)
-----------------------------------------------------------------------------------------
1.38315 1.35531 0.04630 2.35095 0.53825 -0.12458 ( 0.20399 4.00000)
4.30302 2.15352 7.05746 3.74603 -0.15720 0.20622 ( 0.19858 4.00000)
1.30883 4.06731 2.03161 3.21676 0.31279 0.24678 ( 0.18506 4.00000)
3.96992 4.32885 4.13194 3.69702 0.05165 0.07235 ( 0.19563 4.00000)
1.29275 3.05683 8.10201 3.08849 0.31761 -0.16809 ( 0.19991 4.00000)
3.79636 1.47547 14.70421 1.88188 -0.29753 -0.75426 ( 0.19978 4.00000)
1.24643 4.63551 10.86193 3.58246 0.02975 -0.20606 ( 0.17372 4.00000)
3.89005 4.20092 12.88287 3.19936 0.15838 0.43427 ( 0.19650 4.00000)
1.04482 6.69020 17.44020 2.87201 0.20269 0.50443 ( 0.19768 4.00000)
3.77370 7.04599 6.61024 2.78796 -0.49121 -0.21322 ( 0.19603 4.00000)
0.71312 9.21049 2.53845 2.44432 0.41472 -0.05275 ( 0.20867 4.00000)
3.86880 9.70388 4.59023 2.58877 -0.06302 0.19191 ( 0.19611 4.00000)
1.19399 7.29663 8.75952 3.29370 -0.00726 -0.16693 ( 0.17112 4.00000)
4.14925 6.52609 15.71477 2.60470 -0.30887 0.30356 ( 0.20783 4.00000)
1.16791 10.19708 10.50563 3.41089 0.17563 -0.23834 ( 0.17380 4.00000)
3.90202 11.30466 11.97145 3.31222 -0.18459 0.03826 ( 0.18914 4.00000)
1.41963 13.48240 16.88000 3.60247 -0.23728 -0.16117 ( 0.18917 4.00000)
3.89470 12.50036 6.39588 3.81263 -0.16381 -0.11384 ( 0.17420 4.00000)
1.24092 15.65995 2.03746 3.06550 -0.51206 -0.28730 ( 0.18621 4.00000)
3.45676 13.88732 3.60018 2.77081 -0.61323 0.36536 ( 0.19380 4.00000)
1.37686 12.90671 8.69683 3.01201 -0.52445 -0.34396 ( 0.19523 4.00000)
4.20896 12.98001 14.89140 3.55840 -0.47575 0.02165 ( 0.18454 4.00000)
1.28271 15.54574 11.35729 3.65004 0.07805 0.00772 ( 0.19837 4.00000)
4.02704 16.14416 13.12883 3.11536 0.48792 -0.22511 ( 0.19681 4.00000)
8.51844 2.13686 0.32759 2.34852 0.00700 -0.09394 ( 0.20911 4.00000)
10.42520 1.68659 6.72748 2.83085 -0.56997 0.33555 ( 0.20522 4.00000)
6.89192 4.41938 2.41726 3.24452 -0.78983 -0.16084 ( 0.19667 4.00000)
10.22536 4.35381 4.16682 2.96330 -0.08067 -0.84321 ( 0.20536 4.00000)
7.19238 2.15284 8.75827 3.16670 0.00199 0.04874 ( 0.19654 4.00000)
10.67141 2.29852 15.08728 2.89809 -0.17221 0.56526 ( 0.18925 4.00000)
7.24075 4.59797 11.01224 3.46709 -0.46664 0.21425 ( 0.18558 4.00000)
10.30176 4.56419 12.61212 3.40803 0.33475 0.43313 ( 0.18716 4.00000)
6.40057 6.85176 0.36515 2.72839 0.02788 0.64849 ( 0.19334 4.00000)
9.75325 6.62606 6.90745 2.43119 -0.30514 -0.23039 ( 0.20318 4.00000)
6.24007 9.67823 1.67645 2.51506 -0.14482 -0.69075 ( 0.19145 4.00000)
6.65558 7.06042 8.79421 2.54378 0.24272 0.04792 ( 0.19633 4.00000)
11.80692 6.94639 14.05727 2.21746 0.10356 0.80938 ( 0.19225 4.00000)
6.39955 9.97659 10.34026 2.57998 -0.34326 -0.58484 ( 0.19906 4.00000)
11.03265 10.16848 13.84914 2.01051 -0.06072 -0.51219 ( 0.20001 4.00000)
6.77345 12.10505 16.99256 4.10660 -0.11907 0.30167 ( 0.17805 4.00000)
10.32223 13.09442 6.99099 4.02905 0.35885 0.21736 ( 0.19011 4.00000)
10.59365 15.96480 4.77521 2.25485 0.27607 -0.43229 ( 0.20816 4.00000)
6.94250 12.79247 7.88185 4.21036 0.39819 0.18654 ( 0.19984 4.00000)
10.18654 12.31147 16.08279 4.48677 -0.04818 0.22886 ( 0.18769 4.00000)
7.13888 17.01345 11.20310 2.51133 0.27339 0.27138 ( 0.21345 4.00000)
10.37682 0.23169 12.64835 2.92628 -0.43368 -0.32138 ( 0.20669 4.00000)
13.24904 1.54346 17.14370 3.25177 -0.25941 -0.00073 ( 0.19678 4.00000)
15.89410 1.64185 6.44545 3.04270 0.06610 -0.25295 ( 0.19563 4.00000)
12.98857 4.28042 2.14546 3.02583 0.27697 -0.24844 ( 0.20533 4.00000)
15.96785 4.32998 4.48967 2.77772 -0.25455 0.08524 ( 0.19653 4.00000)
13.27097 1.52537 8.57426 3.72682 -0.02652 -0.28507 ( 0.17425 4.00000)
16.03461 1.53130 15.21659 2.86455 -0.34233 -0.10145 ( 0.19639 4.00000)
13.37701 3.97590 10.80799 2.67630 -0.10478 0.40760 ( 0.20020 4.00000)
16.23421 4.17555 13.11475 3.12470 0.50417 -0.45651 ( 0.18479 4.00000)
13.12188 6.75851 16.83328 2.34254 0.28251 0.14814 ( 0.20817 4.00000)
16.15350 6.82329 6.57280 2.84518 0.46335 0.48892 ( 0.17941 4.00000)
13.80451 11.28726 3.11364 2.92046 -0.67893 0.30424 ( 0.19250 4.00000)
16.01530 9.31599 4.57229 2.77419 -0.55271 0.00498 ( 0.19266 4.00000)
16.24774 6.95131 14.97400 2.78717 -0.37976 0.45615 ( 0.19642 4.00000)
13.37358 11.10317 11.33384 2.88650 -0.38701 0.27275 ( 0.19069 4.00000)
16.26481 10.28310 12.82929 3.07882 -0.34412 -0.18687 ( 0.19570 4.00000)
13.02958 12.87265 0.34345 3.02373 0.04707 0.14808 ( 0.18415 4.00000)
15.63587 13.81058 6.90598 3.04747 0.03908 -0.32032 ( 0.20092 4.00000)
13.11026 15.86276 1.91698 2.21503 -0.66227 -0.01634 ( 0.20397 4.00000)
16.04847 15.98249 4.25314 2.75812 0.29936 -0.29008 ( 0.19706 4.00000)
12.92950 13.50280 9.01948 3.47811 0.32085 -0.07908 ( 0.18527 4.00000)
16.03470 13.24150 15.21399 3.13181 0.23873 0.36145 ( 0.19643 4.00000)
13.00717 16.52927 10.76204 2.96452 -0.76576 -0.32167 ( 0.20180 4.00000)
15.92967 15.85673 13.13419 3.14161 -0.11908 -0.14550 ( 0.19511 4.00000)
1.86054 17.36365 1.29865 -0.65114 -0.00264 0.01543 ( -0.08886 4.00000)
4.17830 2.73136 5.21241 -0.67740 0.03315 -0.00763 ( -0.09089 4.00000)
3.26426 5.75851 5.24301 -0.70614 0.04738 -0.07075 ( -0.09070 4.00000)
17.49829 1.67854 7.58538 -1.18612 -0.33664 -0.33691 ( -0.09053 4.00000)
1.16532 17.05709 10.27678 -0.39565 0.04161 -0.02721 ( -0.09841 4.00000)
3.43296 5.28736 14.40974 -0.75263 -0.06160 0.06503 ( -0.09117 4.00000)
5.78979 4.58179 12.35127 -1.27527 -0.02339 0.36467 ( -0.08778 4.00000)
2.66622 1.96025 16.18884 -1.08201 -0.12126 0.60593 ( -0.09020 4.00000)
17.32027 0.89679 16.51550 -1.21541 -0.04043 -0.52635 ( -0.09063 4.00000)
0.46199 8.18893 0.93413 -0.76535 0.05820 0.07159 ( -0.09245 4.00000)
5.39231 10.11127 3.40660 -1.01764 -0.08180 0.52103 ( -0.08962 4.00000)
2.32066 9.80687 3.44943 -1.37148 -0.18677 -0.48293 ( -0.09034 4.00000)
4.91964 7.92130 14.71679 -0.47305 -0.05178 0.06496 ( -0.09786 4.00000)
2.68710 7.23238 16.69438 -1.31924 -0.02207 0.38783 ( -0.09397 4.00000)
0.01020 10.88204 2.02154 -0.52946 0.01837 -0.05456 ( -0.09799 4.00000)
4.21835 0.28129 6.98759 -0.43297 -0.01577 -0.04111 ( -0.09784 4.00000)
17.23783 13.81793 8.03064 -1.29535 0.24417 -0.28624 ( -0.08811 4.00000)
4.79582 14.66186 14.12172 -0.69721 -0.06956 0.05391 ( -0.09101 4.00000)
1.82404 14.00413 10.26937 -0.70557 0.03566 -0.15942 ( -0.08990 4.00000)
5.26768 16.92854 11.79676 -1.18137 -0.35246 0.28834 ( -0.08884 4.00000)
10.96027 2.96124 5.34122 -0.79046 0.08081 0.12676 ( -0.08959 4.00000)
6.97457 3.04582 1.08259 -0.92460 0.26889 0.22193 ( -0.09229 4.00000)
10.16898 6.05361 5.08582 -0.74648 0.13323 0.07634 ( -0.09115 4.00000)
8.34039 4.05066 3.68939 -1.35132 0.19294 -0.31010 ( -0.08880 4.00000)
8.74489 2.42632 7.55292 -1.25454 0.08050 0.36630 ( -0.08817 4.00000)
7.18775 0.35634 9.46384 -0.86929 -0.10615 0.10836 ( -0.09160 4.00000)
11.47395 4.04892 11.19556 -1.28514 0.18242 0.14237 ( -0.09191 4.00000)
9.15080 2.77757 16.12393 -0.89068 0.09960 0.29513 ( -0.09262 4.00000)
7.98734 0.36277 0.04247 -0.39359 -0.09742 0.06060 ( -0.09815 4.00000)
8.09306 7.37877 7.53063 -1.18020 0.06046 0.50890 ( -0.09215 4.00000)
5.20414 6.37683 7.73407 -1.23716 -0.03147 -0.50507 ( -0.09144 4.00000)
12.25313 11.32613 12.87115 -0.96486 -0.22810 0.38727 ( -0.09194 4.00000)
7.88582 9.71337 11.41294 -0.64727 0.10333 -0.22963 ( -0.09870 4.00000)
7.90588 7.26091 16.85699 -0.61897 -0.10118 0.07506 ( -0.09900 4.00000)
11.07224 14.64349 6.08452 -0.62571 0.12297 0.01378 ( -0.09118 4.00000)
9.97410 0.03402 5.82220 -0.63528 0.14354 0.24562 ( -0.08881 4.00000)
11.77786 16.49122 3.26041 -1.02527 0.11504 0.66238 ( -0.08715 4.00000)
6.65717 11.67689 9.40508 -0.76300 -0.05368 0.06482 ( -0.09015 4.00000)
7.76961 15.24886 11.07941 -0.51304 0.00140 -0.03715 ( -0.09776 4.00000)
8.52712 0.41686 12.29829 -1.00058 0.02809 -0.12252 ( -0.08936 4.00000)
13.11181 17.12784 0.26607 -0.67581 0.04050 0.06261 ( -0.08549 4.00000)
13.20693 2.50512 1.34897 -0.67355 -0.04747 0.01960 ( -0.08918 4.00000)
17.29335 3.71694 3.19979 -1.25521 0.01901 0.37370 ( -0.09011 4.00000)
14.20035 4.69758 3.69278 -1.27441 -0.01313 -0.39991 ( -0.08833 4.00000)
14.59997 3.56179 12.23787 -1.19715 -0.11401 -0.32613 ( -0.09120 4.00000)
13.57708 5.48481 0.72232 -0.61431 -0.02035 0.03787 ( -0.08936 4.00000)
12.29749 8.18631 0.22048 -0.47038 0.08006 0.08438 ( -0.09822 4.00000)
16.86596 10.59176 5.62457 -0.43799 0.04300 -0.00407 ( -0.09870 4.00000)
16.66958 8.43890 13.63905 -0.58688 -0.07604 0.07488 ( -0.08538 4.00000)
16.67265 11.67449 14.15979 -0.64827 -0.00140 0.08947 ( -0.08842 4.00000)
14.70756 7.45696 15.98014 -1.24944 -0.07498 0.41958 ( -0.09158 4.00000)
16.06899 0.34084 4.92526 -0.69905 -0.11513 -0.12441 ( -0.08744 4.00000)
14.63768 15.41566 3.05858 -1.16087 0.10644 -0.47306 ( -0.09017 4.00000)
12.21694 15.07373 9.87203 -0.77437 0.08349 -0.07996 ( -0.09348 4.00000)
15.65466 0.14914 13.86557 -0.70843 -0.06811 -0.16683 ( -0.08886 4.00000)
14.35754 15.71932 11.91759 -1.11617 0.16098 -0.33896 ( -0.08861 4.00000)
14.30081 12.83268 16.21967 -0.97446 0.01532 0.34084 ( -0.08470 4.00000)
8.77223 10.39607 2.47225 0.83343 0.55801 0.21904 ( -0.09164 4.00000)
12.91187 8.54216 10.48161 0.31106 0.12314 -0.01847 ( -0.09197 4.00000)
8.49467 15.82840 2.99445 0.57405 -0.19372 0.46406 ( -0.09187 4.00000)
1.32045 2.68577 1.08043 -1.03364 0.07234 0.27426 ( -0.66890 6.00000)
5.44581 4.42337 3.31859 -3.35675 0.10577 1.33946 ( -0.66435 6.00000)
2.71895 4.15019 2.95898 -2.84819 -0.20124 -1.38976 ( -0.66214 6.00000)
2.89361 2.63574 7.84048 -3.19033 0.57437 0.72981 ( -0.66645 6.00000)
3.72928 2.61904 13.46082 -0.98002 -0.20715 0.35570 ( -0.66209 6.00000)
1.12195 3.42722 9.72736 -0.96884 -0.10203 0.03164 ( -0.66627 6.00000)
2.69176 4.49808 11.70258 -2.69690 0.26475 -1.22236 ( -0.66528 6.00000)
1.13271 5.33613 0.95032 -0.98464 -0.04461 0.07494 ( -0.66691 6.00000)
4.03043 8.42197 5.67301 -0.96331 0.09842 -0.14956 ( -0.66543 6.00000)
3.75157 11.03623 5.64253 -1.09378 -0.02398 -0.03463 ( -0.66991 6.00000)
2.52170 7.25791 7.75547 -2.54412 0.23032 1.28120 ( -0.66777 6.00000)
17.39856 7.13193 7.68295 -2.29517 -0.28893 -1.18055 ( -0.66748 6.00000)
1.18188 6.06412 9.94036 -0.92385 -0.00351 0.05735 ( -0.66535 6.00000)
1.18202 8.73358 9.65531 -0.91094 0.12866 0.15699 ( -0.66857 6.00000)
3.91098 11.84592 13.59643 -0.92612 -0.12905 -0.20168 ( -0.65472 6.00000)
5.12928 10.31683 11.41789 -2.49255 0.90272 1.06205 ( -0.66361 6.00000)
2.50977 10.51875 11.46580 -2.66055 -0.70848 -0.82863 ( -0.66787 6.00000)
17.45087 6.59897 16.12377 -2.43372 0.22145 -1.45768 ( -0.66114 6.00000)
3.55980 13.67281 5.25157 -0.96468 0.18036 -0.29336 ( -0.66615 6.00000)
1.28803 14.62748 0.64715 -0.84060 0.06288 -0.04315 ( -0.65754 6.00000)
4.98905 14.24610 3.11864 -1.65146 -0.18146 0.33018 ( -0.66101 6.00000)
2.40264 15.06164 3.08512 -1.98970 1.02417 -0.78613 ( -0.66786 6.00000)
2.72172 12.72875 7.62075 -2.50631 0.33433 1.32689 ( -0.65990 6.00000)
1.06333 11.39589 9.35618 -0.96685 -0.00219 -0.04496 ( -0.66881 6.00000)
3.61212 17.43666 14.11103 -1.03678 0.29761 0.42974 ( -0.66734 6.00000)
2.61877 15.69429 12.36150 -2.96123 -0.49173 -1.17065 ( -0.66948 6.00000)
2.80206 13.36593 15.83914 -2.89171 0.34190 1.43762 ( -0.65367 6.00000)
17.47316 13.58140 16.05649 -2.90760 -0.15328 -1.10018 ( -0.66534 6.00000)
9.77890 2.08644 1.42003 -1.48135 -0.02723 -0.41391 ( -0.65834 6.00000)
11.39452 4.37239 2.86549 -3.13134 -0.06405 1.35990 ( -0.65040 6.00000)
5.75314 2.47184 7.89843 -3.14954 0.01752 -1.23640 ( -0.66021 6.00000)
10.58974 3.42804 13.84178 -0.98585 -0.11470 0.14301 ( -0.66618 6.00000)
7.29963 3.26088 10.01774 -1.08462 0.23448 0.23328 ( -0.66845 6.00000)
10.61644 6.04073 13.30213 -1.55100 -0.80197 -0.51610 ( -0.66539 6.00000)
8.72282 4.57356 11.93667 -3.68135 0.12724 -1.14800 ( -0.65730 6.00000)
6.87268 5.85394 1.60201 -1.06077 0.50997 -0.37336 ( -0.67151 6.00000)
10.69996 7.99849 7.09252 -1.15285 -0.41164 -0.02857 ( -0.65470 6.00000)
5.73707 8.23825 1.01832 -1.14836 0.14801 0.12748 ( -0.66578 6.00000)
10.63831 11.82289 5.95914 -1.04037 0.10027 0.20133 ( -0.65864 6.00000)
12.27791 10.92294 3.59234 -1.71313 -0.13348 0.39410 ( -0.66326 6.00000)
7.82470 9.40720 2.06031 -1.97000 -0.25354 -0.20234 ( -0.65744 6.00000)
7.06519 5.95381 10.03323 -1.09860 0.24659 -0.22962 ( -0.66352 6.00000)
11.49637 8.56646 14.11248 -1.00703 0.52279 -0.08923 ( -0.66926 6.00000)
6.22218 8.54831 9.46647 -1.03214 0.08775 0.04369 ( -0.66404 6.00000)
10.64255 10.88430 15.28736 -1.18551 0.44400 0.48989 ( -0.66472 6.00000)
5.27533 6.08183 16.89617 -2.22734 -0.13609 -1.15810 ( -0.66186 6.00000)
6.19392 10.87447 0.49133 -1.17678 -0.31625 0.41965 ( -0.66594 6.00000)
6.63594 13.50144 0.40946 -0.95966 0.05795 0.05122 ( -0.65659 6.00000)
9.20318 15.33527 4.12194 -1.50061 -0.11814 -0.55134 ( -0.65439 6.00000)
8.65369 12.87516 7.41323 -3.83328 -0.40720 0.81088 ( -0.64957 6.00000)
5.50203 12.61795 6.94111 -3.09745 -0.26783 -1.10148 ( -0.65982 6.00000)
10.10713 13.64215 15.27789 -1.37035 0.06313 -0.01802 ( -0.62124 6.00000)
10.67911 0.87544 14.08625 -1.13640 -0.14367 -0.39781 ( -0.66082 6.00000)
11.60356 17.20368 11.75834 -2.65878 0.80399 1.06678 ( -0.65220 6.00000)
8.39118 11.91622 16.60701 -3.48155 -0.10420 0.61583 ( -0.64500 6.00000)
5.50451 12.34914 15.80657 -2.48114 0.58302 -1.22697 ( -0.65765 6.00000)
15.73327 3.04046 5.55542 -1.07229 0.09219 -0.04669 ( -0.66797 6.00000)
16.46394 5.60663 5.46979 -1.13196 -0.29614 -0.30229 ( -0.66620 6.00000)
14.52808 1.45286 7.47168 -2.84971 -0.05527 1.41183 ( -0.66540 6.00000)
11.79275 1.56088 7.78873 -2.84175 0.18025 -1.18115 ( -0.66329 6.00000)
13.32704 0.21681 9.64565 -0.99954 -0.06723 0.09799 ( -0.66893 6.00000)
16.41790 2.90736 14.26355 -1.06602 -0.00862 -0.22264 ( -0.65785 6.00000)
13.45171 2.82808 9.57211 -1.13097 0.05210 0.00794 ( -0.67139 6.00000)
16.10069 5.57752 13.99343 -1.00851 -0.11724 -0.07021 ( -0.66830 6.00000)
0.00005 4.40711 11.99025 -2.66923 -0.39067 1.42654 ( -0.66455 6.00000)
14.62884 1.73967 16.17160 -2.76832 0.08544 1.23262 ( -0.66158 6.00000)
11.98368 2.03831 16.06725 -2.65024 0.54382 -1.31586 ( -0.66359 6.00000)
15.63239 8.11986 5.68103 -0.92570 -0.10999 0.05264 ( -0.66900 6.00000)
17.11138 8.55854 3.60414 -1.79529 0.04589 0.85820 ( -0.66391 6.00000)
14.79559 9.98222 3.60061 -2.05610 1.04661 -0.75481 ( -0.66014 6.00000)
14.83832 6.40254 7.47085 -1.32934 -0.27876 0.48035 ( -0.66213 6.00000)
10.26118 5.42988 7.96507 -0.92186 0.23684 -0.20754 ( -0.65358 6.00000)
13.84142 5.42996 10.14226 -0.96263 -0.20091 0.22042 ( -0.65660 6.00000)
12.90067 9.94534 10.26834 -0.73046 -0.15789 -0.11265 ( -0.65786 6.00000)
17.40760 10.25314 11.57387 -2.26526 0.04160 1.41712 ( -0.67071 6.00000)
14.84553 10.65634 12.01294 -2.90297 0.65287 -1.00709 ( -0.66734 6.00000)
12.09160 6.31793 15.56215 -1.38660 -0.07317 -0.88277 ( -0.66079 6.00000)
13.66330 11.76838 1.50243 -1.06885 0.29123 -0.41674 ( -0.65934 6.00000)
15.90808 14.97969 5.66759 -0.86417 -0.00494 -0.27080 ( -0.65403 6.00000)
12.90234 14.38066 1.10662 -0.93705 0.12466 -0.02376 ( -0.66278 6.00000)
17.39979 15.79595 3.12260 -2.68462 0.16525 1.47394 ( -0.65159 6.00000)
14.24465 13.87010 7.98683 -2.92204 -0.19286 1.43278 ( -0.65380 6.00000)
11.50975 12.98027 8.22780 -2.38528 -0.32499 -1.10793 ( -0.65803 6.00000)
13.37751 12.44417 10.26044 -0.94136 0.14567 -0.08825 ( -0.66212 6.00000)
15.76289 14.59733 14.23402 -1.02248 0.12491 -0.10231 ( -0.66491 6.00000)
17.35248 15.55367 12.27553 -3.08345 0.28309 1.31812 ( -0.66414 6.00000)
11.51892 12.39014 17.28946 -2.92668 -0.40854 -1.02667 ( -0.65302 6.00000)
2.14782 0.44560 2.19550 0.02987 -0.01356 -0.06094 ( -0.02076 1.00000)
3.29477 2.11300 4.94555 -0.05574 -0.14604 -0.07419 ( -0.02065 1.00000)
2.45654 5.15830 5.71352 -0.04190 -0.00882 0.01549 ( -0.02056 1.00000)
17.13665 1.28635 8.55333 0.05985 -0.09652 0.04062 ( -0.02066 1.00000)
2.05496 17.16622 9.63831 -0.01683 -0.06610 0.14518 ( -0.02102 1.00000)
2.76007 4.61458 14.97268 -0.08982 -0.02473 0.08819 ( -0.02079 1.00000)
5.82104 5.64963 12.65472 -0.00569 -0.01253 0.02275 ( -0.02064 1.00000)
1.99867 2.73895 15.76239 0.02611 0.13704 0.00843 ( -0.02057 1.00000)
16.62702 0.41219 17.23014 -0.05662 -0.10341 0.02544 ( -0.02071 1.00000)
0.53299 8.97932 0.15968 0.07664 -0.01587 -0.00698 ( -0.02080 1.00000)
6.28070 9.99466 4.05905 -0.11547 -0.04177 -0.06719 ( -0.02071 1.00000)
2.80484 10.34140 2.60493 0.01648 -0.06642 0.04056 ( -0.02067 1.00000)
5.85876 7.59725 14.24081 -0.10984 -0.01031 0.14099 ( -0.02100 1.00000)
2.33378 8.07412 16.06384 0.03378 0.09126 -0.03012 ( -0.02069 1.00000)
0.72196 11.42800 1.39191 0.02043 -0.05282 0.05770 ( -0.02111 1.00000)
4.17641 17.36384 8.00554 0.12916 0.01828 -0.00368 ( -0.02105 1.00000)
0.17664 14.81238 7.80592 -0.00733 -0.08658 -0.03282 ( -0.02063 1.00000)
5.28314 15.15948 14.98492 0.02850 -0.04955 -0.05099 ( -0.02055 1.00000)
1.99589 13.21868 11.02572 0.08052 -0.00332 -0.07996 ( -0.02084 1.00000)
4.90269 16.46159 10.85427 -0.06078 0.01668 0.00671 ( -0.02061 1.00000)
11.44760 2.27402 4.62061 -0.04688 0.04996 0.09463 ( -0.02069 1.00000)
6.42001 2.18281 1.50214 0.00216 -0.06537 0.05185 ( -0.02069 1.00000)
11.20298 6.44871 5.00937 -0.10584 -0.13507 0.03816 ( -0.02068 1.00000)
8.23943 2.94593 3.71752 0.03248 -0.05482 -0.03312 ( -0.02073 1.00000)
9.07830 3.43667 7.86385 0.01009 0.01744 0.06811 ( -0.02050 1.00000)
8.13841 17.45818 9.05432 -0.08023 0.10878 0.13458 ( -0.02071 1.00000)
11.09062 4.59939 10.31069 -0.01526 -0.02500 0.03229 ( -0.02044 1.00000)
8.29143 2.75175 15.42638 -0.07363 0.04622 -0.07842 ( -0.02068 1.00000)
8.82941 17.22992 17.22214 0.00857 0.13905 0.05005 ( -0.02091 1.00000)
7.50840 7.62286 6.62087 0.03909 0.05548 -0.08452 ( -0.02062 1.00000)
4.60511 5.74329 8.41778 -0.00623 -0.11192 0.02393 ( -0.02060 1.00000)
12.92668 11.75537 13.63632 0.02108 -0.08854 -0.04729 ( -0.02067 1.00000)
8.02117 10.55523 12.10517 0.15078 -0.06449 0.00382 ( -0.02102 1.00000)
8.67556 7.71636 17.49570 -0.01746 -0.05648 -0.06401 ( -0.02086 1.00000)
11.47875 15.24589 6.91703 0.00805 -0.09088 -0.01643 ( -0.02094 1.00000)
9.35972 16.97903 6.56192 -0.05403 -0.03004 0.08884 ( -0.02071 1.00000)
11.03713 17.07922 2.67792 -0.04154 0.13082 0.01009 ( -0.02062 1.00000)
7.42775 12.08916 10.09180 0.01875 -0.07905 -0.12505 ( -0.02061 1.00000)
7.92017 14.83580 12.09082 0.12808 0.00641 -0.00919 ( -0.02081 1.00000)
8.50905 1.48718 11.99359 -0.01390 -0.08510 0.10092 ( -0.02011 1.00000)
13.83892 16.58967 17.12637 0.02630 0.08196 0.15223 ( -0.02075 1.00000)
14.18064 2.16404 1.76300 -0.07354 0.12386 -0.10867 ( -0.02061 1.00000)
0.22637 2.85420 3.74771 0.00084 0.14818 0.01895 ( -0.02073 1.00000)
13.55731 4.46328 4.56374 -0.02534 0.04260 0.10485 ( -0.02079 1.00000)
13.93368 3.48067 13.12140 -0.01840 -0.08867 0.06428 ( -0.02061 1.00000)
14.29477 4.78199 0.25086 -0.05174 0.05093 0.02660 ( -0.02065 1.00000)
12.05112 9.01860 17.04503 0.09506 0.01546 0.00919 ( -0.02084 1.00000)
16.27694 10.80430 6.52497 0.05430 0.01658 0.10443 ( -0.02104 1.00000)
16.72250 7.84092 12.70809 0.06767 0.01955 0.02837 ( -0.02074 1.00000)
0.08131 12.14367 13.72814 -0.12430 0.01824 0.04746 ( -0.02058 1.00000)
15.18747 8.06134 16.77823 0.04155 -0.08728 -0.04856 ( -0.02062 1.00000)
15.33129 0.80027 4.23469 0.04268 0.08992 -0.15189 ( -0.02071 1.00000)
15.22283 14.74953 2.39790 -0.00696 0.10725 0.00084 ( -0.02073 1.00000)
11.52991 14.60593 10.60396 -0.01358 -0.03947 0.07738 ( -0.02061 1.00000)
14.54913 0.08259 13.94141 -0.16298 0.05071 -0.06169 ( -0.02068 1.00000)
13.64918 15.17179 12.57877 -0.05735 -0.07237 0.02728 ( -0.02045 1.00000)
14.26990 11.73639 16.04700 0.02010 -0.02097 0.04633 ( -0.02075 1.00000)
2.83011 17.00291 0.89614 -0.14381 0.00573 0.01538 ( -0.02063 1.00000)
5.01762 2.19884 4.72481 -0.00738 0.16134 0.10638 ( -0.02075 1.00000)
2.72197 6.40768 4.52960 -0.03599 0.03288 -0.08053 ( -0.02071 1.00000)
0.61592 0.85326 7.17988 0.00471 0.08837 0.01204 ( -0.02068 1.00000)
1.05804 0.47662 10.87149 0.09078 0.03420 0.00638 ( -0.02089 1.00000)
2.72869 6.02833 13.97220 -0.04355 0.06321 -0.02022 ( -0.02058 1.00000)
6.27365 4.07474 13.21275 -0.00568 -0.01247 -0.06369 ( -0.02068 1.00000)
3.39789 2.54642 16.78232 -0.05585 -0.12289 -0.00490 ( -0.02064 1.00000)
0.26647 0.03376 15.97352 0.00922 0.11721 0.00039 ( -0.02053 1.00000)
16.86896 8.04953 1.06168 -0.18333 0.07017 -0.00741 ( -0.02064 1.00000)
5.26691 11.21282 3.35522 0.07277 0.03833 0.02141 ( -0.02060 1.00000)
1.79651 10.63408 3.97172 0.00413 0.13130 -0.04843 ( -0.02068 1.00000)
4.24367 8.25477 13.91418 0.02238 0.06389 -0.12154 ( -0.02100 1.00000)
3.20146 7.72932 0.04071 0.06598 -0.06244 0.00297 ( -0.02058 1.00000)
17.29565 11.52683 2.88643 0.08611 0.04670 0.02798 ( -0.02114 1.00000)
5.09458 17.34903 6.48077 -0.04012 0.11689 0.09168 ( -0.02097 1.00000)
16.80060 13.95067 9.04167 0.02021 0.06741 -0.00170 ( -0.02068 1.00000)
5.65314 14.35380 13.49055 -0.08837 0.02873 0.06465 ( -0.02070 1.00000)
2.85103 14.37043 10.06567 -0.17571 -0.01382 0.00241 ( -0.02072 1.00000)
4.88020 0.46410 11.72901 -0.01881 0.04050 -0.00663 ( -0.02065 1.00000)
11.82432 3.49932 5.78478 -0.10711 -0.03556 -0.11096 ( -0.02073 1.00000)
6.33916 3.40343 0.25044 -0.00075 -0.02332 -0.11613 ( -0.02060 1.00000)
9.59394 6.71839 4.41200 0.08477 0.08454 -0.06170 ( -0.02055 1.00000)
7.91802 4.38505 4.66043 -0.00326 -0.04129 0.04708 ( -0.02069 1.00000)
8.23543 2.62518 6.58554 -0.00135 0.05391 -0.01397 ( -0.02066 1.00000)
6.41431 17.32071 8.88054 0.06957 -0.10959 -0.11927 ( -0.02063 1.00000)
11.14557 3.00954 10.98712 0.02572 -0.13115 -0.03469 ( -0.02076 1.00000)
9.36027 3.86210 16.23230 0.07809 -0.06094 0.01210 ( -0.02050 1.00000)
7.53966 17.41529 0.94072 0.05182 -0.07072 0.08282 ( -0.02108 1.00000)
8.48774 8.36338 7.84778 0.03814 -0.04943 0.04213 ( -0.02061 1.00000)
5.72768 5.64505 7.08615 -0.00608 0.11161 0.03202 ( -0.02074 1.00000)
11.53162 12.14308 12.66419 -0.00580 0.11466 0.00220 ( -0.02052 1.00000)
7.77778 8.79967 12.01567 0.12076 0.00866 0.01101 ( -0.02093 1.00000)
7.67148 7.97660 16.05599 0.14273 0.05346 -0.02744 ( -0.02096 1.00000)
11.96712 14.11387 5.69832 -0.09537 0.00737 0.02761 ( -0.02059 1.00000)
9.20674 0.45352 5.13285 -0.07779 0.02641 -0.08470 ( -0.02061 1.00000)
12.42086 17.27854 3.71166 -0.02955 -0.12485 -0.02175 ( -0.02069 1.00000)
5.72984 12.20671 9.71226 0.04133 0.10241 0.08950 ( -0.02058 1.00000)
7.06651 14.59485 10.54611 0.01569 -0.11544 -0.05967 ( -0.02101 1.00000)
8.18003 0.43236 13.34917 -0.03409 0.04651 -0.04597 ( -0.02050 1.00000)
12.13433 16.79403 17.35819 -0.03567 -0.08895 -0.11884 ( -0.02057 1.00000)
12.47800 1.85419 1.86970 0.08684 -0.10629 0.08983 ( -0.02068 1.00000)
16.61133 3.22326 2.47663 -0.05022 -0.14220 -0.05491 ( -0.02072 1.00000)
14.18380 5.80672 3.64923 0.03134 0.02990 -0.02394 ( -0.02065 1.00000)
14.87276 2.50739 12.03337 0.02670 0.04552 -0.01418 ( -0.02070 1.00000)
14.23243 6.19147 1.27631 -0.04968 -0.06378 -0.04488 ( -0.02069 1.00000)
12.93327 8.58137 1.02753 0.02387 -0.05721 -0.09532 ( -0.02099 1.00000)
0.31818 10.15222 5.96061 -0.06813 0.02090 -0.10195 ( -0.02093 1.00000)
0.23893 8.66414 13.84372 -0.18737 -0.00872 0.03256 ( -0.02068 1.00000)
17.08408 11.06555 14.99139 -0.00945 0.05789 -0.05570 ( -0.02075 1.00000)
14.24371 8.22849 15.33189 -0.00525 0.10383 -0.00987 ( -0.02070 1.00000)
17.03243 0.72423 4.52831 -0.06927 -0.10473 0.11704 ( -0.02069 1.00000)
14.06257 14.70897 3.69175 -0.05265 -0.13336 0.00028 ( -0.02066 1.00000)
11.55248 15.52990 9.11606 -0.08200 0.01579 -0.11945 ( -0.02080 1.00000)
15.79992 0.71375 12.92180 0.08120 -0.02042 -0.01723 ( -0.02075 1.00000)
14.66771 14.92743 11.20480 0.03374 0.08702 -0.09617 ( -0.02060 1.00000)
13.59723 13.22883 15.45681 -0.03528 -0.03691 -0.05631 ( -0.02061 1.00000)
0.28893 16.96969 9.61776 -0.07329 0.03623 -0.12451 ( -0.02106 1.00000)
5.14861 8.79609 15.34428 0.07372 -0.05550 -0.00072 ( -0.02091 1.00000)
16.57887 10.76457 1.44815 -0.06942 0.05200 -0.13222 ( -0.02104 1.00000)
3.32280 17.43531 6.45000 -0.07210 -0.11061 -0.10939 ( -0.02101 1.00000)
7.22345 0.33037 16.74849 0.00470 -0.02880 -0.10399 ( -0.02094 1.00000)
8.80270 9.61454 10.81195 -0.06978 0.02906 0.09208 ( -0.02096 1.00000)
8.32656 6.35754 16.39008 0.05308 0.08635 0.05215 ( -0.02103 1.00000)
8.73549 15.20213 10.55252 -0.08558 0.07676 0.11733 ( -0.02102 1.00000)
11.35757 7.84337 0.68199 -0.08245 0.00615 0.12999 ( -0.02092 1.00000)
17.07689 11.54135 5.11708 0.09005 -0.06115 -0.00580 ( -0.02116 1.00000)
1.05898 4.30352 7.32607 -0.37795 -0.09520 0.01917 ( -0.02018 1.00000)
4.03509 12.56543 11.20951 -0.38734 -0.00987 0.02514 ( -0.02038 1.00000)
2.98241 12.61908 2.99845 -0.33925 0.03768 -0.03260 ( -0.02028 1.00000)
13.02951 6.77394 13.23542 -0.34948 -0.00747 -0.02835 ( -0.02023 1.00000)
9.81405 10.04557 13.02717 -0.34366 -0.03619 0.06091 ( -0.02045 1.00000)
14.38062 12.44509 3.83928 -0.36681 0.03344 -0.02416 ( -0.02024 1.00000)
15.29130 12.60070 6.14349 -0.41471 -0.00937 -0.04109 ( -0.02035 1.00000)
1.51212 12.17674 0.04632 -0.35884 -0.00485 -0.00839 ( -0.02050 1.00000)
5.20365 1.54821 15.21091 -0.58440 0.03708 0.03619 ( -0.02022 1.00000)
6.79297 14.20253 8.32851 -0.39026 -0.03959 0.01816 ( -0.02024 1.00000)
11.61515 7.96197 6.76612 0.25218 0.07682 0.07937 ( -0.01937 1.00000)
10.25461 10.96603 6.21744 0.36712 -0.06087 0.00775 ( -0.01912 1.00000)
11.90891 11.26603 4.43245 0.61395 -0.09010 -0.37663 ( -0.01828 1.00000)
8.53540 10.78259 3.48001 0.03485 -0.06485 -0.00691 ( -0.02167 1.00000)
9.76681 9.93079 2.50215 -0.09726 0.11043 -0.00048 ( -0.02161 1.00000)
8.80784 11.23977 1.76494 0.03802 -0.11215 0.00759 ( -0.02157 1.00000)
14.97448 6.01037 8.35394 0.44449 0.12553 -0.30222 ( -0.01875 1.00000)
10.93413 4.83383 7.59381 0.24729 0.05804 0.07736 ( -0.01945 1.00000)
13.14865 5.92816 9.67432 0.29425 0.09303 -0.12708 ( -0.01925 1.00000)
12.65000 8.06887 9.52187 0.09090 -0.03373 -0.03271 ( -0.02174 1.00000)
13.90414 8.18239 10.79823 -0.09052 0.02176 -0.05458 ( -0.02161 1.00000)
12.16474 8.24325 11.23577 -0.05769 -0.03514 0.11950 ( -0.02171 1.00000)
5.27827 14.04824 2.20496 0.57330 -0.02191 -0.26889 ( -0.01848 1.00000)
10.20084 2.92381 1.69633 0.54795 0.14895 0.08406 ( -0.01882 1.00000)
7.46833 14.00510 0.41146 0.27356 -0.02650 -0.00061 ( -0.01930 1.00000)
7.48179 15.39929 3.01468 -0.06214 -0.03174 -0.02203 ( -0.02153 1.00000)
8.41010 16.93048 3.00754 0.02323 0.06859 -0.06001 ( -0.02171 1.00000)
8.99741 15.53505 2.05618 0.01862 0.05147 -0.03072 ( -0.02166 1.00000)
-----------------------------------------------------------------------------------------
total drift (improves with k-points): 1.07664 0.01328 0.01210
--------------------------------------------------------------------------------------------------------
Linear response to external field, progress :
Direction: 2
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 2( 1) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -21.45452982
---------------------------------------------------
free energy TOTEN = -21.45452982 eV
energy without entropy = -21.45452982
----------------------------------------- Iteration 2( 2) ---------------------------------------
Broyden mixing:
rms(total) = 0.83386E+00 rms(broyden)= 0.83265E+00
rms(prec ) = 0.96697E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.07173984
---------------------------------------------------
free energy TOTEN = -22.07173984 eV
energy without entropy = -22.07173984
----------------------------------------- Iteration 2( 3) ---------------------------------------
Broyden mixing:
rms(total) = 0.45121E+00 rms(broyden)= 0.45113E+00
rms(prec ) = 0.52666E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6263
1.6263
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.77926017
-V(xc)+E(xc) XCENC = 3.00015701
PAW double counting = 2.11928156 -2.12057278
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -19.42823916
---------------------------------------------------
free energy TOTEN = -17.20863354 eV
energy without entropy = -17.20863354
----------------------------------------- Iteration 2( 4) ---------------------------------------
Broyden mixing:
rms(total) = 0.14626E+00 rms(broyden)= 0.14619E+00
rms(prec ) = 0.17883E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5348
0.9596 2.1099
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -2.70266994
-V(xc)+E(xc) XCENC = 11.29502065
PAW double counting = 6.90636413 -6.90421544
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.74228791
---------------------------------------------------
free energy TOTEN = -9.14778851 eV
energy without entropy = -9.14778851
----------------------------------------- Iteration 2( 5) ---------------------------------------
Broyden mixing:
rms(total) = 0.69826E-01 rms(broyden)= 0.69770E-01
rms(prec ) = 0.87125E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6322
0.8559 2.0204 2.0204
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.61766294
-V(xc)+E(xc) XCENC = 15.71068696
PAW double counting = 8.68921917 -8.68504621
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.30695103
---------------------------------------------------
free energy TOTEN = -5.20975406 eV
energy without entropy = -5.20975406
----------------------------------------- Iteration 2( 6) ---------------------------------------
Broyden mixing:
rms(total) = 0.22162E-01 rms(broyden)= 0.22146E-01
rms(prec ) = 0.36296E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6217
2.2815 2.2815 0.8495 1.0744
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.78193144
-V(xc)+E(xc) XCENC = 17.16523491
PAW double counting = 8.53503126 -8.52966727
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.31532730
---------------------------------------------------
free energy TOTEN = -3.92665985 eV
energy without entropy = -3.92665985
----------------------------------------- Iteration 2( 7) ---------------------------------------
Broyden mixing:
rms(total) = 0.12587E-01 rms(broyden)= 0.12578E-01
rms(prec ) = 0.20900E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7788
2.8014 2.5484 0.8488 1.0354 1.6599
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.91282203
-V(xc)+E(xc) XCENC = 17.97365329
PAW double counting = 8.43236159 -8.42678177
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.26995377
---------------------------------------------------
free energy TOTEN = -3.20354269 eV
energy without entropy = -3.20354269
----------------------------------------- Iteration 2( 8) ---------------------------------------
Broyden mixing:
rms(total) = 0.49283E-02 rms(broyden)= 0.49167E-02
rms(prec ) = 0.79432E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7924
3.3772 2.4160 1.8578 0.8604 0.9976 1.2451
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96000373
-V(xc)+E(xc) XCENC = 18.21403079
PAW double counting = 8.07617907 -8.07081023
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.23718441
---------------------------------------------------
free energy TOTEN = -2.97778851 eV
energy without entropy = -2.97778851
----------------------------------------- Iteration 2( 9) ---------------------------------------
Broyden mixing:
rms(total) = 0.27848E-02 rms(broyden)= 0.27795E-02
rms(prec ) = 0.42539E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8558
4.0487 2.4763 2.1027 1.5790 1.0431 0.8703 0.8703
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.97087964
-V(xc)+E(xc) XCENC = 18.23404633
PAW double counting = 8.04891577 -8.04356525
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22576106
---------------------------------------------------
free energy TOTEN = -2.95724386 eV
energy without entropy = -2.95724386
----------------------------------------- Iteration 2( 10) ---------------------------------------
Broyden mixing:
rms(total) = 0.13198E-02 rms(broyden)= 0.13176E-02
rms(prec ) = 0.19333E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9253
4.5325 2.7656 2.3427 1.6655 1.3539 1.0015 0.8702 0.8702
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96677332
-V(xc)+E(xc) XCENC = 18.18173609
PAW double counting = 8.05810546 -8.05276628
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22023833
---------------------------------------------------
free energy TOTEN = -2.99993639 eV
energy without entropy = -2.99993639
----------------------------------------- Iteration 2( 11) ---------------------------------------
Broyden mixing:
rms(total) = 0.50754E-03 rms(broyden)= 0.50616E-03
rms(prec ) = 0.74402E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9134
4.8580 3.0262 2.3776 1.8221 1.4217 1.0444 0.9643 0.8655 0.8409
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96426568
-V(xc)+E(xc) XCENC = 18.14735237
PAW double counting = 8.08687822 -8.08153211
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.21933334
---------------------------------------------------
free energy TOTEN = -3.03090053 eV
energy without entropy = -3.03090053
----------------------------------------- Iteration 2( 12) ---------------------------------------
Broyden mixing:
rms(total) = 0.26500E-03 rms(broyden)= 0.26460E-03
rms(prec ) = 0.38946E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9617
5.1743 3.2260 2.3411 2.2381 1.6319 1.3147 1.0101 0.9653 0.8810 0.8345
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96290423
-V(xc)+E(xc) XCENC = 18.13594145
PAW double counting = 8.09707228 -8.09172048
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.21981725
---------------------------------------------------
free energy TOTEN = -3.04142823 eV
energy without entropy = -3.04142823
----------------------------------------- Iteration 2( 13) ---------------------------------------
Broyden mixing:
rms(total) = 0.10832E-03 rms(broyden)= 0.10814E-03
rms(prec ) = 0.17155E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9304
5.1548 3.4058 2.5710 2.2906 1.7822 1.3240 1.0920 0.9356 0.9356 0.9254
0.8178
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96230719
-V(xc)+E(xc) XCENC = 18.13152379
PAW double counting = 8.09871583 -8.09336379
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22010326
---------------------------------------------------
free energy TOTEN = -3.04553461 eV
energy without entropy = -3.04553461
----------------------------------------- Iteration 2( 14) ---------------------------------------
Broyden mixing:
rms(total) = 0.60810E-04 rms(broyden)= 0.60746E-04
rms(prec ) = 0.97450E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9408
5.2333 3.6180 2.8246 2.3497 1.8275 1.6207 1.2195 1.1040 0.9593 0.8763
0.8763 0.7797
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96257497
-V(xc)+E(xc) XCENC = 18.13250621
PAW double counting = 8.09846456 -8.09311306
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.21960121
---------------------------------------------------
free energy TOTEN = -3.04431848 eV
energy without entropy = -3.04431848
----------------------------------------- Iteration 2( 15) ---------------------------------------
Broyden mixing:
rms(total) = 0.32309E-04 rms(broyden)= 0.32264E-04
rms(prec ) = 0.48317E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9421
5.3428 3.8437 3.0227 2.3733 2.1299 1.7257 1.2792 1.0895 1.0262 0.9677
0.8644 0.8644 0.7185
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96262168
-V(xc)+E(xc) XCENC = 18.13317434
PAW double counting = 8.09749211 -8.09214126
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22018171
---------------------------------------------------
free energy TOTEN = -3.04427819 eV
energy without entropy = -3.04427819
----------------------------------------- Iteration 2( 16) ---------------------------------------
Broyden mixing:
rms(total) = 0.17760E-04 rms(broyden)= 0.17737E-04
rms(prec ) = 0.25736E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9632
5.3638 4.2061 3.1846 2.5034 2.3165 1.7801 1.5085 1.2287 1.0912 0.9479
0.9479 0.8933 0.8417 0.6704
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96267609
-V(xc)+E(xc) XCENC = 18.13363347
PAW double counting = 8.09705610 -8.09170540
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22065812
---------------------------------------------------
free energy TOTEN = -3.04435004 eV
energy without entropy = -3.04435004
----------------------------------------- Iteration 2( 17) ---------------------------------------
Broyden mixing:
rms(total) = 0.10071E-04 rms(broyden)= 0.10056E-04
rms(prec ) = 0.13198E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9547
5.4264 4.5088 3.2932 2.6817 2.3092 1.9213 1.6748 1.2520 1.1035 1.0374
0.9173 0.8834 0.8834 0.8074 0.6210
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96267704
-V(xc)+E(xc) XCENC = 18.13377202
PAW double counting = 8.09702970 -8.09167917
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22036899
---------------------------------------------------
free energy TOTEN = -3.04392347 eV
energy without entropy = -3.04392347
----------------------------------------- Iteration 2( 18) ---------------------------------------
Broyden mixing:
rms(total) = 0.66348E-05 rms(broyden)= 0.66281E-05
rms(prec ) = 0.81661E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9226
5.4877 4.6475 3.3483 2.7552 2.3193 2.0369 1.7411 1.2583 1.2583 0.9803
0.9803 0.9691 0.8594 0.8594 0.7200 0.5399
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266452
-V(xc)+E(xc) XCENC = 18.13373160
PAW double counting = 8.09706694 -8.09171631
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22017580
---------------------------------------------------
free energy TOTEN = -3.04375808 eV
energy without entropy = -3.04375808
----------------------------------------- Iteration 2( 19) ---------------------------------------
Broyden mixing:
rms(total) = 0.50020E-05 rms(broyden)= 0.49982E-05
rms(prec ) = 0.58998E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9040
5.5523 4.7746 3.4061 2.8423 2.3172 2.2227 1.7510 1.5125 1.2369 1.1101
0.9424 0.9424 0.9010 0.9010 0.8203 0.6701 0.4652
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266225
-V(xc)+E(xc) XCENC = 18.13370892
PAW double counting = 8.09713051 -8.09177958
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22040965
---------------------------------------------------
free energy TOTEN = -3.04401205 eV
energy without entropy = -3.04401205
----------------------------------------- Iteration 2( 20) ---------------------------------------
Broyden mixing:
rms(total) = 0.43728E-05 rms(broyden)= 0.43700E-05
rms(prec ) = 0.48347E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8809
5.6103 4.8688 3.5039 2.8920 2.4281 2.2448 1.8565 1.6103 1.2890 1.0461
1.0461 0.9179 0.9179 0.9112 0.8602 0.8054 0.6411 0.4061
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266026
-V(xc)+E(xc) XCENC = 18.13369242
PAW double counting = 8.09715765 -8.09180716
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22019226
---------------------------------------------------
free energy TOTEN = -3.04380961 eV
energy without entropy = -3.04380961
----------------------------------------- Iteration 2( 21) ---------------------------------------
Broyden mixing:
rms(total) = 0.36406E-05 rms(broyden)= 0.36377E-05
rms(prec ) = 0.39335E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8616
5.6235 4.9546 3.5826 2.9802 2.4488 2.3133 1.8807 1.6429 1.3580 1.1630
1.1630 1.0006 1.0006 0.8783 0.8783 0.8341 0.7251 0.5824 0.3596
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266164
-V(xc)+E(xc) XCENC = 18.13369232
PAW double counting = 8.09717411 -8.09182321
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22020360
---------------------------------------------------
free energy TOTEN = -3.04382202 eV
energy without entropy = -3.04382202
----------------------------------------- Iteration 2( 22) ---------------------------------------
Broyden mixing:
rms(total) = 0.39031E-05 rms(broyden)= 0.39012E-05
rms(prec ) = 0.40745E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8095
5.6398 5.0017 3.6614 3.0335 2.5736 2.3195 2.0017 1.6977 1.4031 1.1686
1.1686 0.9876 0.9876 0.8744 0.8744 0.8220 0.6828 0.5551 0.4306 0.3057
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266052
-V(xc)+E(xc) XCENC = 18.13368533
PAW double counting = 8.09717110 -8.09181972
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22045735
---------------------------------------------------
free energy TOTEN = -3.04408115 eV
energy without entropy = -3.04408115
----------------------------------------- Iteration 2( 23) ---------------------------------------
Broyden mixing:
rms(total) = 0.31132E-05 rms(broyden)= 0.31111E-05
rms(prec ) = 0.32765E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7262
5.6421 5.0014 3.6632 3.0337 2.5761 2.3200 2.0056 1.6975 1.4083 1.1697
1.1697 0.9878 0.9878 0.8743 0.8743 0.8219 0.6823 0.5497 0.0404 0.4322
0.3128
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266058
-V(xc)+E(xc) XCENC = 18.13368459
PAW double counting = 8.09717188 -8.09182104
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22029501
---------------------------------------------------
free energy TOTEN = -3.04392017 eV
energy without entropy = -3.04392017
----------------------------------------- Iteration 2( 24) ---------------------------------------
Broyden mixing:
rms(total) = 0.34190E-05 rms(broyden)= 0.34174E-05
rms(prec ) = 0.35862E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6610
5.6227 4.9950 3.6546 3.0171 2.5631 2.3050 1.9835 1.6908 1.3491 1.1524
1.1524 0.9833 0.9833 0.8734 0.8734 0.8168 0.6739 0.3930 0.4655 0.4655
0.1362 0.3911
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266050
-V(xc)+E(xc) XCENC = 18.13368433
PAW double counting = 8.09717108 -8.09182039
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22027372
---------------------------------------------------
free energy TOTEN = -3.04389920 eV
energy without entropy = -3.04389920
----------------------------------------- Iteration 2( 25) ---------------------------------------
Broyden mixing:
rms(total) = 0.38268E-05 rms(broyden)= 0.38253E-05
rms(prec ) = 0.39878E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5931
5.5451 5.0014 3.6068 3.0173 2.4798 2.3567 1.9246 1.6910 1.2732 1.1238
1.0653 1.0256 1.0256 0.8604 0.8604 0.8144 0.6865 0.6865 0.2750 0.2750
0.4991 0.2079 0.3396
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266065
-V(xc)+E(xc) XCENC = 18.13368502
PAW double counting = 8.09717093 -8.09182007
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22025208
---------------------------------------------------
free energy TOTEN = -3.04387685 eV
energy without entropy = -3.04387685
----------------------------------------- Iteration 2( 26) ---------------------------------------
Broyden mixing:
rms(total) = 0.49476E-05 rms(broyden)= 0.49466E-05
rms(prec ) = 0.50978E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5399
5.5327 5.0268 3.6100 3.0311 2.4850 2.3635 1.9151 1.6972 1.2478 1.2478
1.0442 1.0007 1.0007 0.8633 0.8633 0.7973 0.2683 0.6285 0.2766 0.2766
0.5393 0.4643 0.4643 0.3122
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266018
-V(xc)+E(xc) XCENC = 18.13368264
PAW double counting = 8.09717100 -8.09182049
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22068351
---------------------------------------------------
free energy TOTEN = -3.04431054 eV
energy without entropy = -3.04431054
----------------------------------------- Iteration 2( 27) ---------------------------------------
Broyden mixing:
rms(total) = 0.47308E-05 rms(broyden)= 0.47297E-05
rms(prec ) = 0.49071E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5158
5.4950 5.0748 3.6373 3.0279 2.5442 2.3220 1.9042 1.6861 1.3217 1.3064
0.4916 1.0750 1.0141 1.0141 0.8704 0.8704 0.8252 0.7483 0.3009 0.6412
0.4726 0.4726 0.2193 0.2193 0.3395
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96265995
-V(xc)+E(xc) XCENC = 18.13368195
PAW double counting = 8.09716933 -8.09181860
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22033023
---------------------------------------------------
free energy TOTEN = -3.04395751 eV
energy without entropy = -3.04395751
----------------------------------------- Iteration 2( 28) ---------------------------------------
Broyden mixing:
rms(total) = 0.53631E-05 rms(broyden)= 0.53623E-05
rms(prec ) = 0.55455E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4833
5.5006 5.0905 3.6438 3.0684 2.5256 2.3385 1.8958 1.7016 1.2815 1.2815
1.0270 1.0270 1.0030 0.8864 0.8864 0.8499 0.8499 0.5309 0.5309 0.6860
0.2504 0.5187 0.2140 0.2140 0.4262 0.3369
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266061
-V(xc)+E(xc) XCENC = 18.13368519
PAW double counting = 8.09717203 -8.09182089
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22021734
---------------------------------------------------
free energy TOTEN = -3.04384162 eV
energy without entropy = -3.04384162
----------------------------------------- Iteration 2( 29) ---------------------------------------
Broyden mixing:
rms(total) = 0.56303E-05 rms(broyden)= 0.56295E-05
rms(prec ) = 0.58263E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4291
5.4984 5.0949 3.6443 3.0769 2.5159 2.3467 1.8959 1.7070 1.2754 1.2754
1.0126 1.0126 1.0085 0.8899 0.8899 0.8519 0.8519 0.6876 0.4871 0.4871
0.2456 0.1183 0.5160 0.4275 0.2141 0.2141 0.3396
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266010
-V(xc)+E(xc) XCENC = 18.13368260
PAW double counting = 8.09717034 -8.09181967
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22056770
---------------------------------------------------
free energy TOTEN = -3.04419452 eV
energy without entropy = -3.04419452
----------------------------------------- Iteration 2( 30) ---------------------------------------
Broyden mixing:
rms(total) = 0.61183E-05 rms(broyden)= 0.61175E-05
rms(prec ) = 0.63176E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3858
5.4908 5.0967 3.6534 3.0733 2.5105 2.3567 1.8962 1.7012 1.2940 1.2940
1.0387 1.0387 0.9964 0.8744 0.8744 0.8464 0.8464 0.6791 0.3980 0.3040
0.3776 0.3776 0.5051 0.0704 0.4373 0.2152 0.2152 0.3400
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266003
-V(xc)+E(xc) XCENC = 18.13368224
PAW double counting = 8.09716929 -8.09181868
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22010949
---------------------------------------------------
free energy TOTEN = -3.04373667 eV
energy without entropy = -3.04373667
----------------------------------------- Iteration 2( 31) ---------------------------------------
Broyden mixing:
rms(total) = 0.63572E-05 rms(broyden)= 0.63565E-05
rms(prec ) = 0.65838E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3460
5.4846 5.1021 3.6611 3.0675 2.5132 2.3626 1.9203 1.6979 1.3190 1.3190
1.0360 1.0360 1.0033 0.8658 0.8658 0.8483 0.8483 0.6809 0.3620 0.3620
0.2576 0.5263 0.3192 0.3192 0.0723 0.4157 0.2160 0.2160 0.3361
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266020
-V(xc)+E(xc) XCENC = 18.13368300
PAW double counting = 8.09716955 -8.09181868
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22005762
---------------------------------------------------
free energy TOTEN = -3.04368395 eV
energy without entropy = -3.04368395
----------------------------------------- Iteration 2( 32) ---------------------------------------
Broyden mixing:
rms(total) = 0.67421E-05 rms(broyden)= 0.67416E-05
rms(prec ) = 0.69666E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3054
5.4854 5.0998 3.6625 3.0639 2.5232 2.3538 1.9244 1.6948 1.3178 1.3178
1.0313 1.0313 1.0158 0.8621 0.8621 0.8480 0.8480 0.6803 0.3864 0.3864
0.2611 0.5291 0.3329 0.3329 0.4221 0.2160 0.2160 0.0506 0.0702 0.3351
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.96266024
-V(xc)+E(xc) XCENC = 18.13368320
PAW double counting = 8.09716830 -8.09181744
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -17.22048400
---------------------------------------------------
free energy TOTEN = -3.04411019 eV
energy without entropy = -3.04411019
------------------------ aborting loop because EDIFF is reached ----------------------------------------
change of polarisation eV/A/(eV/A) component 2 : -0.324 38.040 -0.131
dielectric tensor component 2 : -0.011 2.284 -0.004
--------------------------------------------------------------------------------------------------------
PIEZOELECTRIC TENSOR FIELD DIRECTION 2 (e Angst)
-----------------------------------------------------------------------------
2.69417 1.21053 6.23117 ( 0.12514 0.07852 0.65926)
1.21053 1.65976 2.59906 ( 0.07852 0.33304 0.14727)
6.23116 2.59906 1.14107 ( 0.65926 0.14727 0.11867)
PIEZOELECTRIC TENSOR FIELD DIRECTION 2 (C/m^2)
-----------------------------------------------------------------------------
0.00805 0.00362 0.01863
0.00362 0.00496 0.00777
0.01863 0.00777 0.00341
POSITION DIRECTION 2 BORN EFFECTIVE CHARGE (rigid.aug. ionic)
-----------------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.04119 2.84553 0.13504 ( 0.20399 4.00000)
4.30302 2.15352 7.05746 -0.30392 1.97515 -0.44840 ( 0.19858 4.00000)
1.30883 4.06731 2.03161 0.11290 3.45967 -0.03566 ( 0.18506 4.00000)
3.96992 4.32885 4.13194 -0.31203 2.30817 0.22485 ( 0.19563 4.00000)
1.29275 3.05683 8.10201 0.07795 2.13982 0.57507 ( 0.19991 4.00000)
3.79636 1.47547 14.70421 0.06816 3.29191 -0.21148 ( 0.19978 4.00000)
1.24643 4.63551 10.86193 0.04954 3.07030 -0.27788 ( 0.17372 4.00000)
3.89005 4.20092 12.88287 -0.12317 2.80860 -0.12241 ( 0.19650 4.00000)
1.04482 6.69020 17.44020 -0.50132 2.95512 -0.46022 ( 0.19768 4.00000)
3.77370 7.04599 6.61024 0.21667 3.00755 -0.19283 ( 0.19603 4.00000)
0.71312 9.21049 2.53845 0.09857 2.07988 0.52056 ( 0.20867 4.00000)
3.86880 9.70388 4.59023 -0.08261 3.44647 -0.21585 ( 0.19611 4.00000)
1.19399 7.29663 8.75952 0.00070 3.85492 0.34705 ( 0.17112 4.00000)
4.14925 6.52609 15.71477 0.30556 1.99235 0.43076 ( 0.20783 4.00000)
1.16791 10.19708 10.50563 0.46109 3.94961 0.12326 ( 0.17380 4.00000)
3.90202 11.30466 11.97145 -0.08427 2.44365 0.90834 ( 0.18914 4.00000)
1.41963 13.48240 16.88000 0.02368 2.23185 0.94017 ( 0.18917 4.00000)
3.89470 12.50036 6.39588 -0.16824 3.15207 0.51056 ( 0.17420 4.00000)
1.24092 15.65995 2.03746 -0.54622 3.26997 0.12508 ( 0.18621 4.00000)
3.45676 13.88732 3.60018 -0.58852 2.54961 -0.74729 ( 0.19380 4.00000)
1.37686 12.90671 8.69683 -0.21487 2.94445 0.14904 ( 0.19523 4.00000)
4.20896 12.98001 14.89140 -0.13375 2.95947 0.08702 ( 0.18454 4.00000)
1.28271 15.54574 11.35729 -0.17572 2.37719 0.49369 ( 0.19837 4.00000)
4.02704 16.14416 13.12883 -0.10021 3.16917 0.21616 ( 0.19681 4.00000)
8.51844 2.13686 0.32759 -0.25823 1.79286 0.24100 ( 0.20911 4.00000)
10.42520 1.68659 6.72748 0.24053 2.30797 -0.07622 ( 0.20522 4.00000)
6.89192 4.41938 2.41726 -0.19765 2.58318 -0.24065 ( 0.19667 4.00000)
10.22536 4.35381 4.16682 -0.29113 2.11625 -0.07864 ( 0.20536 4.00000)
7.19238 2.15284 8.75827 -0.14246 2.70295 0.35956 ( 0.19654 4.00000)
10.67141 2.29852 15.08728 -0.40052 2.78196 -0.17292 ( 0.18925 4.00000)
7.24075 4.59797 11.01224 -0.29050 3.21334 -0.09038 ( 0.18558 4.00000)
10.30176 4.56419 12.61212 0.02360 3.19165 -0.04261 ( 0.18716 4.00000)
6.40057 6.85176 0.36515 -0.45798 3.31822 -0.27577 ( 0.19334 4.00000)
9.75325 6.62606 6.90745 -0.25996 2.54148 0.30702 ( 0.20318 4.00000)
6.24007 9.67823 1.67645 0.40412 3.35076 -0.04344 ( 0.19145 4.00000)
6.65558 7.06042 8.79421 -0.58273 3.48476 0.05559 ( 0.19633 4.00000)
11.80692 6.94639 14.05727 0.42765 3.59761 0.32673 ( 0.19225 4.00000)
6.39955 9.97659 10.34026 -0.31665 3.73052 0.65898 ( 0.19906 4.00000)
11.03265 10.16848 13.84914 -0.29055 3.47808 0.20865 ( 0.20001 4.00000)
6.77345 12.10505 16.99256 -0.10885 2.91592 -0.81633 ( 0.17805 4.00000)
10.32223 13.09442 6.99099 0.82519 2.69848 0.03123 ( 0.19011 4.00000)
10.59365 15.96480 4.77521 -0.43020 2.42793 -0.03631 ( 0.20816 4.00000)
6.94250 12.79247 7.88185 0.72309 1.82231 -0.51277 ( 0.19984 4.00000)
10.18654 12.31147 16.08279 0.18656 2.61454 0.48888 ( 0.18769 4.00000)
7.13888 17.01345 11.20310 0.28839 1.78465 -0.36244 ( 0.21345 4.00000)
10.37682 0.23169 12.64835 -0.15806 1.67328 0.96968 ( 0.20669 4.00000)
13.24904 1.54346 17.14370 -0.24103 2.50142 0.27761 ( 0.19678 4.00000)
15.89410 1.64185 6.44545 0.06892 2.60508 0.13623 ( 0.19563 4.00000)
12.98857 4.28042 2.14546 0.32785 2.26573 -0.31760 ( 0.20533 4.00000)
15.96785 4.32998 4.48967 0.34970 3.10135 -0.03092 ( 0.19653 4.00000)
13.27097 1.52537 8.57426 -0.02066 3.19745 -0.20538 ( 0.17425 4.00000)
16.03461 1.53130 15.21659 0.28782 2.80646 -0.17218 ( 0.19639 4.00000)
13.37701 3.97590 10.80799 0.05242 2.61062 0.40617 ( 0.20020 4.00000)
16.23421 4.17555 13.11475 0.13984 3.78255 -0.11515 ( 0.18479 4.00000)
13.12188 6.75851 16.83328 -0.23135 2.18911 -0.56337 ( 0.20817 4.00000)
16.15350 6.82329 6.57280 -0.12997 3.60236 0.05603 ( 0.17941 4.00000)
13.80451 11.28726 3.11364 -0.57197 2.66010 -0.74078 ( 0.19250 4.00000)
16.01530 9.31599 4.57229 -0.27680 3.19231 -0.96147 ( 0.19266 4.00000)
16.24774 6.95131 14.97400 0.33959 3.09958 -0.01731 ( 0.19642 4.00000)
13.37358 11.10317 11.33384 -0.02559 3.30569 -0.55208 ( 0.19069 4.00000)
16.26481 10.28310 12.82929 -0.18186 2.90177 -0.05867 ( 0.19570 4.00000)
13.02958 12.87265 0.34345 0.01372 3.55469 0.48271 ( 0.18415 4.00000)
15.63587 13.81058 6.90598 -0.02780 2.07910 -0.80202 ( 0.20092 4.00000)
13.11026 15.86276 1.91698 -0.09328 3.00693 0.04852 ( 0.20397 4.00000)
16.04847 15.98249 4.25314 0.00446 2.86321 -0.45808 ( 0.19706 4.00000)
12.92950 13.50280 9.01948 -0.48876 2.93040 -0.57953 ( 0.18527 4.00000)
16.03470 13.24150 15.21399 -0.22802 3.20460 -0.26703 ( 0.19643 4.00000)
13.00717 16.52927 10.76204 -0.21523 3.00856 -0.10496 ( 0.20180 4.00000)
15.92967 15.85673 13.13419 -0.34332 3.21614 -0.45685 ( 0.19511 4.00000)
1.86054 17.36365 1.29865 -0.10006 -1.19068 0.43875 ( -0.08886 4.00000)
4.17830 2.73136 5.21241 0.16197 -0.93258 0.45713 ( -0.09089 4.00000)
3.26426 5.75851 5.24301 0.10646 -1.09702 -0.45416 ( -0.09070 4.00000)
17.49829 1.67854 7.58538 -0.30318 -0.84647 -0.13284 ( -0.09053 4.00000)
1.16532 17.05709 10.27678 0.06898 -0.73756 0.10404 ( -0.09841 4.00000)
3.43296 5.28736 14.40974 -0.07295 -0.95864 -0.51638 ( -0.09117 4.00000)
5.78979 4.58179 12.35127 0.01700 -0.63050 -0.01462 ( -0.08778 4.00000)
2.66622 1.96025 16.18884 -0.02394 -0.68517 0.13022 ( -0.09020 4.00000)
17.32027 0.89679 16.51550 -0.07068 -0.68460 -0.00773 ( -0.09063 4.00000)
0.46199 8.18893 0.93413 0.05201 -1.06198 -0.46945 ( -0.09245 4.00000)
5.39231 10.11127 3.40660 0.04352 -0.64759 -0.00789 ( -0.08962 4.00000)
2.32066 9.80687 3.44943 -0.06628 -0.72574 -0.11525 ( -0.09034 4.00000)
4.91964 7.92130 14.71679 -0.17525 -0.60770 0.04250 ( -0.09786 4.00000)
2.68710 7.23238 16.69438 0.11141 -0.68184 -0.19141 ( -0.09397 4.00000)
0.01020 10.88204 2.02154 0.13060 -0.70817 0.02605 ( -0.09799 4.00000)
4.21835 0.28129 6.98759 -0.00982 -0.65660 0.13256 ( -0.09784 4.00000)
17.23783 13.81793 8.03064 0.17262 -0.63069 0.03536 ( -0.08811 4.00000)
4.79582 14.66186 14.12172 -0.01192 -1.23535 0.34510 ( -0.09101 4.00000)
1.82404 14.00413 10.26937 0.23494 -1.10790 -0.45002 ( -0.08990 4.00000)
5.26768 16.92854 11.79676 -0.12014 -0.82183 0.13217 ( -0.08884 4.00000)
10.96027 2.96124 5.34122 0.08740 -1.08511 0.40021 ( -0.08959 4.00000)
6.97457 3.04582 1.08259 0.28010 -0.90061 -0.41891 ( -0.09229 4.00000)
10.16898 6.05361 5.08582 0.26161 -0.96874 -0.37191 ( -0.09115 4.00000)
8.34039 4.05066 3.68939 0.02029 -0.62421 -0.01514 ( -0.08880 4.00000)
8.74489 2.42632 7.55292 -0.04588 -0.85912 -0.09871 ( -0.08817 4.00000)
7.18775 0.35634 9.46384 -0.12538 -1.05637 0.47361 ( -0.09160 4.00000)
11.47395 4.04892 11.19556 0.09391 -0.58967 -0.01094 ( -0.09191 4.00000)
9.15080 2.77757 16.12393 -0.00163 -0.62896 0.05885 ( -0.09262 4.00000)
7.98734 0.36277 0.04247 0.02364 -0.66796 -0.06630 ( -0.09815 4.00000)
8.09306 7.37877 7.53063 0.14499 -0.64986 -0.19369 ( -0.09215 4.00000)
5.20414 6.37683 7.73407 -0.05563 -0.68093 -0.06023 ( -0.09144 4.00000)
12.25313 11.32613 12.87115 -0.13073 -0.81901 0.13142 ( -0.09194 4.00000)
7.88582 9.71337 11.41294 0.01878 -0.52224 0.00668 ( -0.09870 4.00000)
7.90588 7.26091 16.85699 -0.02373 -0.39005 0.06588 ( -0.09900 4.00000)
11.07224 14.64349 6.08452 -0.16798 -1.02567 0.37068 ( -0.09118 4.00000)
9.97410 0.03402 5.82220 0.11255 -1.27540 -0.39052 ( -0.08881 4.00000)
11.77786 16.49122 3.26041 0.17626 -0.68857 0.05018 ( -0.08715 4.00000)
6.65717 11.67689 9.40508 -0.16756 -1.15359 0.44387 ( -0.09015 4.00000)
7.76961 15.24886 11.07941 0.07220 -0.64166 0.08358 ( -0.09776 4.00000)
8.52712 0.41686 12.29829 -0.25521 -0.59741 -0.08789 ( -0.08936 4.00000)
13.11181 17.12784 0.26607 0.05930 -1.10193 0.30871 ( -0.08549 4.00000)
13.20693 2.50512 1.34897 0.03637 -1.18367 -0.45339 ( -0.08918 4.00000)
17.29335 3.71694 3.19979 -0.00347 -0.59983 0.00442 ( -0.09011 4.00000)
14.20035 4.69758 3.69278 -0.05130 -0.68736 0.07542 ( -0.08833 4.00000)
14.59997 3.56179 12.23787 0.02925 -0.64694 0.01016 ( -0.09120 4.00000)
13.57708 5.48481 0.72232 -0.04573 -1.10471 0.69641 ( -0.08936 4.00000)
12.29749 8.18631 0.22048 0.16109 -0.63126 0.02155 ( -0.09822 4.00000)
16.86596 10.59176 5.62457 -0.04869 -0.58708 -0.12328 ( -0.09870 4.00000)
16.66958 8.43890 13.63905 0.03263 -1.29643 0.39350 ( -0.08538 4.00000)
16.67265 11.67449 14.15979 0.13650 -1.30192 -0.35356 ( -0.08842 4.00000)
14.70756 7.45696 15.98014 -0.13706 -0.74991 0.24518 ( -0.09158 4.00000)
16.06899 0.34084 4.92526 -0.00024 -1.08736 -0.47875 ( -0.08744 4.00000)
14.63768 15.41566 3.05858 0.00638 -0.76012 0.04980 ( -0.09017 4.00000)
12.21694 15.07373 9.87203 0.12312 -1.12904 -0.29315 ( -0.09348 4.00000)
15.65466 0.14914 13.86557 0.07748 -1.26716 -0.34602 ( -0.08886 4.00000)
14.35754 15.71932 11.91759 -0.01054 -0.72580 -0.12670 ( -0.08861 4.00000)
14.30081 12.83268 16.21967 0.05057 -0.66115 -0.06981 ( -0.08470 4.00000)
8.77223 10.39607 2.47225 0.33205 0.61033 0.15289 ( -0.09164 4.00000)
12.91187 8.54216 10.48161 0.05407 1.31963 -0.02087 ( -0.09197 4.00000)
8.49467 15.82840 2.99445 0.01477 0.37022 -0.00159 ( -0.09187 4.00000)
1.32045 2.68577 1.08043 0.06658 -2.73841 -1.24976 ( -0.66890 6.00000)
5.44581 4.42337 3.31859 0.07132 -0.91767 -0.00091 ( -0.66435 6.00000)
2.71895 4.15019 2.95898 -0.20824 -0.99214 -0.23508 ( -0.66214 6.00000)
2.89361 2.63574 7.84048 0.43931 -1.07276 -0.10204 ( -0.66645 6.00000)
3.72928 2.61904 13.46082 -0.05266 -2.71882 1.04650 ( -0.66209 6.00000)
1.12195 3.42722 9.72736 -0.06377 -1.59441 -0.92457 ( -0.66627 6.00000)
2.69176 4.49808 11.70258 0.14156 -0.89392 0.06286 ( -0.66528 6.00000)
1.13271 5.33613 0.95032 0.19274 -2.79789 1.45980 ( -0.66691 6.00000)
4.03043 8.42197 5.67301 -0.08435 -2.89504 1.47228 ( -0.66543 6.00000)
3.75157 11.03623 5.64253 -0.00449 -2.67597 -1.16134 ( -0.66991 6.00000)
2.52170 7.25791 7.75547 0.21885 -1.06052 -0.29069 ( -0.66777 6.00000)
17.39856 7.13193 7.68295 -0.23083 -1.09930 -0.22771 ( -0.66748 6.00000)
1.18188 6.06412 9.94036 0.03042 -2.48586 1.11990 ( -0.66535 6.00000)
1.18202 8.73358 9.65531 -0.02147 -3.11129 -1.30119 ( -0.66857 6.00000)
3.91098 11.84592 13.59643 -0.14740 -1.67678 -1.10731 ( -0.65472 6.00000)
5.12928 10.31683 11.41789 0.73220 -1.49844 -0.35841 ( -0.66361 6.00000)
2.50977 10.51875 11.46580 -0.64429 -1.33263 -0.32203 ( -0.66787 6.00000)
17.45087 6.59897 16.12377 0.15152 -1.03923 0.06633 ( -0.66114 6.00000)
3.55980 13.67281 5.25157 0.19408 -1.42913 0.69107 ( -0.66615 6.00000)
1.28803 14.62748 0.64715 0.19744 -2.29524 -1.48541 ( -0.65754 6.00000)
4.98905 14.24610 3.11864 -0.10121 -0.94089 0.09120 ( -0.66101 6.00000)
2.40264 15.06164 3.08512 1.11131 -2.01518 0.77292 ( -0.66786 6.00000)
2.72172 12.72875 7.62075 0.50333 -0.98999 -0.49677 ( -0.65990 6.00000)
1.06333 11.39589 9.35618 -0.19608 -2.79758 1.02981 ( -0.66881 6.00000)
3.61212 17.43666 14.11103 0.15679 -2.85831 -1.03367 ( -0.66734 6.00000)
2.61877 15.69429 12.36150 -0.49368 -1.20342 -0.33420 ( -0.66948 6.00000)
2.80206 13.36593 15.83914 0.02215 -0.88030 0.01632 ( -0.65367 6.00000)
17.47316 13.58140 16.05649 -0.37179 -1.09107 -0.34927 ( -0.66534 6.00000)
9.77890 2.08644 1.42003 -0.00399 -0.74813 -0.15295 ( -0.65834 6.00000)
11.39452 4.37239 2.86549 -0.03223 -0.99110 -0.00992 ( -0.65040 6.00000)
5.75314 2.47184 7.89843 0.17537 -1.03534 0.16974 ( -0.66021 6.00000)
10.58974 3.42804 13.84178 0.16163 -1.99862 1.15986 ( -0.66618 6.00000)
7.29963 3.26088 10.01774 0.07397 -2.33980 -1.20936 ( -0.66845 6.00000)
10.61644 6.04073 13.30213 -0.86020 -2.36964 -0.85863 ( -0.66539 6.00000)
8.72282 4.57356 11.93667 0.13028 -0.91878 0.01325 ( -0.65730 6.00000)
6.87268 5.85394 1.60201 0.35544 -2.42623 1.23247 ( -0.67151 6.00000)
10.69996 7.99849 7.09252 -0.41662 -1.45941 -0.23418 ( -0.65470 6.00000)
5.73707 8.23825 1.01832 0.09528 -2.66459 -0.89824 ( -0.66578 6.00000)
10.63831 11.82289 5.95914 0.04175 -1.47156 -0.51536 ( -0.65864 6.00000)
12.27791 10.92294 3.59234 -0.05017 -0.88259 0.02188 ( -0.66326 6.00000)
7.82470 9.40720 2.06031 -0.39774 -1.09994 -0.17861 ( -0.65744 6.00000)
7.06519 5.95381 10.03323 0.36710 -2.36429 1.26728 ( -0.66352 6.00000)
11.49637 8.56646 14.11248 0.63788 -3.46362 0.21535 ( -0.66926 6.00000)
6.22218 8.54831 9.46647 0.25722 -3.34436 -1.28795 ( -0.66404 6.00000)
10.64255 10.88430 15.28736 0.37123 -1.99997 -0.97106 ( -0.66472 6.00000)
5.27533 6.08183 16.89617 -0.08356 -1.10673 -0.02400 ( -0.66186 6.00000)
6.19392 10.87447 0.49133 -0.36204 -2.21640 1.28204 ( -0.66594 6.00000)
6.63594 13.50144 0.40946 0.08975 -1.32347 -0.30648 ( -0.65659 6.00000)
9.20318 15.33527 4.12194 -0.12827 -0.92843 -0.00524 ( -0.65439 6.00000)
8.65369 12.87516 7.41323 -0.75962 -1.01145 0.19697 ( -0.64957 6.00000)
5.50203 12.61795 6.94111 -0.27374 -0.92316 -0.13453 ( -0.65982 6.00000)
10.10713 13.64215 15.27789 0.01275 -1.37934 0.10629 ( -0.62124 6.00000)
10.67911 0.87544 14.08625 -0.06018 -1.59131 -1.18702 ( -0.66082 6.00000)
11.60356 17.20368 11.75834 0.89634 -1.20061 -0.69447 ( -0.65220 6.00000)
8.39118 11.91622 16.60701 -0.16984 -0.92473 0.11348 ( -0.64500 6.00000)
5.50451 12.34914 15.80657 0.71892 -1.27646 0.69249 ( -0.65765 6.00000)
15.73327 3.04046 5.55542 -0.00714 -2.61934 1.09239 ( -0.66797 6.00000)
16.46394 5.60663 5.46979 -0.14156 -2.43282 -1.20223 ( -0.66620 6.00000)
14.52808 1.45286 7.47168 -0.06377 -0.87132 -0.00131 ( -0.66540 6.00000)
11.79275 1.56088 7.78873 0.16447 -0.98327 0.16691 ( -0.66329 6.00000)
13.32704 0.21681 9.64565 -0.12654 -2.44862 1.28542 ( -0.66893 6.00000)
16.41790 2.90736 14.26355 -0.20216 -2.75893 1.33514 ( -0.65785 6.00000)
13.45171 2.82808 9.57211 -0.01861 -2.11379 -1.16360 ( -0.67139 6.00000)
16.10069 5.57752 13.99343 -0.13270 -3.17000 -1.30528 ( -0.66830 6.00000)
0.00005 4.40711 11.99025 -0.27220 -0.98404 0.16890 ( -0.66455 6.00000)
14.62884 1.73967 16.17160 0.08971 -1.01206 -0.13821 ( -0.66158 6.00000)
11.98368 2.03831 16.06725 0.55172 -1.05410 0.33330 ( -0.66359 6.00000)
15.63239 8.11986 5.68103 0.07678 -2.60192 1.19606 ( -0.66900 6.00000)
17.11138 8.55854 3.60414 0.00469 -1.28723 -0.01825 ( -0.66391 6.00000)
14.79559 9.98222 3.60061 0.97196 -1.93008 0.61778 ( -0.66014 6.00000)
14.83832 6.40254 7.47085 -0.20304 -0.94795 0.15225 ( -0.66213 6.00000)
10.26118 5.42988 7.96507 0.14862 -1.35376 0.30354 ( -0.65358 6.00000)
13.84142 5.42996 10.14226 -0.21333 -1.50758 0.36203 ( -0.65660 6.00000)
12.90067 9.94534 10.26834 -0.21666 -2.20149 -0.39840 ( -0.65786 6.00000)
17.40760 10.25314 11.57387 -0.19177 -1.16829 0.16458 ( -0.67071 6.00000)
14.84553 10.65634 12.01294 0.43115 -1.13760 0.22312 ( -0.66734 6.00000)
12.09160 6.31793 15.56215 -0.10038 -1.11986 0.13385 ( -0.66079 6.00000)
13.66330 11.76838 1.50243 0.33993 -1.58857 0.86760 ( -0.65934 6.00000)
15.90808 14.97969 5.66759 -0.25911 -2.18782 1.56872 ( -0.65403 6.00000)
12.90234 14.38066 1.10662 -0.00516 -3.39294 -1.24860 ( -0.66278 6.00000)
17.39979 15.79595 3.12260 0.31092 -1.06406 -0.20898 ( -0.65159 6.00000)
14.24465 13.87010 7.98683 0.08080 -0.85742 0.02098 ( -0.65380 6.00000)
11.50975 12.98027 8.22780 -0.17899 -1.20222 0.01002 ( -0.65803 6.00000)
13.37751 12.44417 10.26044 0.31755 -2.60072 1.61454 ( -0.66212 6.00000)
15.76289 14.59733 14.23402 0.10651 -2.95993 1.44801 ( -0.66491 6.00000)
17.35248 15.55367 12.27553 0.31503 -1.06205 -0.18141 ( -0.66414 6.00000)
11.51892 12.39014 17.28946 -0.50227 -1.03648 -0.33089 ( -0.65302 6.00000)
2.14782 0.44560 2.19550 -0.10588 -0.02551 -0.04494 ( -0.02076 1.00000)
3.29477 2.11300 4.94555 -0.09296 -0.03390 -0.03260 ( -0.02065 1.00000)
2.45654 5.15830 5.71352 -0.10382 -0.03545 -0.02821 ( -0.02056 1.00000)
17.13665 1.28635 8.55333 -0.07883 0.05261 0.02639 ( -0.02066 1.00000)
2.05496 17.16622 9.63831 -0.02988 0.09279 -0.00443 ( -0.02102 1.00000)
2.76007 4.61458 14.97268 -0.13737 0.04882 -0.01092 ( -0.02079 1.00000)
5.82104 5.64963 12.65472 -0.05700 -0.07628 -0.10796 ( -0.02064 1.00000)
1.99867 2.73895 15.76239 0.05388 -0.06128 0.05020 ( -0.02057 1.00000)
16.62702 0.41219 17.23014 -0.06246 0.00614 0.05280 ( -0.02071 1.00000)
0.53299 8.97932 0.15968 0.02406 -0.04484 0.07023 ( -0.02080 1.00000)
6.28070 9.99466 4.05905 0.01629 0.09087 -0.00124 ( -0.02071 1.00000)
2.80484 10.34140 2.60493 -0.01597 0.02264 0.11295 ( -0.02067 1.00000)
5.85876 7.59725 14.24081 0.06931 0.09883 -0.04191 ( -0.02100 1.00000)
2.33378 8.07412 16.06384 -0.00388 -0.09980 0.07491 ( -0.02069 1.00000)
0.72196 11.42800 1.39191 -0.00179 0.10165 -0.05263 ( -0.02111 1.00000)
4.17641 17.36384 8.00554 0.00763 -0.03648 0.10492 ( -0.02105 1.00000)
0.17664 14.81238 7.80592 -0.03146 -0.11417 -0.02342 ( -0.02063 1.00000)
5.28314 15.15948 14.98492 -0.08702 0.01178 -0.04147 ( -0.02055 1.00000)
1.99589 13.21868 11.02572 0.04878 -0.01579 0.07042 ( -0.02084 1.00000)
4.90269 16.46159 10.85427 -0.04455 0.06708 -0.07218 ( -0.02061 1.00000)
11.44760 2.27402 4.62061 0.11178 -0.00566 -0.05435 ( -0.02069 1.00000)
6.42001 2.18281 1.50214 -0.10107 -0.06133 0.04256 ( -0.02069 1.00000)
11.20298 6.44871 5.00937 -0.07635 0.02213 -0.02138 ( -0.02068 1.00000)
8.23943 2.94593 3.71752 -0.09249 -0.13862 0.07397 ( -0.02073 1.00000)
9.07830 3.43667 7.86385 0.11425 0.02783 0.04415 ( -0.02050 1.00000)
8.13841 17.45818 9.05432 0.07061 0.01853 0.01387 ( -0.02071 1.00000)
11.09062 4.59939 10.31069 0.00984 0.07444 0.04809 ( -0.02044 1.00000)
8.29143 2.75175 15.42638 0.01536 0.09856 -0.00150 ( -0.02068 1.00000)
8.82941 17.22992 17.22214 0.06981 -0.02258 -0.03517 ( -0.02091 1.00000)
7.50840 7.62286 6.62087 0.00163 0.06986 0.04203 ( -0.02062 1.00000)
4.60511 5.74329 8.41778 -0.03545 -0.01133 0.07018 ( -0.02060 1.00000)
12.92668 11.75537 13.63632 -0.04072 0.01037 -0.02938 ( -0.02067 1.00000)
8.02117 10.55523 12.10517 -0.07705 -0.02342 -0.12058 ( -0.02102 1.00000)
8.67556 7.71636 17.49570 -0.07009 0.09298 -0.00067 ( -0.02086 1.00000)
11.47875 15.24589 6.91703 -0.11146 -0.01008 -0.05240 ( -0.02094 1.00000)
9.35972 16.97903 6.56192 -0.11122 -0.04532 0.02043 ( -0.02071 1.00000)
11.03713 17.07922 2.67792 0.05651 -0.02178 0.06539 ( -0.02062 1.00000)
7.42775 12.08916 10.09180 -0.05811 0.03383 -0.03412 ( -0.02061 1.00000)
7.92017 14.83580 12.09082 0.02072 -0.00791 0.00576 ( -0.02081 1.00000)
8.50905 1.48718 11.99359 0.00895 0.03484 -0.06308 ( -0.02011 1.00000)
13.83892 16.58967 17.12637 0.05688 -0.07953 -0.03767 ( -0.02075 1.00000)
14.18064 2.16404 1.76300 0.08768 0.01719 0.00514 ( -0.02061 1.00000)
0.22637 2.85420 3.74771 0.06440 -0.10283 0.06624 ( -0.02073 1.00000)
13.55731 4.46328 4.56374 0.01395 0.08984 0.06584 ( -0.02079 1.00000)
13.93368 3.48067 13.12140 -0.03793 0.10355 -0.00175 ( -0.02061 1.00000)
14.29477 4.78199 0.25086 0.13341 -0.03900 0.00712 ( -0.02065 1.00000)
12.05112 9.01860 17.04503 0.03716 -0.01124 0.01106 ( -0.02084 1.00000)
16.27694 10.80430 6.52497 0.02748 0.15145 -0.08448 ( -0.02104 1.00000)
16.72250 7.84092 12.70809 0.07666 -0.07963 -0.04128 ( -0.02074 1.00000)
0.08131 12.14367 13.72814 -0.10155 -0.01550 -0.04370 ( -0.02058 1.00000)
15.18747 8.06134 16.77823 -0.01128 -0.01018 -0.08598 ( -0.02062 1.00000)
15.33129 0.80027 4.23469 0.06107 -0.03007 -0.00924 ( -0.02071 1.00000)
15.22283 14.74953 2.39790 0.05176 -0.03856 -0.07256 ( -0.02073 1.00000)
11.52991 14.60593 10.60396 -0.09485 0.06742 0.00683 ( -0.02061 1.00000)
14.54913 0.08259 13.94141 -0.03196 0.02140 -0.03792 ( -0.02068 1.00000)
13.64918 15.17179 12.57877 -0.02988 0.00609 0.03582 ( -0.02045 1.00000)
14.26990 11.73639 16.04700 -0.08489 -0.16173 -0.12661 ( -0.02075 1.00000)
2.83011 17.00291 0.89614 0.07731 0.03278 -0.01621 ( -0.02063 1.00000)
5.01762 2.19884 4.72481 0.08781 -0.03876 -0.04593 ( -0.02075 1.00000)
2.72197 6.40768 4.52960 0.11857 0.00686 0.03654 ( -0.02071 1.00000)
0.61592 0.85326 7.17988 0.08703 -0.07140 -0.04373 ( -0.02068 1.00000)
1.05804 0.47662 10.87149 0.01359 -0.07997 -0.03886 ( -0.02089 1.00000)
2.72869 6.02833 13.97220 0.12006 -0.06031 0.03393 ( -0.02058 1.00000)
6.27365 4.07474 13.21275 0.02375 0.07515 0.11983 ( -0.02068 1.00000)
3.39789 2.54642 16.78232 -0.06839 -0.00862 -0.06062 ( -0.02064 1.00000)
0.26647 0.03376 15.97352 0.02606 -0.05757 -0.04081 ( -0.02053 1.00000)
16.86896 8.04953 1.06168 0.00736 0.06380 -0.03608 ( -0.02064 1.00000)
5.26691 11.21282 3.35522 -0.08231 -0.09776 -0.03500 ( -0.02060 1.00000)
1.79651 10.63408 3.97172 0.03439 -0.10059 -0.05060 ( -0.02068 1.00000)
4.24367 8.25477 13.91418 0.06112 0.10487 0.03485 ( -0.02100 1.00000)
3.20146 7.72932 0.04071 0.01933 -0.02057 -0.06634 ( -0.02058 1.00000)
17.29565 11.52683 2.88643 0.03604 -0.08046 -0.09278 ( -0.02114 1.00000)
5.09458 17.34903 6.48077 0.07281 0.06134 -0.02275 ( -0.02097 1.00000)
16.80060 13.95067 9.04167 0.05197 0.03740 -0.00391 ( -0.02068 1.00000)
5.65314 14.35380 13.49055 0.05320 0.03230 0.00437 ( -0.02070 1.00000)
2.85103 14.37043 10.06567 -0.08452 0.04855 -0.01816 ( -0.02072 1.00000)
4.88020 0.46410 11.72901 0.06538 -0.06434 0.15082 ( -0.02065 1.00000)
11.82432 3.49932 5.78478 -0.13633 -0.03403 -0.00455 ( -0.02073 1.00000)
6.33916 3.40343 0.25044 0.04342 0.12204 0.02642 ( -0.02060 1.00000)
9.59394 6.71839 4.41200 0.02112 -0.03184 0.04724 ( -0.02055 1.00000)
7.91802 4.38505 4.66043 0.01077 0.08717 -0.08137 ( -0.02069 1.00000)
8.23543 2.62518 6.58554 0.01566 0.04318 0.01773 ( -0.02066 1.00000)
6.41431 17.32071 8.88054 -0.07013 0.02144 -0.07832 ( -0.02063 1.00000)
11.14557 3.00954 10.98712 -0.10617 -0.18810 -0.11393 ( -0.02076 1.00000)
9.36027 3.86210 16.23230 0.00695 -0.07183 0.00767 ( -0.02050 1.00000)
7.53966 17.41529 0.94072 -0.06410 0.04100 0.05520 ( -0.02108 1.00000)
8.48774 8.36338 7.84778 -0.01314 -0.09647 0.00360 ( -0.02061 1.00000)
5.72768 5.64505 7.08615 0.04308 -0.05889 -0.08339 ( -0.02074 1.00000)
11.53162 12.14308 12.66419 0.03594 -0.04684 -0.00627 ( -0.02052 1.00000)
7.77778 8.79967 12.01567 0.08006 -0.03549 0.14951 ( -0.02093 1.00000)
7.67148 7.97660 16.05599 -0.00655 0.00765 0.10985 ( -0.02096 1.00000)
11.96712 14.11387 5.69832 0.07843 -0.03630 0.03802 ( -0.02059 1.00000)
9.20674 0.45352 5.13285 0.12773 -0.02685 0.04070 ( -0.02061 1.00000)
12.42086 17.27854 3.71166 -0.07959 -0.08648 -0.07204 ( -0.02069 1.00000)
5.72984 12.20671 9.71226 0.08697 -0.07859 0.01528 ( -0.02058 1.00000)
7.06651 14.59485 10.54611 -0.07016 0.00698 -0.00642 ( -0.02101 1.00000)
8.18003 0.43236 13.34917 0.05441 0.08843 -0.00182 ( -0.02050 1.00000)
12.13433 16.79403 17.35819 -0.05736 -0.00756 0.02651 ( -0.02057 1.00000)
12.47800 1.85419 1.86970 -0.06430 -0.05547 0.02744 ( -0.02068 1.00000)
16.61133 3.22326 2.47663 -0.06726 -0.00751 -0.06283 ( -0.02072 1.00000)
14.18380 5.80672 3.64923 0.06538 -0.14845 -0.07745 ( -0.02065 1.00000)
14.87276 2.50739 12.03337 -0.02898 -0.12636 -0.04721 ( -0.02070 1.00000)
14.23243 6.19147 1.27631 -0.15127 -0.06319 -0.04793 ( -0.02069 1.00000)
12.93327 8.58137 1.02753 -0.04063 0.10150 -0.03795 ( -0.02099 1.00000)
0.31818 10.15222 5.96061 0.10673 0.05927 0.04064 ( -0.02093 1.00000)
0.23893 8.66414 13.84372 -0.08934 0.00558 0.03074 ( -0.02068 1.00000)
17.08408 11.06555 14.99139 0.12880 -0.00767 0.04521 ( -0.02075 1.00000)
14.24371 8.22849 15.33189 -0.00204 -0.08912 0.07951 ( -0.02070 1.00000)
17.03243 0.72423 4.52831 -0.11750 -0.00794 0.00652 ( -0.02069 1.00000)
14.06257 14.70897 3.69175 -0.04675 -0.01326 0.06013 ( -0.02066 1.00000)
11.55248 15.52990 9.11606 0.08314 0.00255 0.04864 ( -0.02080 1.00000)
15.79992 0.71375 12.92180 0.01192 0.00187 0.05933 ( -0.02075 1.00000)
14.66771 14.92743 11.20480 0.01622 -0.06733 -0.03183 ( -0.02060 1.00000)
13.59723 13.22883 15.45681 0.04835 0.10734 0.05584 ( -0.02061 1.00000)
0.28893 16.96969 9.61776 0.00066 0.15233 -0.03392 ( -0.02106 1.00000)
5.14861 8.79609 15.34428 -0.05527 -0.04349 -0.04701 ( -0.02091 1.00000)
16.57887 10.76457 1.44815 -0.03525 0.10957 -0.00645 ( -0.02104 1.00000)
3.32280 17.43531 6.45000 -0.06064 0.09478 -0.02146 ( -0.02101 1.00000)
7.22345 0.33037 16.74849 -0.00680 0.09875 0.00800 ( -0.02094 1.00000)
8.80270 9.61454 10.81195 0.04591 0.08015 0.01528 ( -0.02096 1.00000)
8.32656 6.35754 16.39008 0.12363 -0.04770 -0.12980 ( -0.02103 1.00000)
8.73549 15.20213 10.55252 0.01026 0.08697 0.00504 ( -0.02102 1.00000)
11.35757 7.84337 0.68199 -0.07189 0.09142 0.03726 ( -0.02092 1.00000)
17.07689 11.54135 5.11708 -0.11533 -0.10786 0.09689 ( -0.02116 1.00000)
1.05898 4.30352 7.32607 -0.05807 -0.42955 -0.01604 ( -0.02018 1.00000)
4.03509 12.56543 11.20951 -0.01009 -0.36430 -0.01535 ( -0.02038 1.00000)
2.98241 12.61908 2.99845 0.02305 -0.39491 0.01541 ( -0.02028 1.00000)
13.02951 6.77394 13.23542 -0.02286 -0.38789 -0.04394 ( -0.02023 1.00000)
9.81405 10.04557 13.02717 -0.02057 -0.40423 0.00540 ( -0.02045 1.00000)
14.38062 12.44509 3.83928 0.01932 -0.40423 -0.02773 ( -0.02024 1.00000)
15.29130 12.60070 6.14349 -0.03884 -0.31928 0.02990 ( -0.02035 1.00000)
1.51212 12.17674 0.04632 -0.00373 -0.39952 -0.02441 ( -0.02050 1.00000)
5.20365 1.54821 15.21091 -0.00604 -0.37345 0.00145 ( -0.02022 1.00000)
6.79297 14.20253 8.32851 -0.03493 -0.49814 0.03914 ( -0.02024 1.00000)
11.61515 7.96197 6.76612 0.12575 0.43916 0.01629 ( -0.01937 1.00000)
10.25461 10.96603 6.21744 -0.00577 0.43965 0.02498 ( -0.01912 1.00000)
11.90891 11.26603 4.43245 -0.10616 0.37291 0.14940 ( -0.01828 1.00000)
8.53540 10.78259 3.48001 0.01255 -0.00884 -0.12037 ( -0.02167 1.00000)
9.76681 9.93079 2.50215 0.03053 0.03552 -0.00434 ( -0.02161 1.00000)
8.80784 11.23977 1.76494 -0.01736 -0.10432 0.08896 ( -0.02157 1.00000)
14.97448 6.01037 8.35394 0.09836 0.35880 -0.11792 ( -0.01875 1.00000)
10.93413 4.83383 7.59381 0.09369 0.36737 0.02297 ( -0.01945 1.00000)
13.14865 5.92816 9.67432 0.01737 0.53455 0.01233 ( -0.01925 1.00000)
12.65000 8.06887 9.52187 -0.06604 -0.12896 -0.21335 ( -0.02174 1.00000)
13.90414 8.18239 10.79823 0.14216 -0.03875 0.07531 ( -0.02161 1.00000)
12.16474 8.24325 11.23577 -0.11576 -0.07835 0.11893 ( -0.02171 1.00000)
5.27827 14.04824 2.20496 -0.04138 0.38305 0.05823 ( -0.01848 1.00000)
10.20084 2.92381 1.69633 0.04989 0.29849 0.14647 ( -0.01882 1.00000)
7.46833 14.00510 0.41146 -0.00683 0.42767 0.08641 ( -0.01930 1.00000)
7.48179 15.39929 3.01468 -0.02026 0.07216 0.02327 ( -0.02153 1.00000)
8.41010 16.93048 3.00754 0.00148 -0.23136 -0.06190 ( -0.02171 1.00000)
8.99741 15.53505 2.05618 0.03116 0.06336 -0.05150 ( -0.02166 1.00000)
-----------------------------------------------------------------------------------------
total drift (improves with k-points): 0.00208 1.09101 0.00328
--------------------------------------------------------------------------------------------------------
Linear response to external field, progress :
Direction: 3
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 3( 1) ---------------------------------------
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -22.51980393
---------------------------------------------------
free energy TOTEN = -22.51980393 eV
energy without entropy = -22.51980393
----------------------------------------- Iteration 3( 2) ---------------------------------------
Broyden mixing:
rms(total) = 0.85010E+00 rms(broyden)= 0.84882E+00
rms(prec ) = 0.97328E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = 0.00000000
-V(xc)+E(xc) XCENC = 0.00000000
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -23.21731578
---------------------------------------------------
free energy TOTEN = -23.21731578 eV
energy without entropy = -23.21731578
----------------------------------------- Iteration 3( 3) ---------------------------------------
Broyden mixing:
rms(total) = 0.46557E+00 rms(broyden)= 0.46550E+00
rms(prec ) = 0.53369E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7485
1.7485
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.77430198
-V(xc)+E(xc) XCENC = 3.15613146
PAW double counting = 2.07137498 -2.07208463
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -20.75345756
---------------------------------------------------
free energy TOTEN = -18.37233773 eV
energy without entropy = -18.37233773
----------------------------------------- Iteration 3( 4) ---------------------------------------
Broyden mixing:
rms(total) = 0.13679E+00 rms(broyden)= 0.13672E+00
rms(prec ) = 0.16143E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5640
0.9771 2.1508
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -2.87781952
-V(xc)+E(xc) XCENC = 12.62488963
PAW double counting = 7.44800546 -7.44481839
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -19.12807856
---------------------------------------------------
free energy TOTEN = -9.37782137 eV
energy without entropy = -9.37782137
----------------------------------------- Iteration 3( 5) ---------------------------------------
Broyden mixing:
rms(total) = 0.66681E-01 rms(broyden)= 0.66636E-01
rms(prec ) = 0.80224E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6763
0.8615 2.0838 2.0838
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.64887423
-V(xc)+E(xc) XCENC = 16.63059229
PAW double counting = 9.13975082 -9.13450806
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.83714347
---------------------------------------------------
free energy TOTEN = -5.85018266 eV
energy without entropy = -5.85018266
----------------------------------------- Iteration 3( 6) ---------------------------------------
Broyden mixing:
rms(total) = 0.18411E-01 rms(broyden)= 0.18398E-01
rms(prec ) = 0.29788E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6190
2.2650 2.2650 0.8466 1.0994
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.79015652
-V(xc)+E(xc) XCENC = 18.06829178
PAW double counting = 9.25375433 -9.24729493
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.87412227
---------------------------------------------------
free energy TOTEN = -4.58952761 eV
energy without entropy = -4.58952761
----------------------------------------- Iteration 3( 7) ---------------------------------------
Broyden mixing:
rms(total) = 0.10960E-01 rms(broyden)= 0.10954E-01
rms(prec ) = 0.18177E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7018
2.5264 2.5264 1.5682 0.8458 1.0423
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.89283621
-V(xc)+E(xc) XCENC = 18.71366328
PAW double counting = 9.22967508 -9.22306976
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.84290470
---------------------------------------------------
free energy TOTEN = -4.01547231 eV
energy without entropy = -4.01547231
----------------------------------------- Iteration 3( 8) ---------------------------------------
Broyden mixing:
rms(total) = 0.42808E-02 rms(broyden)= 0.42734E-02
rms(prec ) = 0.77483E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7450
3.3035 2.4349 1.8251 0.8646 0.9309 1.1112
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.92936587
-V(xc)+E(xc) XCENC = 18.91909313
PAW double counting = 8.93573592 -8.92930365
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.82086404
---------------------------------------------------
free energy TOTEN = -3.82470452 eV
energy without entropy = -3.82470452
----------------------------------------- Iteration 3( 9) ---------------------------------------
Broyden mixing:
rms(total) = 0.27442E-02 rms(broyden)= 0.27402E-02
rms(prec ) = 0.43314E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8140
3.8376 2.4472 2.0267 1.6336 1.0515 0.8507 0.8507
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.94253586
-V(xc)+E(xc) XCENC = 18.97079167
PAW double counting = 8.85872584 -8.85233465
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80945277
---------------------------------------------------
free energy TOTEN = -3.77480577 eV
energy without entropy = -3.77480577
----------------------------------------- Iteration 3( 10) ---------------------------------------
Broyden mixing:
rms(total) = 0.12582E-02 rms(broyden)= 0.12560E-02
rms(prec ) = 0.19494E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8976
4.4795 2.7204 2.3493 1.6471 1.2966 0.9899 0.8490 0.8490
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.94051798
-V(xc)+E(xc) XCENC = 18.93137321
PAW double counting = 8.86012563 -8.85373123
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80438688
---------------------------------------------------
free energy TOTEN = -3.80713725 eV
energy without entropy = -3.80713725
----------------------------------------- Iteration 3( 11) ---------------------------------------
Broyden mixing:
rms(total) = 0.54092E-03 rms(broyden)= 0.53947E-03
rms(prec ) = 0.79153E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9156
4.8974 2.9947 2.3764 1.8308 1.3864 1.1000 0.9798 0.8529 0.8216
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93891902
-V(xc)+E(xc) XCENC = 18.89967517
PAW double counting = 8.87624702 -8.86985053
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80158914
---------------------------------------------------
free energy TOTEN = -3.83443650 eV
energy without entropy = -3.83443650
----------------------------------------- Iteration 3( 12) ---------------------------------------
Broyden mixing:
rms(total) = 0.26272E-03 rms(broyden)= 0.26226E-03
rms(prec ) = 0.37661E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9564
5.2304 3.1839 2.3879 2.1262 1.7277 1.1383 1.1383 0.9479 0.8593 0.8242
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93710407
-V(xc)+E(xc) XCENC = 18.88611637
PAW double counting = 8.88746346 -8.88105929
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80213578
---------------------------------------------------
free energy TOTEN = -3.84671930 eV
energy without entropy = -3.84671930
----------------------------------------- Iteration 3( 13) ---------------------------------------
Broyden mixing:
rms(total) = 0.10558E-03 rms(broyden)= 0.10539E-03
rms(prec ) = 0.16172E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9425
5.3334 3.3976 2.5441 2.3351 1.7115 1.3878 1.0235 1.0235 0.9277 0.8633
0.8198
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93686710
-V(xc)+E(xc) XCENC = 18.88300674
PAW double counting = 8.89028982 -8.88388689
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80223703
---------------------------------------------------
free energy TOTEN = -3.84969445 eV
energy without entropy = -3.84969445
----------------------------------------- Iteration 3( 14) ---------------------------------------
Broyden mixing:
rms(total) = 0.57900E-04 rms(broyden)= 0.57835E-04
rms(prec ) = 0.88387E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9425
5.3751 3.5806 2.7683 2.3320 1.8818 1.5786 1.2607 1.0561 0.9837 0.8481
0.8481 0.7970
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93685389
-V(xc)+E(xc) XCENC = 18.88316911
PAW double counting = 8.89056823 -8.88416552
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80232213
---------------------------------------------------
free energy TOTEN = -3.84960421 eV
energy without entropy = -3.84960421
----------------------------------------- Iteration 3( 15) ---------------------------------------
Broyden mixing:
rms(total) = 0.27907E-04 rms(broyden)= 0.27865E-04
rms(prec ) = 0.42853E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9386
5.5068 3.7563 2.9526 2.3639 2.0926 1.7246 1.1859 1.1859 1.0439 0.9693
0.8441 0.8338 0.7417
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93703147
-V(xc)+E(xc) XCENC = 18.88422539
PAW double counting = 8.88980987 -8.88340711
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80207001
---------------------------------------------------
free energy TOTEN = -3.84847333 eV
energy without entropy = -3.84847333
----------------------------------------- Iteration 3( 16) ---------------------------------------
Broyden mixing:
rms(total) = 0.15696E-04 rms(broyden)= 0.15674E-04
rms(prec ) = 0.23320E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9659
5.5146 4.1102 3.1067 2.5238 2.2731 1.8319 1.5462 1.1943 1.0492 1.0492
0.9498 0.8520 0.8253 0.6956
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704488
-V(xc)+E(xc) XCENC = 18.88457220
PAW double counting = 8.88931943 -8.88291681
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80201637
---------------------------------------------------
free energy TOTEN = -3.84808642 eV
energy without entropy = -3.84808642
----------------------------------------- Iteration 3( 17) ---------------------------------------
Broyden mixing:
rms(total) = 0.79623E-05 rms(broyden)= 0.79456E-05
rms(prec ) = 0.11073E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9571
5.5592 4.3711 3.2769 2.6462 2.3370 1.8829 1.7204 1.1832 1.1832 0.9741
0.9741 0.9144 0.8513 0.8214 0.6609
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704580
-V(xc)+E(xc) XCENC = 18.88468728
PAW double counting = 8.88915313 -8.88275083
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80222716
---------------------------------------------------
free energy TOTEN = -3.84818338 eV
energy without entropy = -3.84818338
----------------------------------------- Iteration 3( 18) ---------------------------------------
Broyden mixing:
rms(total) = 0.46820E-05 rms(broyden)= 0.46725E-05
rms(prec ) = 0.62987E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9431
5.5752 4.5462 3.3603 2.7574 2.3264 2.1016 1.7447 1.3507 1.2414 1.0344
1.0202 0.9534 0.8592 0.8283 0.7672 0.6234
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93705084
-V(xc)+E(xc) XCENC = 18.88472151
PAW double counting = 8.88918014 -8.88277753
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80238679
---------------------------------------------------
free energy TOTEN = -3.84831351 eV
energy without entropy = -3.84831351
----------------------------------------- Iteration 3( 19) ---------------------------------------
Broyden mixing:
rms(total) = 0.34252E-05 rms(broyden)= 0.34191E-05
rms(prec ) = 0.42372E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9326
5.6371 4.6954 3.4811 2.8537 2.3837 2.2463 1.7872 1.6302 1.1640 1.1640
0.9760 0.9760 0.9101 0.8621 0.8212 0.7027 0.5635
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704352
-V(xc)+E(xc) XCENC = 18.88467334
PAW double counting = 8.88923470 -8.88283194
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80248283
---------------------------------------------------
free energy TOTEN = -3.84845025 eV
energy without entropy = -3.84845025
----------------------------------------- Iteration 3( 20) ---------------------------------------
Broyden mixing:
rms(total) = 0.26595E-05 rms(broyden)= 0.26550E-05
rms(prec ) = 0.30185E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8694
5.6441 4.7430 3.5084 2.8575 2.3851 2.2588 1.8300 1.6265 1.2190 1.1247
0.9871 0.9871 0.9421 0.8651 0.8248 0.7608 0.6425 0.4427
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704341
-V(xc)+E(xc) XCENC = 18.88466499
PAW double counting = 8.88925886 -8.88285590
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80238213
---------------------------------------------------
free energy TOTEN = -3.84835759 eV
energy without entropy = -3.84835759
----------------------------------------- Iteration 3( 21) ---------------------------------------
Broyden mixing:
rms(total) = 0.41027E-05 rms(broyden)= 0.41007E-05
rms(prec ) = 0.42608E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8084
5.6478 4.7834 3.5354 2.8860 2.4101 2.2493 1.8787 1.6456 1.2562 1.0708
1.0708 1.0178 0.9327 0.8683 0.8274 0.7798 0.6474 0.4407 0.4116
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704390
-V(xc)+E(xc) XCENC = 18.88466239
PAW double counting = 8.88925575 -8.88285326
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80231480
---------------------------------------------------
free energy TOTEN = -3.84829381 eV
energy without entropy = -3.84829381
----------------------------------------- Iteration 3( 22) ---------------------------------------
Broyden mixing:
rms(total) = 0.55419E-05 rms(broyden)= 0.55410E-05
rms(prec ) = 0.56819E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7443
5.6236 4.8112 3.5452 2.9088 2.4282 2.2872 1.8811 1.6634 1.2327 1.1362
1.0160 1.0160 0.9453 0.8603 0.8291 0.7866 0.6614 0.4885 0.3824 0.3824
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704411
-V(xc)+E(xc) XCENC = 18.88466213
PAW double counting = 8.88925766 -8.88285479
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80228606
---------------------------------------------------
free energy TOTEN = -3.84826518 eV
energy without entropy = -3.84826518
----------------------------------------- Iteration 3( 23) ---------------------------------------
Broyden mixing:
rms(total) = 0.65790E-05 rms(broyden)= 0.65783E-05
rms(prec ) = 0.67055E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6683
5.6241 4.8141 3.5495 2.9102 2.4297 2.2899 1.8845 1.6640 1.2375 1.1370
1.0176 1.0176 0.9465 0.8596 0.8297 0.7887 0.6629 0.4910 0.4182 0.4182
0.0430
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704397
-V(xc)+E(xc) XCENC = 18.88466100
PAW double counting = 8.88925919 -8.88285632
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80250571
---------------------------------------------------
free energy TOTEN = -3.84848581 eV
energy without entropy = -3.84848581
----------------------------------------- Iteration 3( 24) ---------------------------------------
Broyden mixing:
rms(total) = 0.72470E-05 rms(broyden)= 0.72464E-05
rms(prec ) = 0.73809E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6022
5.6221 4.8166 3.5510 2.9123 2.4330 2.2919 1.8816 1.6662 1.2301 1.1478
1.0146 1.0146 0.9479 0.8583 0.8305 0.7919 0.6661 0.4974 0.1779 0.3877
0.3877 0.1218
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704404
-V(xc)+E(xc) XCENC = 18.88466119
PAW double counting = 8.88925868 -8.88285591
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80255967
---------------------------------------------------
free energy TOTEN = -3.84853976 eV
energy without entropy = -3.84853976
----------------------------------------- Iteration 3( 25) ---------------------------------------
Broyden mixing:
rms(total) = 0.76568E-05 rms(broyden)= 0.76563E-05
rms(prec ) = 0.77917E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5599
5.6062 4.8251 3.5573 2.9066 2.4724 2.2773 1.8871 1.6719 1.1897 1.1897
1.0128 1.0128 0.9434 0.8591 0.8275 0.7836 0.6633 0.5244 0.5244 0.4947
0.2028 0.2028 0.2440
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704405
-V(xc)+E(xc) XCENC = 18.88466133
PAW double counting = 8.88926005 -8.88285753
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80263598
---------------------------------------------------
free energy TOTEN = -3.84861619 eV
energy without entropy = -3.84861619
----------------------------------------- Iteration 3( 26) ---------------------------------------
Broyden mixing:
rms(total) = 0.82690E-05 rms(broyden)= 0.82685E-05
rms(prec ) = 0.84294E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5066
5.6023 4.8250 3.5583 2.9019 2.4741 2.2722 1.8879 1.6712 1.1896 1.1896
1.0116 1.0116 0.9403 0.8599 0.8269 0.7823 0.6618 0.2957 0.4914 0.4723
0.4723 0.2372 0.2372 0.2865
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704455
-V(xc)+E(xc) XCENC = 18.88466407
PAW double counting = 8.88926194 -8.88285959
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80265323
---------------------------------------------------
free energy TOTEN = -3.84863135 eV
energy without entropy = -3.84863135
----------------------------------------- Iteration 3( 27) ---------------------------------------
Broyden mixing:
rms(total) = 0.85168E-05 rms(broyden)= 0.85164E-05
rms(prec ) = 0.86696E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4593
5.5977 4.8325 3.5667 2.9111 2.4668 2.2756 1.8884 1.6719 1.1889 1.1889
1.0130 1.0130 0.9385 0.8593 0.8275 0.7837 0.6646 0.2964 0.2964 0.4930
0.4326 0.4326 0.2607 0.2607 0.3207
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704459
-V(xc)+E(xc) XCENC = 18.88466431
PAW double counting = 8.88926139 -8.88285854
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80269433
---------------------------------------------------
free energy TOTEN = -3.84867176 eV
energy without entropy = -3.84867176
----------------------------------------- Iteration 3( 28) ---------------------------------------
Broyden mixing:
rms(total) = 0.91386E-05 rms(broyden)= 0.91382E-05
rms(prec ) = 0.93080E-05
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4195
5.5930 4.8377 3.5652 2.9190 2.4595 2.2775 1.8915 1.6705 1.2041 1.1692
1.0143 1.0143 0.9381 0.8600 0.8279 0.7816 0.6610 0.4974 0.4974 0.2309
0.2924 0.2924 0.4805 0.2903 0.2903 0.3512
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -3.93704445
-V(xc)+E(xc) XCENC = 18.88466352
PAW double counting = 8.88926060 -8.88285786
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -18.80266525
---------------------------------------------------
free energy TOTEN = -3.84864345 eV
energy without entropy = -3.84864345
------------------------ aborting loop because EDIFF is reached ----------------------------------------
change of polarisation eV/A/(eV/A) component 3 : -0.583 -0.131 40.908
dielectric tensor component 3 : -0.020 -0.004 2.381
--------------------------------------------------------------------------------------------------------
PIEZOELECTRIC TENSOR FIELD DIRECTION 3 (e Angst)
-----------------------------------------------------------------------------
-1.75110 8.83138 -0.88133 ( -0.46415 0.68880 -0.28929)
8.83137 2.62999 0.36000 ( 0.68880 -0.05623 -0.01382)
-0.88136 0.36002 -5.76336 ( -0.28929 -0.01382 -0.25180)
PIEZOELECTRIC TENSOR FIELD DIRECTION 3 (C/m^2)
-----------------------------------------------------------------------------
-0.00523 0.02640 -0.00263
0.02640 0.00786 0.00108
-0.00263 0.00108 -0.01723
POSITION DIRECTION 3 BORN EFFECTIVE CHARGE (rigid.aug. ionic)
-----------------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.07706 0.35125 2.93899 ( 0.20399 4.00000)
4.30302 2.15352 7.05746 0.38439 -0.06609 2.66829 ( 0.19858 4.00000)
1.30883 4.06731 2.03161 0.52792 0.13329 3.69360 ( 0.18506 4.00000)
3.96992 4.32885 4.13194 -0.15958 -0.12380 3.10041 ( 0.19563 4.00000)
1.29275 3.05683 8.10201 -0.20767 0.61860 2.71076 ( 0.19991 4.00000)
3.79636 1.47547 14.70421 -0.34662 0.54474 2.78848 ( 0.19978 4.00000)
1.24643 4.63551 10.86193 0.16787 -0.14467 4.38657 ( 0.17372 4.00000)
3.89005 4.20092 12.88287 -0.11855 -0.52180 3.03081 ( 0.19650 4.00000)
1.04482 6.69020 17.44020 0.10191 -0.34940 3.20967 ( 0.19768 4.00000)
3.77370 7.04599 6.61024 -0.17189 -0.59943 3.18704 ( 0.19603 4.00000)
0.71312 9.21049 2.53845 0.11909 0.16904 2.60173 ( 0.20867 4.00000)
3.86880 9.70388 4.59023 -0.07886 -0.35602 3.20184 ( 0.19611 4.00000)
1.19399 7.29663 8.75952 -0.06882 0.20982 4.02435 ( 0.17112 4.00000)
4.14925 6.52609 15.71477 0.47906 0.37558 2.71339 ( 0.20783 4.00000)
1.16791 10.19708 10.50563 -0.64023 0.30202 3.81458 ( 0.17380 4.00000)
3.90202 11.30466 11.97145 -0.16945 0.88625 3.16729 ( 0.18914 4.00000)
1.41963 13.48240 16.88000 -0.22151 0.70734 3.38800 ( 0.18917 4.00000)
3.89470 12.50036 6.39588 0.27354 0.41768 4.06813 ( 0.17420 4.00000)
1.24092 15.65995 2.03746 -0.65376 0.00934 3.68578 ( 0.18621 4.00000)
3.45676 13.88732 3.60018 0.31588 -0.70925 3.00070 ( 0.19380 4.00000)
1.37686 12.90671 8.69683 -0.26147 -0.39107 3.12551 ( 0.19523 4.00000)
4.20896 12.98001 14.89140 -0.04284 0.23062 3.71432 ( 0.18454 4.00000)
1.28271 15.54574 11.35729 -0.34572 0.38281 2.81786 ( 0.19837 4.00000)
4.02704 16.14416 13.12883 0.37599 0.27164 2.83232 ( 0.19681 4.00000)
8.51844 2.13686 0.32759 -0.18325 -0.04226 2.48491 ( 0.20911 4.00000)
10.42520 1.68659 6.72748 0.23455 0.15033 2.67832 ( 0.20522 4.00000)
6.89192 4.41938 2.41726 -0.18377 -0.41769 3.25812 ( 0.19667 4.00000)
10.22536 4.35381 4.16682 -0.08810 0.25889 2.65643 ( 0.20536 4.00000)
7.19238 2.15284 8.75827 0.18883 -0.28018 3.15221 ( 0.19654 4.00000)
10.67141 2.29852 15.08728 0.38542 0.34314 4.15662 ( 0.18925 4.00000)
7.24075 4.59797 11.01224 0.29525 -0.12578 3.74507 ( 0.18558 4.00000)
10.30176 4.56419 12.61212 0.73878 -0.03967 3.27994 ( 0.18716 4.00000)
6.40057 6.85176 0.36515 0.54001 0.07106 3.02502 ( 0.19334 4.00000)
9.75325 6.62606 6.90745 -0.34808 0.14137 2.43792 ( 0.20318 4.00000)
6.24007 9.67823 1.67645 -0.02690 -0.02151 3.10486 ( 0.19145 4.00000)
6.65558 7.06042 8.79421 0.15926 -0.01059 3.11987 ( 0.19633 4.00000)
11.80692 6.94639 14.05727 0.69109 -0.12129 2.82527 ( 0.19225 4.00000)
6.39955 9.97659 10.34026 -0.34914 0.25320 2.69918 ( 0.19906 4.00000)
11.03265 10.16848 13.84914 -0.41500 -0.07830 2.52511 ( 0.20001 4.00000)
6.77345 12.10505 16.99256 0.24438 -0.58754 3.19317 ( 0.17805 4.00000)
10.32223 13.09442 6.99099 -0.00633 -0.15720 2.83574 ( 0.19011 4.00000)
10.59365 15.96480 4.77521 0.02385 -0.08665 2.70524 ( 0.20816 4.00000)
6.94250 12.79247 7.88185 0.13889 -0.15789 2.49288 ( 0.19984 4.00000)
10.18654 12.31147 16.08279 -0.08726 0.67492 2.49375 ( 0.18769 4.00000)
7.13888 17.01345 11.20310 -0.15931 0.07776 2.14939 ( 0.21345 4.00000)
10.37682 0.23169 12.64835 0.13841 0.69441 2.70570 ( 0.20669 4.00000)
13.24904 1.54346 17.14370 -0.14494 -0.77440 3.33608 ( 0.19678 4.00000)
15.89410 1.64185 6.44545 -0.39975 -0.52184 3.37854 ( 0.19563 4.00000)
12.98857 4.28042 2.14546 -0.93420 0.09827 2.74675 ( 0.20533 4.00000)
15.96785 4.32998 4.48967 0.34547 0.02540 2.95298 ( 0.19653 4.00000)
13.27097 1.52537 8.57426 0.10608 0.03099 4.23149 ( 0.17425 4.00000)
16.03461 1.53130 15.21659 -0.51416 -0.46533 3.35785 ( 0.19639 4.00000)
13.37701 3.97590 10.80799 -0.06357 0.28603 2.92151 ( 0.20020 4.00000)
16.23421 4.17555 13.11475 -0.33806 0.10793 3.39859 ( 0.18479 4.00000)
13.12188 6.75851 16.83328 0.48887 -0.46921 2.86513 ( 0.20817 4.00000)
16.15350 6.82329 6.57280 0.34223 0.05941 3.74853 ( 0.17941 4.00000)
13.80451 11.28726 3.11364 0.15430 -0.68076 2.92126 ( 0.19250 4.00000)
16.01530 9.31599 4.57229 -0.08968 -0.40787 3.02059 ( 0.19266 4.00000)
16.24774 6.95131 14.97400 0.26784 0.29842 3.17211 ( 0.19642 4.00000)
13.37358 11.10317 11.33384 0.36274 -0.78533 3.25010 ( 0.19069 4.00000)
16.26481 10.28310 12.82929 0.03049 -0.24269 3.10839 ( 0.19570 4.00000)
13.02958 12.87265 0.34345 0.50029 0.47568 3.66674 ( 0.18415 4.00000)
15.63587 13.81058 6.90598 -0.57328 -0.72427 3.39209 ( 0.20092 4.00000)
13.11026 15.86276 1.91698 0.01260 0.51897 2.88552 ( 0.20397 4.00000)
16.04847 15.98249 4.25314 -0.58050 0.00743 3.53518 ( 0.19706 4.00000)
12.92950 13.50280 9.01948 0.16454 -0.29246 3.68598 ( 0.18527 4.00000)
16.03470 13.24150 15.21399 -0.06132 -0.44572 2.75219 ( 0.19643 4.00000)
13.00717 16.52927 10.76204 -0.14765 -0.34217 3.01077 ( 0.20180 4.00000)
15.92967 15.85673 13.13419 -0.41221 0.06127 3.04856 ( 0.19511 4.00000)
1.86054 17.36365 1.29865 0.07870 0.30006 -0.89126 ( -0.08886 4.00000)
4.17830 2.73136 5.21241 -0.13016 0.38095 -1.18426 ( -0.09089 4.00000)
3.26426 5.75851 5.24301 0.03349 -0.16430 -1.05367 ( -0.09070 4.00000)
17.49829 1.67854 7.58538 -0.34881 -0.18300 -0.88922 ( -0.09053 4.00000)
1.16532 17.05709 10.27678 0.00037 0.19726 -0.53584 ( -0.09841 4.00000)
3.43296 5.28736 14.40974 0.02664 -0.28797 -1.19179 ( -0.09117 4.00000)
5.78979 4.58179 12.35127 0.50804 0.06483 -0.91745 ( -0.08778 4.00000)
2.66622 1.96025 16.18884 0.36038 0.07584 -1.19778 ( -0.09020 4.00000)
17.32027 0.89679 16.51550 -0.31945 -0.00285 -1.12508 ( -0.09063 4.00000)
0.46199 8.18893 0.93413 0.02748 -0.45439 -1.07262 ( -0.09245 4.00000)
5.39231 10.11127 3.40660 0.29723 0.12853 -1.02850 ( -0.08962 4.00000)
2.32066 9.80687 3.44943 -0.25630 -0.11225 -0.97729 ( -0.09034 4.00000)
4.91964 7.92130 14.71679 0.08500 0.06167 -0.55711 ( -0.09786 4.00000)
2.68710 7.23238 16.69438 0.35374 -0.11676 -0.97937 ( -0.09397 4.00000)
0.01020 10.88204 2.02154 -0.04893 0.12740 -0.55035 ( -0.09799 4.00000)
4.21835 0.28129 6.98759 -0.04297 0.02984 -0.41023 ( -0.09784 4.00000)
17.23783 13.81793 8.03064 -0.49279 0.15061 -0.91586 ( -0.08811 4.00000)
4.79582 14.66186 14.12172 0.00693 0.36214 -0.90107 ( -0.09101 4.00000)
1.82404 14.00413 10.26937 0.05895 -0.22595 -1.02608 ( -0.08990 4.00000)
5.26768 16.92854 11.79676 0.40339 0.20572 -0.89680 ( -0.08884 4.00000)
10.96027 2.96124 5.34122 0.02593 0.27751 -1.12533 ( -0.08959 4.00000)
6.97457 3.04582 1.08259 0.19066 -0.24664 -1.11500 ( -0.09229 4.00000)
10.16898 6.05361 5.08582 0.16922 -0.38978 -1.12977 ( -0.09115 4.00000)
8.34039 4.05066 3.68939 -0.56148 -0.01823 -0.98781 ( -0.08880 4.00000)
8.74489 2.42632 7.55292 0.54505 -0.03672 -1.00625 ( -0.08817 4.00000)
7.18775 0.35634 9.46384 0.10009 0.47835 -1.17348 ( -0.09160 4.00000)
11.47395 4.04892 11.19556 0.24618 -0.03919 -0.93615 ( -0.09191 4.00000)
9.15080 2.77757 16.12393 0.39456 -0.08901 -1.17020 ( -0.09262 4.00000)
7.98734 0.36277 0.04247 0.10018 -0.05503 -0.42016 ( -0.09815 4.00000)
8.09306 7.37877 7.53063 0.24410 -0.09355 -0.89897 ( -0.09215 4.00000)
5.20414 6.37683 7.73407 -0.39603 0.00581 -1.01399 ( -0.09144 4.00000)
12.25313 11.32613 12.87115 0.29576 0.23879 -0.98928 ( -0.09194 4.00000)
7.88582 9.71337 11.41294 -0.21637 0.05503 -0.56246 ( -0.09870 4.00000)
7.90588 7.26091 16.85699 0.09019 0.01714 -0.47038 ( -0.09900 4.00000)
11.07224 14.64349 6.08452 0.22651 0.37133 -0.95129 ( -0.09118 4.00000)
9.97410 0.03402 5.82220 0.12605 -0.26146 -1.06935 ( -0.08881 4.00000)
11.77786 16.49122 3.26041 0.29396 0.03825 -1.33728 ( -0.08715 4.00000)
6.65717 11.67689 9.40508 0.15175 0.44702 -0.98496 ( -0.09015 4.00000)
7.76961 15.24886 11.07941 0.01855 -0.05285 -0.49980 ( -0.09776 4.00000)
8.52712 0.41686 12.29829 -0.38807 -0.08649 -0.77276 ( -0.08936 4.00000)
13.11181 17.12784 0.26607 0.09611 0.29452 -0.95832 ( -0.08549 4.00000)
13.20693 2.50512 1.34897 0.10932 -0.13411 -1.06342 ( -0.08918 4.00000)
17.29335 3.71694 3.19979 0.32523 -0.01426 -0.98245 ( -0.09011 4.00000)
14.20035 4.69758 3.69278 -0.34181 0.00368 -0.98997 ( -0.08833 4.00000)
14.59997 3.56179 12.23787 -0.40280 -0.09849 -0.92501 ( -0.09120 4.00000)
13.57708 5.48481 0.72232 0.02908 0.38779 -1.29395 ( -0.08936 4.00000)
12.29749 8.18631 0.22048 0.10433 0.03894 -0.51135 ( -0.09822 4.00000)
16.86596 10.59176 5.62457 -0.05157 -0.13743 -0.55983 ( -0.09870 4.00000)
16.66958 8.43890 13.63905 -0.03819 0.27703 -0.85837 ( -0.08538 4.00000)
16.67265 11.67449 14.15979 0.14557 -0.30273 -0.92960 ( -0.08842 4.00000)
14.70756 7.45696 15.98014 0.27876 0.18542 -1.00892 ( -0.09158 4.00000)
16.06899 0.34084 4.92526 -0.02842 -0.28792 -0.94311 ( -0.08744 4.00000)
14.63768 15.41566 3.05858 -0.21055 -0.01002 -1.08001 ( -0.09017 4.00000)
12.21694 15.07373 9.87203 -0.03401 -0.28047 -0.97293 ( -0.09348 4.00000)
15.65466 0.14914 13.86557 -0.00208 -0.47050 -1.03973 ( -0.08886 4.00000)
14.35754 15.71932 11.91759 -0.46765 0.01809 -1.04482 ( -0.08861 4.00000)
14.30081 12.83268 16.21967 0.40495 -0.02970 -0.98477 ( -0.08470 4.00000)
8.77223 10.39607 2.47225 0.13196 0.16603 0.42226 ( -0.09164 4.00000)
12.91187 8.54216 10.48161 -0.02417 0.12854 0.32387 ( -0.09197 4.00000)
8.49467 15.82840 2.99445 0.32108 -0.24883 0.87343 ( -0.09187 4.00000)
1.32045 2.68577 1.08043 0.13778 -1.50900 -2.27210 ( -0.66890 6.00000)
5.44581 4.42337 3.31859 1.35490 0.08737 -1.88421 ( -0.66435 6.00000)
2.71895 4.15019 2.95898 -1.44095 -0.18786 -2.23416 ( -0.66214 6.00000)
2.89361 2.63574 7.84048 0.67844 -0.17414 -1.18733 ( -0.66645 6.00000)
3.72928 2.61904 13.46082 0.19054 0.92250 -1.82936 ( -0.66209 6.00000)
1.12195 3.42722 9.72736 -0.01991 -0.96337 -2.86267 ( -0.66627 6.00000)
2.69176 4.49808 11.70258 -1.33988 0.19495 -2.24198 ( -0.66528 6.00000)
1.13271 5.33613 0.95032 -0.04625 1.25275 -2.09052 ( -0.66691 6.00000)
4.03043 8.42197 5.67301 -0.04916 1.38469 -2.06568 ( -0.66543 6.00000)
3.75157 11.03623 5.64253 -0.02592 -1.31915 -2.05614 ( -0.66991 6.00000)
2.52170 7.25791 7.75547 1.16601 -0.14477 -2.08649 ( -0.66777 6.00000)
17.39856 7.13193 7.68295 -1.15617 -0.20368 -2.08018 ( -0.66748 6.00000)
1.18188 6.06412 9.94036 -0.00758 1.11305 -2.10153 ( -0.66535 6.00000)
1.18202 8.73358 9.65531 0.11696 -1.28102 -1.80875 ( -0.66857 6.00000)
3.91098 11.84592 13.59643 -0.14836 -1.02597 -2.89726 ( -0.65472 6.00000)
5.12928 10.31683 11.41789 0.97242 -0.39723 -1.57790 ( -0.66361 6.00000)
2.50977 10.51875 11.46580 -0.52579 -0.26788 -1.34042 ( -0.66787 6.00000)
17.45087 6.59897 16.12377 -1.19732 0.07984 -2.43376 ( -0.66114 6.00000)
3.55980 13.67281 5.25157 -0.34247 0.66962 -2.70542 ( -0.66615 6.00000)
1.28803 14.62748 0.64715 0.14891 -1.23483 -2.44073 ( -0.65754 6.00000)
4.98905 14.24610 3.11864 0.34524 0.12269 -0.94527 ( -0.66101 6.00000)
2.40264 15.06164 3.08512 -0.77786 0.77765 -1.58737 ( -0.66786 6.00000)
2.72172 12.72875 7.62075 1.38904 -0.32768 -2.37572 ( -0.65990 6.00000)
1.06333 11.39589 9.35618 0.04903 0.98035 -1.80442 ( -0.66881 6.00000)
3.61212 17.43666 14.11103 0.22287 -1.32211 -1.72405 ( -0.66734 6.00000)
2.61877 15.69429 12.36150 -1.18667 -0.28881 -1.79186 ( -0.66948 6.00000)
2.80206 13.36593 15.83914 1.49551 -0.16782 -2.01876 ( -0.65367 6.00000)
17.47316 13.58140 16.05649 -1.12773 -0.15594 -1.64953 ( -0.66534 6.00000)
9.77890 2.08644 1.42003 -0.41891 -0.12197 -1.37434 ( -0.65834 6.00000)
11.39452 4.37239 2.86549 1.38064 -0.15466 -2.24515 ( -0.65040 6.00000)
5.75314 2.47184 7.89843 -1.19242 0.17464 -1.65677 ( -0.66021 6.00000)
10.58974 3.42804 13.84178 -0.09423 1.16196 -2.68018 ( -0.66618 6.00000)
7.29963 3.26088 10.01774 0.07331 -1.19624 -2.38810 ( -0.66845 6.00000)
10.61644 6.04073 13.30213 -0.57567 -0.79046 -1.44367 ( -0.66539 6.00000)
8.72282 4.57356 11.93667 -0.94245 0.01633 -1.53558 ( -0.65730 6.00000)
6.87268 5.85394 1.60201 -0.28524 1.12903 -2.01213 ( -0.67151 6.00000)
10.69996 7.99849 7.09252 -0.08303 -0.18218 -0.96248 ( -0.65470 6.00000)
5.73707 8.23825 1.01832 0.05826 -0.86243 -1.41077 ( -0.66578 6.00000)
10.63831 11.82289 5.95914 0.19592 -0.47668 -1.22862 ( -0.65864 6.00000)
12.27791 10.92294 3.59234 0.46396 0.07111 -1.08139 ( -0.66326 6.00000)
7.82470 9.40720 2.06031 -0.23770 -0.15559 -0.91522 ( -0.65744 6.00000)
7.06519 5.95381 10.03323 -0.33394 1.46212 -2.48029 ( -0.66352 6.00000)
11.49637 8.56646 14.11248 -0.13321 0.38884 -0.99253 ( -0.66926 6.00000)
6.22218 8.54831 9.46647 0.04511 -1.21446 -1.61933 ( -0.66404 6.00000)
10.64255 10.88430 15.28736 0.49059 -1.07824 -2.09654 ( -0.66472 6.00000)
5.27533 6.08183 16.89617 -1.05291 -0.13568 -1.96081 ( -0.66186 6.00000)
6.19392 10.87447 0.49133 0.31561 1.26046 -2.15972 ( -0.66594 6.00000)
6.63594 13.50144 0.40946 0.05220 -0.37581 -1.16440 ( -0.65659 6.00000)
9.20318 15.33527 4.12194 -0.73192 0.02609 -1.53582 ( -0.65439 6.00000)
8.65369 12.87516 7.41323 1.11634 0.16912 -1.07600 ( -0.64957 6.00000)
5.50203 12.61795 6.94111 -1.48978 -0.15870 -1.66939 ( -0.65982 6.00000)
10.10713 13.64215 15.27789 0.01188 0.06651 -1.18701 ( -0.62124 6.00000)
10.67911 0.87544 14.08625 -0.31009 -1.26343 -2.55771 ( -0.66082 6.00000)
11.60356 17.20368 11.75834 0.92112 -0.58931 -1.54381 ( -0.65220 6.00000)
8.39118 11.91622 16.60701 0.85928 0.07022 -1.01881 ( -0.64500 6.00000)
5.50451 12.34914 15.80657 -1.40338 0.59483 -2.06138 ( -0.65765 6.00000)
15.73327 3.04046 5.55542 -0.01873 1.20191 -2.03183 ( -0.66797 6.00000)
16.46394 5.60663 5.46979 -0.25476 -1.11613 -2.03479 ( -0.66620 6.00000)
14.52808 1.45286 7.47168 1.39501 0.03628 -2.21482 ( -0.66540 6.00000)
11.79275 1.56088 7.78873 -1.40911 0.10995 -2.05350 ( -0.66329 6.00000)
13.32704 0.21681 9.64565 0.04980 1.21239 -2.17791 ( -0.66893 6.00000)
16.41790 2.90736 14.26355 -0.06360 1.17060 -2.06439 ( -0.65785 6.00000)
13.45171 2.82808 9.57211 -0.02183 -1.36012 -2.43020 ( -0.67139 6.00000)
16.10069 5.57752 13.99343 0.03325 -1.24417 -1.80921 ( -0.66830 6.00000)
0.00005 4.40711 11.99025 1.25526 0.20306 -2.18215 ( -0.66455 6.00000)
14.62884 1.73967 16.17160 1.52456 0.08216 -2.16663 ( -0.66158 6.00000)
11.98368 2.03831 16.06725 -1.35741 0.47251 -2.22222 ( -0.66359 6.00000)
15.63239 8.11986 5.68103 -0.05748 0.91932 -1.73481 ( -0.66900 6.00000)
17.11138 8.55854 3.60414 0.84336 -0.05688 -1.87637 ( -0.66391 6.00000)
14.79559 9.98222 3.60061 -0.66862 0.50965 -1.34561 ( -0.66014 6.00000)
14.83832 6.40254 7.47085 0.52668 0.13955 -1.41499 ( -0.66213 6.00000)
10.26118 5.42988 7.96507 -0.25544 0.33390 -1.24454 ( -0.65358 6.00000)
13.84142 5.42996 10.14226 0.24850 0.38101 -1.18685 ( -0.65660 6.00000)
12.90067 9.94534 10.26834 -0.09871 -0.23014 -1.04305 ( -0.65786 6.00000)
17.40760 10.25314 11.57387 1.55304 0.02275 -2.56129 ( -0.67071 6.00000)
14.84553 10.65634 12.01294 -0.91967 0.26889 -1.50014 ( -0.66734 6.00000)
12.09160 6.31793 15.56215 -0.72419 0.19068 -2.57395 ( -0.66079 6.00000)
13.66330 11.76838 1.50243 -0.56161 0.92599 -2.81082 ( -0.65934 6.00000)
15.90808 14.97969 5.66759 0.18311 1.50316 -2.93328 ( -0.65403 6.00000)
12.90234 14.38066 1.10662 -0.05981 -1.43834 -1.86707 ( -0.66278 6.00000)
17.39979 15.79595 3.12260 1.45970 -0.18557 -2.17058 ( -0.65159 6.00000)
14.24465 13.87010 7.98683 1.33727 0.11075 -2.10598 ( -0.65380 6.00000)
11.50975 12.98027 8.22780 -1.45775 -0.11988 -2.17062 ( -0.65803 6.00000)
13.37751 12.44417 10.26044 -0.25547 1.40143 -2.41272 ( -0.66212 6.00000)
15.76289 14.59733 14.23402 -0.00718 1.37334 -2.07875 ( -0.66491 6.00000)
17.35248 15.55367 12.27553 1.36941 -0.20470 -1.83136 ( -0.66414 6.00000)
11.51892 12.39014 17.28946 -1.02691 -0.27533 -1.61424 ( -0.65302 6.00000)
2.14782 0.44560 2.19550 -0.12283 -0.03492 -0.11364 ( -0.02076 1.00000)
3.29477 2.11300 4.94555 -0.00422 -0.01227 0.03315 ( -0.02065 1.00000)
2.45654 5.15830 5.71352 0.06094 -0.04769 0.08016 ( -0.02056 1.00000)
17.13665 1.28635 8.55333 0.01547 0.07392 -0.06045 ( -0.02066 1.00000)
2.05496 17.16622 9.63831 0.09995 0.02093 -0.00169 ( -0.02102 1.00000)
2.76007 4.61458 14.97268 0.12922 -0.05327 -0.00825 ( -0.02079 1.00000)
5.82104 5.64963 12.65472 0.01870 -0.03892 0.03882 ( -0.02064 1.00000)
1.99867 2.73895 15.76239 0.04354 0.05728 0.00672 ( -0.02057 1.00000)
16.62702 0.41219 17.23014 0.04862 0.14584 0.00524 ( -0.02071 1.00000)
0.53299 8.97932 0.15968 -0.05537 0.13406 -0.07829 ( -0.02080 1.00000)
6.28070 9.99466 4.05905 -0.11319 -0.05788 -0.03454 ( -0.02071 1.00000)
2.80484 10.34140 2.60493 -0.00811 0.16011 -0.03882 ( -0.02067 1.00000)
5.85876 7.59725 14.24081 0.13526 0.01886 0.03616 ( -0.02100 1.00000)
2.33378 8.07412 16.06384 -0.00840 0.10766 0.02348 ( -0.02069 1.00000)
0.72196 11.42800 1.39191 0.01696 -0.02205 0.10632 ( -0.02111 1.00000)
4.17641 17.36384 8.00554 0.01826 0.18805 -0.11917 ( -0.02105 1.00000)
0.17664 14.81238 7.80592 -0.00624 0.02041 0.09697 ( -0.02063 1.00000)
5.28314 15.15948 14.98492 -0.12574 -0.06734 -0.00202 ( -0.02055 1.00000)
1.99589 13.21868 11.02572 -0.07706 0.02546 -0.08802 ( -0.02084 1.00000)
4.90269 16.46159 10.85427 -0.09076 -0.04840 -0.15115 ( -0.02061 1.00000)
11.44760 2.27402 4.62061 0.11265 -0.03447 -0.03222 ( -0.02069 1.00000)
6.42001 2.18281 1.50214 0.08268 0.05492 0.04330 ( -0.02069 1.00000)
11.20298 6.44871 5.00937 -0.00584 -0.04588 0.02563 ( -0.02068 1.00000)
8.23943 2.94593 3.71752 -0.06051 -0.00020 0.10852 ( -0.02073 1.00000)
9.07830 3.43667 7.86385 0.09708 -0.05340 0.05051 ( -0.02050 1.00000)
8.13841 17.45818 9.05432 0.04616 -0.02805 -0.02334 ( -0.02071 1.00000)
11.09062 4.59939 10.31069 -0.00501 0.00288 0.00813 ( -0.02044 1.00000)
8.29143 2.75175 15.42638 -0.13431 0.04379 -0.01235 ( -0.02068 1.00000)
8.82941 17.22992 17.22214 0.02654 -0.08531 0.09209 ( -0.02091 1.00000)
7.50840 7.62286 6.62087 -0.03015 0.10175 -0.06444 ( -0.02062 1.00000)
4.60511 5.74329 8.41778 0.03422 0.11551 0.04938 ( -0.02060 1.00000)
12.92668 11.75537 13.63632 -0.02812 -0.06027 0.01148 ( -0.02067 1.00000)
8.02117 10.55523 12.10517 -0.00079 -0.08616 0.01621 ( -0.02102 1.00000)
8.67556 7.71636 17.49570 -0.11945 -0.01941 0.08997 ( -0.02086 1.00000)
11.47875 15.24589 6.91703 -0.09550 -0.08210 -0.03771 ( -0.02094 1.00000)
9.35972 16.97903 6.56192 0.17635 0.02848 -0.03822 ( -0.02071 1.00000)
11.03713 17.07922 2.67792 0.02658 0.08136 -0.00629 ( -0.02062 1.00000)
7.42775 12.08916 10.09180 -0.02158 -0.05808 -0.08326 ( -0.02061 1.00000)
7.92017 14.83580 12.09082 -0.04853 0.12650 -0.02347 ( -0.02081 1.00000)
8.50905 1.48718 11.99359 -0.00084 -0.02653 0.17907 ( -0.02011 1.00000)
13.83892 16.58967 17.12637 0.04083 -0.04895 -0.15226 ( -0.02075 1.00000)
14.18064 2.16404 1.76300 -0.04638 0.00636 -0.00857 ( -0.02061 1.00000)
0.22637 2.85420 3.74771 -0.00640 0.11792 0.02824 ( -0.02073 1.00000)
13.55731 4.46328 4.56374 0.07454 -0.04843 -0.17547 ( -0.02079 1.00000)
13.93368 3.48067 13.12140 0.07474 0.07489 -0.04739 ( -0.02061 1.00000)
14.29477 4.78199 0.25086 0.10198 0.06044 0.04144 ( -0.02065 1.00000)
12.05112 9.01860 17.04503 -0.02452 0.11499 0.10290 ( -0.02084 1.00000)
16.27694 10.80430 6.52497 0.06377 -0.02888 -0.07785 ( -0.02104 1.00000)
16.72250 7.84092 12.70809 0.07674 -0.05627 -0.11726 ( -0.02074 1.00000)
0.08131 12.14367 13.72814 0.11562 -0.04971 0.05154 ( -0.02058 1.00000)
15.18747 8.06134 16.77823 -0.01728 -0.14219 -0.01258 ( -0.02062 1.00000)
15.33129 0.80027 4.23469 -0.05112 0.03286 -0.13457 ( -0.02071 1.00000)
15.22283 14.74953 2.39790 0.01319 -0.14018 0.02460 ( -0.02073 1.00000)
11.52991 14.60593 10.60396 0.10694 0.01891 -0.00377 ( -0.02061 1.00000)
14.54913 0.08259 13.94141 -0.02214 -0.04803 0.07122 ( -0.02068 1.00000)
13.64918 15.17179 12.57877 0.01023 0.08550 0.05493 ( -0.02045 1.00000)
14.26990 11.73639 16.04700 0.06551 -0.06672 -0.00088 ( -0.02075 1.00000)
2.83011 17.00291 0.89614 0.09326 0.04476 0.05055 ( -0.02063 1.00000)
5.01762 2.19884 4.72481 0.04460 -0.07945 0.01638 ( -0.02075 1.00000)
2.72197 6.40768 4.52960 -0.13027 0.01624 -0.02840 ( -0.02071 1.00000)
0.61592 0.85326 7.17988 0.03590 -0.08824 0.09742 ( -0.02068 1.00000)
1.05804 0.47662 10.87149 0.01391 -0.12993 0.10640 ( -0.02089 1.00000)
2.72869 6.02833 13.97220 -0.02289 0.00598 0.04919 ( -0.02058 1.00000)
6.27365 4.07474 13.21275 -0.04826 0.03552 -0.14788 ( -0.02068 1.00000)
3.39789 2.54642 16.78232 -0.00205 -0.09283 0.04352 ( -0.02064 1.00000)
0.26647 0.03376 15.97352 -0.00447 -0.08736 0.04567 ( -0.02053 1.00000)
16.86896 8.04953 1.06168 0.03931 -0.06018 0.03383 ( -0.02064 1.00000)
5.26691 11.21282 3.35522 0.03262 -0.01410 0.03986 ( -0.02060 1.00000)
1.79651 10.63408 3.97172 -0.04506 -0.09039 0.04239 ( -0.02068 1.00000)
4.24367 8.25477 13.91418 -0.11115 0.05222 -0.04759 ( -0.02100 1.00000)
3.20146 7.72932 0.04071 0.00349 -0.14168 -0.02551 ( -0.02058 1.00000)
17.29565 11.52683 2.88643 0.04131 -0.19806 -0.01943 ( -0.02114 1.00000)
5.09458 17.34903 6.48077 0.06337 -0.02900 0.06492 ( -0.02097 1.00000)
16.80060 13.95067 9.04167 0.03230 -0.11293 -0.14754 ( -0.02068 1.00000)
5.65314 14.35380 13.49055 0.13516 0.00976 0.02799 ( -0.02070 1.00000)
2.85103 14.37043 10.06567 0.00193 -0.05419 0.04039 ( -0.02072 1.00000)
4.88020 0.46410 11.72901 0.02292 0.05964 0.06723 ( -0.02065 1.00000)
11.82432 3.49932 5.78478 -0.11994 0.00262 0.04483 ( -0.02073 1.00000)
6.33916 3.40343 0.25044 -0.11427 -0.04044 -0.06187 ( -0.02060 1.00000)
9.59394 6.71839 4.41200 -0.02209 0.08578 0.02107 ( -0.02055 1.00000)
7.91802 4.38505 4.66043 0.09103 -0.03465 -0.18511 ( -0.02069 1.00000)
8.23543 2.62518 6.58554 -0.06421 0.09020 -0.12317 ( -0.02066 1.00000)
6.41431 17.32071 8.88054 0.00336 -0.04559 0.00502 ( -0.02063 1.00000)
11.14557 3.00954 10.98712 0.01138 -0.03439 0.06172 ( -0.02076 1.00000)
9.36027 3.86210 16.23230 0.04772 0.00187 0.06485 ( -0.02050 1.00000)
7.53966 17.41529 0.94072 0.12814 0.11006 -0.00954 ( -0.02108 1.00000)
8.48774 8.36338 7.84778 0.00457 -0.06727 0.07415 ( -0.02061 1.00000)
5.72768 5.64505 7.08615 0.02326 -0.11219 0.00649 ( -0.02074 1.00000)
11.53162 12.14308 12.66419 -0.03002 0.04664 0.12861 ( -0.02052 1.00000)
7.77778 8.79967 12.01567 -0.03504 0.10469 0.01992 ( -0.02093 1.00000)
7.67148 7.97660 16.05599 0.03134 0.09888 -0.03149 ( -0.02096 1.00000)
11.96712 14.11387 5.69832 0.07660 0.02667 0.10039 ( -0.02059 1.00000)
9.20674 0.45352 5.13285 -0.13113 0.02185 0.03437 ( -0.02061 1.00000)
12.42086 17.27854 3.71166 0.01805 -0.09945 0.04482 ( -0.02069 1.00000)
5.72984 12.20671 9.71226 -0.04607 0.01730 0.01683 ( -0.02058 1.00000)
7.06651 14.59485 10.54611 -0.04894 -0.05545 0.09906 ( -0.02101 1.00000)
8.18003 0.43236 13.34917 0.03230 -0.05538 -0.04072 ( -0.02050 1.00000)
12.13433 16.79403 17.35819 -0.04346 0.00715 -0.02036 ( -0.02057 1.00000)
12.47800 1.85419 1.86970 0.02430 0.03159 -0.04551 ( -0.02068 1.00000)
16.61133 3.22326 2.47663 -0.06648 -0.12741 0.00319 ( -0.02072 1.00000)
14.18380 5.80672 3.64923 -0.03177 0.02108 0.05424 ( -0.02065 1.00000)
14.87276 2.50739 12.03337 -0.02484 -0.06400 0.10475 ( -0.02070 1.00000)
14.23243 6.19147 1.27631 -0.04298 -0.00873 0.03900 ( -0.02069 1.00000)
12.93327 8.58137 1.02753 -0.06608 -0.06546 -0.04748 ( -0.02099 1.00000)
0.31818 10.15222 5.96061 -0.05667 -0.02085 0.08642 ( -0.02093 1.00000)
0.23893 8.66414 13.84372 -0.02083 0.05547 0.06770 ( -0.02068 1.00000)
17.08408 11.06555 14.99139 -0.10785 0.05313 -0.07187 ( -0.02075 1.00000)
14.24371 8.22849 15.33189 0.03177 0.16310 -0.00458 ( -0.02070 1.00000)
17.03243 0.72423 4.52831 0.04273 -0.00706 -0.01566 ( -0.02069 1.00000)
14.06257 14.70897 3.69175 -0.04255 0.11759 0.00488 ( -0.02066 1.00000)
11.55248 15.52990 9.11606 -0.19925 0.03259 0.02005 ( -0.02080 1.00000)
15.79992 0.71375 12.92180 -0.05787 0.07481 -0.19075 ( -0.02075 1.00000)
14.66771 14.92743 11.20480 -0.05063 -0.13373 -0.02534 ( -0.02060 1.00000)
13.59723 13.22883 15.45681 -0.05547 0.03554 -0.10906 ( -0.02061 1.00000)
0.28893 16.96969 9.61776 -0.11571 -0.01882 0.00128 ( -0.02106 1.00000)
5.14861 8.79609 15.34428 -0.01814 -0.14423 0.09089 ( -0.02091 1.00000)
16.57887 10.76457 1.44815 -0.11654 0.03761 0.01128 ( -0.02104 1.00000)
3.32280 17.43531 6.45000 -0.09591 -0.04563 0.03388 ( -0.02101 1.00000)
7.22345 0.33037 16.74849 -0.10514 -0.01588 -0.04013 ( -0.02094 1.00000)
8.80270 9.61454 10.81195 0.11784 0.00496 0.08239 ( -0.02096 1.00000)
8.32656 6.35754 16.39008 0.05140 -0.08054 0.02683 ( -0.02103 1.00000)
8.73549 15.20213 10.55252 0.09995 -0.03483 0.04001 ( -0.02102 1.00000)
11.35757 7.84337 0.68199 0.10531 -0.03432 0.01908 ( -0.02092 1.00000)
17.07689 11.54135 5.11708 0.01599 0.11990 0.12853 ( -0.02116 1.00000)
1.05898 4.30352 7.32607 0.01265 -0.00353 -0.36889 ( -0.02018 1.00000)
4.03509 12.56543 11.20951 0.04239 -0.00018 -0.40175 ( -0.02038 1.00000)
2.98241 12.61908 2.99845 -0.03983 0.01848 -0.37098 ( -0.02028 1.00000)
13.02951 6.77394 13.23542 -0.02255 -0.01470 -0.37123 ( -0.02023 1.00000)
9.81405 10.04557 13.02717 0.05186 0.01929 -0.30913 ( -0.02045 1.00000)
14.38062 12.44509 3.83928 -0.02146 -0.02433 -0.38339 ( -0.02024 1.00000)
15.29130 12.60070 6.14349 -0.05793 0.00566 -0.42440 ( -0.02035 1.00000)
1.51212 12.17674 0.04632 -0.01574 0.02596 -0.38263 ( -0.02050 1.00000)
5.20365 1.54821 15.21091 0.01870 -0.06812 -0.41268 ( -0.02022 1.00000)
6.79297 14.20253 8.32851 0.01630 0.01336 -0.41203 ( -0.02024 1.00000)
11.61515 7.96197 6.76612 0.12090 0.01822 0.39962 ( -0.01937 1.00000)
10.25461 10.96603 6.21744 0.03112 0.08864 0.36472 ( -0.01912 1.00000)
11.90891 11.26603 4.43245 -0.29936 0.12931 0.62132 ( -0.01828 1.00000)
8.53540 10.78259 3.48001 0.08650 -0.08043 -0.20541 ( -0.02167 1.00000)
9.76681 9.93079 2.50215 -0.02735 0.01322 0.08407 ( -0.02161 1.00000)
8.80784 11.23977 1.76494 -0.02082 0.04252 0.02161 ( -0.02157 1.00000)
14.97448 6.01037 8.35394 -0.21394 -0.09215 0.63958 ( -0.01875 1.00000)
10.93413 4.83383 7.59381 0.12530 -0.02970 0.43806 ( -0.01945 1.00000)
13.14865 5.92816 9.67432 -0.09456 0.05745 0.38501 ( -0.01925 1.00000)
12.65000 8.06887 9.52187 -0.02842 -0.10225 -0.12151 ( -0.02174 1.00000)
13.90414 8.18239 10.79823 -0.05594 0.00719 0.07016 ( -0.02161 1.00000)
12.16474 8.24325 11.23577 0.13966 0.01042 -0.02064 ( -0.02171 1.00000)
5.27827 14.04824 2.20496 -0.18964 0.05635 0.49180 ( -0.01848 1.00000)
10.20084 2.92381 1.69633 0.08132 0.22782 0.49282 ( -0.01882 1.00000)
7.46833 14.00510 0.41146 0.02921 0.09073 0.35857 ( -0.01930 1.00000)
7.48179 15.39929 3.01468 -0.09428 0.00456 0.03612 ( -0.02153 1.00000)
8.41010 16.93048 3.00754 -0.04251 0.08931 0.01703 ( -0.02171 1.00000)
8.99741 15.53505 2.05618 0.11558 -0.05530 -0.22545 ( -0.02166 1.00000)
-----------------------------------------------------------------------------------------
total drift (improves with k-points): -0.00501 0.01168 1.08454
--------------------------------------------------------------------------------------------------------
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)
------------------------------------------------------
2.348859 -0.010949 -0.019691
-0.010949 2.284379 -0.004439
-0.019691 -0.004439 2.381219
------------------------------------------------------
--------------------------------------------------------------------------------------------------------
Linear response:
Degrees of freedom DOF = 1104
Linear response progress:
Degree of freedom: 1/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 4( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258977; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258927; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01048812
-V(xc)+E(xc) XCENC = 0.02205212
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02030203
---------------------------------------------------
free energy TOTEN = -0.00873803 eV
energy without entropy = -0.00873803
----------------------------------------- Iteration 4( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258977; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258927; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.59642E+00 rms(broyden)= 0.59596E+00
rms(prec ) = 0.67233E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01048812
-V(xc)+E(xc) XCENC = 0.02205212
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01178730
---------------------------------------------------
free energy TOTEN = -0.00022330 eV
energy without entropy = -0.00022330
----------------------------------------- Iteration 4( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258994; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258910; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.36857E+00 rms(broyden)= 0.36853E+00
rms(prec ) = 0.42079E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4195
2.4195
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00967048
-V(xc)+E(xc) XCENC = 0.01888206
PAW double counting = 0.00235607 -0.00235652
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01202184
---------------------------------------------------
free energy TOTEN = -0.00281071 eV
energy without entropy = -0.00281071
----------------------------------------- Iteration 4( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259025; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258879; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.88045E-01 rms(broyden)= 0.87951E-01
rms(prec ) = 0.10911E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0206
1.7002 2.3410
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00870603
-V(xc)+E(xc) XCENC = 0.01621640
PAW double counting = 0.01478441 -0.01478719
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01247441
---------------------------------------------------
free energy TOTEN = -0.00496681 eV
energy without entropy = -0.00496681
----------------------------------------- Iteration 4( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259042; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258862; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.39630E-01 rms(broyden)= 0.39608E-01
rms(prec ) = 0.53757E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8314
2.8626 0.9131 1.7186
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00849313
-V(xc)+E(xc) XCENC = 0.01597081
PAW double counting = 0.01584939 -0.01585217
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01265818
---------------------------------------------------
free energy TOTEN = -0.00518328 eV
energy without entropy = -0.00518328
----------------------------------------- Iteration 4( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259051; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258853; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.19703E-01 rms(broyden)= 0.19695E-01
rms(prec ) = 0.28748E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8707
3.0103 2.2116 0.9726 1.2882
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844421
-V(xc)+E(xc) XCENC = 0.01594924
PAW double counting = 0.01722479 -0.01722771
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01269972
---------------------------------------------------
free energy TOTEN = -0.00519762 eV
energy without entropy = -0.00519762
----------------------------------------- Iteration 4( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259062; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258842; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.87340E-02 rms(broyden)= 0.87264E-02
rms(prec ) = 0.13272E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8337
3.1975 2.4093 1.4747 1.0436 1.0436
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00845658
-V(xc)+E(xc) XCENC = 0.01602279
PAW double counting = 0.01728429 -0.01728710
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01269520
---------------------------------------------------
free energy TOTEN = -0.00513181 eV
energy without entropy = -0.00513181
----------------------------------------- Iteration 4( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259067; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.41715E-02 rms(broyden)= 0.41682E-02
rms(prec ) = 0.66035E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9261
3.7368 2.7495 1.9856 1.1590 0.9627 0.9627
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00845032
-V(xc)+E(xc) XCENC = 0.01604856
PAW double counting = 0.01727787 -0.01728062
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01270421
---------------------------------------------------
free energy TOTEN = -0.00510871 eV
energy without entropy = -0.00510871
----------------------------------------- Iteration 4( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259072; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258833; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.21663E-02 rms(broyden)= 0.21635E-02
rms(prec ) = 0.29186E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9563
3.9702 2.8829 2.2258 1.5146 0.8942 1.1033 1.1033
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844663
-V(xc)+E(xc) XCENC = 0.01606496
PAW double counting = 0.01724207 -0.01724483
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01270990
---------------------------------------------------
free energy TOTEN = -0.00509433 eV
energy without entropy = -0.00509433
----------------------------------------- Iteration 4( 10) ---------------------------------------
BZINTS: Fermi energy: 0.259073; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258831; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.75005E-03 rms(broyden)= 0.74836E-03
rms(prec ) = 0.10960E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9578
4.5674 2.8496 2.4941 1.8221 1.0826 1.0826 0.9499 0.8138
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844408
-V(xc)+E(xc) XCENC = 0.01606062
PAW double counting = 0.01723192 -0.01723466
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01271100
---------------------------------------------------
free energy TOTEN = -0.00509721 eV
energy without entropy = -0.00509721
----------------------------------------- Iteration 4( 11) ---------------------------------------
BZINTS: Fermi energy: 0.259074; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258830; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.43851E-03 rms(broyden)= 0.43801E-03
rms(prec ) = 0.62682E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9816
4.7797 2.8954 2.6771 2.0345 1.4470 1.1040 1.1040 0.9531 0.8391
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844286
-V(xc)+E(xc) XCENC = 0.01605963
PAW double counting = 0.01723461 -0.01723737
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01271170
---------------------------------------------------
free energy TOTEN = -0.00509769 eV
energy without entropy = -0.00509769
----------------------------------------- Iteration 4( 12) ---------------------------------------
BZINTS: Fermi energy: 0.259074; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258830; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.15082E-03 rms(broyden)= 0.15057E-03
rms(prec ) = 0.24998E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9838
4.8678 3.3127 2.7573 2.1941 1.7246 1.1016 1.1016 1.0219 0.9341 0.8220
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844324
-V(xc)+E(xc) XCENC = 0.01606004
PAW double counting = 0.01723318 -0.01723592
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01271058
---------------------------------------------------
free energy TOTEN = -0.00509652 eV
energy without entropy = -0.00509652
----------------------------------------- Iteration 4( 13) ---------------------------------------
BZINTS: Fermi energy: 0.259075; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258830; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.77253E-04 rms(broyden)= 0.77134E-04
rms(prec ) = 0.12245E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9955
5.0301 3.5948 2.7875 2.3409 1.8904 1.3696 1.1031 1.1031 1.0189 0.9065
0.8055
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844347
-V(xc)+E(xc) XCENC = 0.01606019
PAW double counting = 0.01723338 -0.01723613
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01271015
---------------------------------------------------
free energy TOTEN = -0.00509617 eV
energy without entropy = -0.00509617
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0113 0.00000
5 0.0208 0.00000
6 0.0653 0.00000
7 0.0147 0.00000
8 0.0400 0.00000
9 0.0205 0.00000
10 -0.0261 0.00000
11 0.0245 0.00000
12 -0.1093 0.00000
13 -0.0692 0.00000
14 -0.0093 0.00000
15 -0.0529 0.00000
16 -0.2139 0.00000
17 -0.1533 0.00000
18 0.0458 0.00000
19 -0.0950 0.00000
20 0.0006 0.00000
21 0.0086 0.00000
22 0.1746 0.00000
23 0.0525 0.00000
24 -0.0117 0.00000
25 0.0852 0.00000
26 0.0875 0.00000
27 0.0826 0.00000
28 0.0078 0.00000
29 0.0926 0.00000
30 -0.0116 0.00000
31 -0.0974 0.00000
32 -0.0248 0.00000
33 0.0427 0.00000
34 0.0641 0.00000
35 0.0398 0.00000
36 -0.1570 0.00000
37 -0.0714 0.00000
38 -0.0193 0.00000
39 -0.1238 0.00000
40 0.0759 0.00000
41 -0.0140 0.00000
42 0.1311 0.00000
43 0.0555 0.00000
44 -0.0349 0.00000
45 -0.0485 0.00000
46 -0.0455 0.00000
47 0.2896 0.00000
48 -0.0394 0.00000
49 0.0369 0.00000
50 0.0490 0.00000
51 0.0294 0.00000
52 0.0057 0.00000
53 0.0705 0.00000
54 -0.0384 0.00000
55 0.0233 0.00000
56 -0.0389 0.00000
57 0.0723 0.00000
58 -0.0202 0.00000
59 -0.0381 0.00000
60 0.0505 0.00000
61 -0.0225 0.00000
62 0.0677 0.00000
63 -0.0868 0.00000
64 -0.0640 0.00000
65 0.0003 0.00000
66 -0.0746 0.00000
67 0.4734 0.00000
68 -0.0216 0.00000
69 -0.0042 0.00000
70 -0.0214 0.00000
71 0.0458 0.00000
72 0.0259 0.00000
73 0.0040 0.00000
74 -0.0024 0.00000
75 -0.0549 0.00000
76 -0.0546 0.00000
77 -0.0850 0.00000
78 -0.0206 0.00000
79 0.0501 0.00000
80 0.0284 0.00000
81 0.0220 0.00000
82 -0.1354 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1737 0.00000
90 0.0091 0.00000
91 -0.0224 0.00000
92 -0.0564 0.00000
93 0.1486 0.00000
94 -0.0619 0.00000
95 0.3705 0.00000
96 0.3353 0.00000
97 0.0352 0.00000
98 -0.0202 0.00000
99 0.0078 0.00000
100 -0.1295 0.00000
101 -0.0472 0.00000
102 0.0202 0.00000
103 -0.0216 0.00000
104 -0.0342 0.00000
105 -0.0121 0.00000
106 0.0710 0.00000
107 0.0495 0.00000
108 0.1391 0.00000
109 0.0321 0.00000
110 -0.0051 0.00000
111 0.0238 0.00000
112 -0.0279 0.00000
113 0.0560 0.00000
114 -0.0454 0.00000
115 -0.0086 0.00000
116 -0.0768 0.00000
117 -0.0485 0.00000
118 -0.0464 0.00000
119 -0.0101 0.00000
120 0.0009 0.00000
121 -0.0399 0.00000
122 -0.0650 0.00000
123 -0.3689 0.00000
124 -0.6363 0.00000
125 -0.2692 0.00000
126 -0.0601 0.00000
127 -0.0828 0.00000
128 -0.0304 0.00000
129 0.9332 0.00000
130 0.1242 0.00000
131 0.0824 0.00000
132 -0.0185 0.00000
133 0.0347 0.00000
134 -0.0150 0.00000
135 0.0508 0.00000
136 -0.0649 0.00000
137 -0.1754 0.00000
138 -0.0577 0.00000
139 0.0626 0.00000
140 0.0836 0.00000
141 -0.0751 0.00000
142 -0.0528 0.00000
143 0.1633 0.00000
144 0.1511 0.00000
145 0.0722 0.00000
146 -0.0348 0.00000
147 -0.0326 0.00000
148 0.0726 0.00000
149 0.0073 0.00000
150 0.0755 0.00000
151 -0.0360 0.00000
152 -0.0513 0.00000
153 -0.0208 0.00000
154 -0.0081 0.00000
155 -0.0004 0.00000
156 0.0203 0.00000
157 0.0411 0.00000
158 0.0630 0.00000
159 -0.1557 0.00000
160 0.0158 0.00000
161 0.0074 0.00000
162 -0.0344 0.00000
163 0.0008 0.00000
164 -0.0288 0.00000
165 -0.0197 0.00000
166 0.0227 0.00000
167 0.0877 0.00000
168 -0.0225 0.00000
169 0.0038 0.00000
170 0.0559 0.00000
171 0.0026 0.00000
172 0.0205 0.00000
173 0.0502 0.00000
174 0.0224 0.00000
175 0.0465 0.00000
176 0.0643 0.00000
177 -0.0343 0.00000
178 -0.0196 0.00000
179 0.0190 0.00000
180 -0.0128 0.00000
181 -0.0350 0.00000
182 0.0611 0.00000
183 0.0100 0.00000
184 0.0451 0.00000
185 -0.0285 0.00000
186 0.0390 0.00000
187 -0.0461 0.00000
188 0.0246 0.00000
189 0.0319 0.00000
190 0.0103 0.00000
191 0.0210 0.00000
192 -0.0091 0.00000
193 0.0537 0.00000
194 0.0193 0.00000
195 0.1532 0.00000
196 0.0232 0.00000
197 0.0299 0.00000
198 0.0630 0.00000
199 -0.0076 0.00000
200 -0.0347 0.00000
201 0.0146 0.00000
202 0.0022 0.00000
203 0.0081 0.00000
204 -0.0456 0.00000
205 0.0567 0.00000
206 -0.0054 0.00000
207 0.0076 0.00000
208 -0.0375 0.00000
209 -0.0196 0.00000
210 0.0163 0.00000
211 0.0478 0.00000
212 0.0122 0.00000
213 0.0251 0.00000
214 0.0393 0.00000
215 -0.1094 0.00000
216 -0.0542 0.00000
217 0.0067 0.00000
218 0.0345 0.00000
219 -0.0085 0.00000
220 0.0260 0.00000
221 0.0042 0.00000
222 -0.0463 0.00000
223 -0.0576 0.00000
224 -0.0657 0.00000
225 0.0378 0.00000
226 0.0422 0.00000
227 -0.0476 0.00000
228 0.0361 0.00000
229 0.0297 0.00000
230 -0.0988 0.00000
231 -0.0260 0.00000
232 -0.0832 0.00000
233 -0.0529 0.00000
234 0.0737 0.00000
235 -0.1688 0.00000
236 -0.0141 0.00000
237 0.0150 0.00000
238 -0.1006 0.00000
239 -0.0040 0.00000
240 -0.0293 0.00000
241 -0.0357 0.00000
242 0.0227 0.00000
243 0.0277 0.00000
244 -0.0240 0.00000
245 -0.0365 0.00000
246 0.0324 0.00000
247 0.0425 0.00000
248 0.0360 0.00000
249 -0.0061 0.00000
250 0.0601 0.00000
251 -0.0689 0.00000
252 -0.1507 0.00000
253 0.0836 0.00000
254 -0.0027 0.00000
255 0.0062 0.00000
256 0.0336 0.00000
257 -0.0023 0.00000
258 0.0570 0.00000
259 0.0617 0.00000
260 0.0714 0.00000
261 0.1287 0.00000
262 -0.0149 0.00000
263 -0.0047 0.00000
264 0.0227 0.00000
265 -0.0056 0.00000
266 -0.0077 0.00000
267 0.0208 0.00000
268 0.0835 0.00000
269 0.0345 0.00000
270 0.0554 0.00000
271 -0.0117 0.00000
272 0.0925 0.00000
273 0.0671 0.00000
274 0.0216 0.00000
275 0.0744 0.00000
276 0.1227 0.00000
277 0.0181 0.00000
278 -0.1504 0.00000
279 0.0359 0.00000
280 -0.0082 0.00000
281 -0.0365 0.00000
282 -0.0172 0.00000
283 0.0702 0.00000
284 0.0431 0.00000
285 0.0557 0.00000
286 0.0371 0.00000
287 0.0843 0.00000
288 -0.2044 0.00000
289 0.1134 0.00000
290 0.2144 0.00000
291 -0.0111 0.00000
292 0.0424 0.00000
293 -0.0036 0.00000
294 -0.0566 0.00000
295 0.3353 0.00000
296 -0.1387 0.00000
297 -0.1073 0.00000
298 0.0285 0.00000
299 0.0373 0.00000
300 0.0065 0.00000
301 0.0105 0.00000
302 -0.0378 0.00000
303 -0.0488 0.00000
304 0.0855 0.00000
305 0.0245 0.00000
306 0.0522 0.00000
307 0.0579 0.00000
308 -0.0600 0.00000
309 -0.1527 0.00000
310 0.1308 0.00000
311 -0.0464 0.00000
312 0.0348 0.00000
313 -0.0633 0.00000
314 -0.0438 0.00000
315 -0.0576 0.00000
316 0.1307 0.00000
317 -0.0093 0.00000
318 -0.0187 0.00000
319 0.0521 0.00000
320 -0.0623 0.00000
321 0.0364 0.00000
322 -0.0556 0.00000
323 -0.0549 0.00000
324 0.0454 0.00000
325 -0.0219 0.00000
326 0.0115 0.00000
327 -0.0359 0.00000
328 -0.0060 0.00000
329 0.0041 0.00000
330 -0.0282 0.00000
331 -0.0349 0.00000
332 -0.0341 0.00000
333 0.0992 0.00000
334 0.0102 0.00000
335 -0.0555 0.00000
336 -0.0275 0.00000
337 -0.0158 0.00000
338 -0.0117 0.00000
339 -0.0466 0.00000
340 0.0280 0.00000
341 0.0672 0.00000
342 -0.0025 0.00000
343 0.0812 0.00000
344 0.0082 0.00000
345 -0.0366 0.00000
346 -0.0227 0.00000
347 -0.0736 0.00000
348 -0.0278 0.00000
349 0.0389 0.00000
350 -0.0299 0.00000
351 0.0084 0.00000
352 0.0022 0.00000
353 -0.0526 0.00000
354 -0.1215 0.00000
355 0.0592 0.00000
356 0.0188 0.00000
357 0.0718 0.00000
358 -0.0099 0.00000
359 0.0029 0.00000
360 0.0438 0.00000
361 0.0220 0.00000
362 -0.0046 0.00000
363 -0.0070 0.00000
364 -0.0251 0.00000
365 0.0049 0.00000
366 0.0214 0.00000
367 -0.0336 0.00000
368 0.0133 0.00000
369 0.0542 0.00000
370 -0.0490 0.00000
371 0.0356 0.00000
372 0.0123 0.00000
373 -0.0215 0.00000
374 0.0170 0.00000
375 0.0401 0.00000
376 0.0443 0.00000
377 0.0176 0.00000
378 -0.0581 0.00000
379 0.0382 0.00000
380 -0.0272 0.00000
381 -0.0089 0.00000
382 -0.0337 0.00000
383 -0.0147 0.00000
384 0.0322 0.00000
385 0.0121 0.00000
386 -0.1005 0.00000
387 -0.0085 0.00000
388 -0.0132 0.00000
389 0.0289 0.00000
390 -0.0414 0.00000
391 0.0664 0.00000
392 -0.0512 0.00000
393 0.0154 0.00000
394 0.0490 0.00000
395 0.0076 0.00000
396 -0.0119 0.00000
397 0.0556 0.00000
398 0.0105 0.00000
399 0.0195 0.00000
400 0.0114 0.00000
401 -0.0116 0.00000
402 0.0017 0.00000
403 0.0337 0.00000
404 0.0014 0.00000
405 0.0727 0.00000
406 0.0296 0.00000
407 -0.0056 0.00000
408 0.0483 0.00000
409 -0.0404 0.00000
410 0.0451 0.00000
411 0.0182 0.00000
412 -0.0310 0.00000
413 0.0170 0.00000
414 -0.0129 0.00000
415 0.0257 0.00000
416 0.0192 0.00000
417 0.0035 0.00000
418 -0.0000 0.00000
419 0.0273 0.00000
420 -0.0415 0.00000
421 0.0085 0.00000
422 0.0173 0.00000
423 -0.0112 0.00000
424 -0.0198 0.00000
425 -0.0161 0.00000
426 -0.0244 0.00000
427 0.0080 0.00000
428 0.0106 0.00000
429 0.0511 0.00000
430 0.0231 0.00000
431 -0.0012 0.00000
432 -0.0182 0.00000
433 0.0111 0.00000
434 -0.0534 0.00000
435 -0.0040 0.00000
436 0.0077 0.00000
437 0.0081 0.00000
438 0.0787 0.00000
439 0.0298 0.00000
440 0.0533 0.00000
441 0.0395 0.00000
442 0.0005 0.00000
443 -0.0138 0.00000
444 0.0700 0.00000
445 0.0278 0.00000
446 -0.0501 0.00000
447 0.0179 0.00000
448 0.0138 0.00000
449 -0.0083 0.00000
450 -0.0024 0.00000
451 0.0221 0.00000
452 0.0951 0.00000
453 0.0229 0.00000
454 0.0169 0.00000
455 -0.0445 0.00000
456 0.0187 0.00000
457 -0.0082 0.00000
458 0.0053 0.00000
459 0.0142 0.00000
460 -0.0048 0.00000
461 0.0369 0.00000
462 0.0139 0.00000
463 -0.0433 0.00000
464 0.0199 0.00000
465 -0.0176 0.00000
466 -0.0259 0.00000
467 0.0368 0.00000
468 0.0152 0.00000
469 0.0374 0.00000
470 0.0217 0.00000
471 0.0078 0.00000
472 0.0189 0.00000
473 -0.0492 0.00000
474 0.0319 0.00000
475 -0.0405 0.00000
476 -0.0046 0.00000
477 0.0043 0.00000
478 0.0486 0.00000
479 -0.0041 0.00000
480 0.0162 0.00000
481 -0.0657 0.00000
482 0.0313 0.00000
483 -0.0328 0.00000
484 -0.0210 0.00000
485 0.0764 0.00000
486 -0.0305 0.00000
487 0.0156 0.00000
488 0.0177 0.00000
489 -0.0048 0.00000
490 0.0205 0.00000
491 0.1204 0.00000
492 0.0308 0.00000
493 0.0634 0.00000
494 0.1296 0.00000
495 0.0027 0.00000
496 -0.0154 0.00000
497 0.0248 0.00000
498 0.0148 0.00000
499 0.0315 0.00000
500 -0.0288 0.00000
501 -0.0224 0.00000
502 0.0101 0.00000
503 0.0518 0.00000
504 -0.0806 0.00000
505 0.0018 0.00000
506 0.0504 0.00000
507 0.0913 0.00000
508 -0.0185 0.00000
509 0.0447 0.00000
510 0.0355 0.00000
511 -0.0038 0.00000
512 0.0202 0.00000
513 0.0221 0.00000
514 0.0181 0.00000
515 0.0163 0.00000
516 0.0175 0.00000
517 0.0057 0.00000
518 0.0650 0.00000
519 0.0186 0.00000
520 -0.0781 0.00000
521 0.0244 0.00000
522 -0.0070 0.00000
523 -0.0222 0.00000
524 0.0294 0.00000
525 -0.0250 0.00000
526 -0.0357 0.00000
527 -0.0253 0.00000
528 0.0130 0.00000
529 -0.0376 0.00000
530 -0.0652 0.00000
531 0.0159 0.00000
532 0.0020 0.00000
533 0.0050 0.00000
534 -0.0297 0.00000
535 -0.0707 0.00000
536 -0.0120 0.00000
537 -0.0058 0.00000
538 -0.3219 0.00000
539 0.0188 0.00000
540 0.0346 0.00000
541 -0.0070 0.00000
542 -0.0230 0.00000
543 -0.0720 0.00000
544 0.1673 0.00000
545 -0.0705 0.00000
546 0.0272 0.00000
547 0.1073 0.00000
548 -0.0319 0.00000
549 0.0412 0.00000
550 -0.0235 0.00000
551 0.0557 0.00000
552 -0.0007 0.00000
553 -0.0865 0.00000
554 -0.0866 0.00000
555 -0.0808 0.00000
556 -0.0752 0.00000
557 -0.0361 0.00000
558 0.0591 0.00000
559 -0.0130 0.00000
560 -0.0607 0.00000
561 0.0874 0.00000
562 -0.0318 0.00000
563 0.0281 0.00000
564 -0.0224 0.00000
565 -0.0697 0.00000
566 0.0090 0.00000
567 -0.0273 0.00000
568 0.0462 0.00000
569 0.0259 0.00000
570 -0.0834 0.00000
571 0.0566 0.00000
572 0.0351 0.00000
573 0.0290 0.00000
574 0.0684 0.00000
575 -0.0632 0.00000
576 0.0428 0.00000
577 0.2531 0.00000
578 -0.1540 0.00000
579 -0.0344 0.00000
580 0.0359 0.00000
581 0.3632 0.00000
582 -0.0657 0.00000
583 0.0028 0.00000
584 -0.0092 0.00000
585 -0.0048 0.00000
586 0.0490 0.00000
587 0.0325 0.00000
588 0.0412 0.00000
589 0.0159 0.00000
590 -0.0036 0.00000
591 0.0105 0.00000
592 -0.0129 0.00000
593 -0.0185 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0291 0.00000
598 -0.0224 0.00000
599 -0.0458 0.00000
600 -0.0331 0.00000
601 -0.0317 0.00000
602 -0.0078 0.00000
603 0.0540 0.00000
604 -0.0146 0.00000
605 0.0544 0.00000
606 0.0278 0.00000
607 0.0071 0.00000
608 0.0457 0.00000
609 0.0117 0.00000
610 0.0691 0.00000
611 -0.0135 0.00000
612 0.0028 0.00000
613 -0.0087 0.00000
614 0.0482 0.00000
615 0.0507 0.00000
616 0.0068 0.00000
617 -0.1019 0.00000
618 0.0185 0.00000
619 0.0600 0.00000
620 -0.0028 0.00000
621 -0.0052 0.00000
622 0.0246 0.00000
623 -0.0219 0.00000
624 -0.0524 0.00000
625 0.1259 0.00000
626 0.0904 0.00000
627 -0.0840 0.00000
628 0.0411 0.00000
629 0.0070 0.00000
630 -0.0031 0.00000
631 -0.0227 0.00000
632 -0.0058 0.00000
633 0.0293 0.00000
634 0.0574 0.00000
635 -0.0337 0.00000
636 0.0003 0.00000
637 0.0367 0.00000
638 -0.0536 0.00000
639 -0.0075 0.00000
640 0.0083 0.00000
641 -0.0616 0.00000
642 -0.0351 0.00000
643 -0.0717 0.00000
644 -0.0559 0.00000
645 -0.0107 0.00000
646 -0.0127 0.00000
647 0.0166 0.00000
648 0.0407 0.00000
649 -0.0272 0.00000
650 0.0529 0.00000
651 0.0259 0.00000
652 -0.0495 0.00000
653 0.0166 0.00000
654 0.0016 0.00000
655 -0.0259 0.00000
656 0.0159 0.00000
657 0.1092 0.00000
658 0.0110 0.00000
659 0.0549 0.00000
660 -0.0174 0.00000
661 -0.0403 0.00000
662 -0.0733 0.00000
663 0.0683 0.00000
664 0.0360 0.00000
665 0.0364 0.00000
666 -0.0078 0.00000
667 -0.1192 0.00000
668 0.0043 0.00000
669 0.0501 0.00000
670 0.0175 0.00000
671 0.0374 0.00000
672 0.0019 0.00000
673 -0.1210 0.00000
674 -0.0136 0.00000
675 0.0615 0.00000
676 -0.0149 0.00000
677 -0.0320 0.00000
678 0.0232 0.00000
679 -0.0069 0.00000
680 0.1139 0.00000
681 -0.0032 0.00000
682 0.1192 0.00000
683 0.1586 0.00000
684 -0.0187 0.00000
685 0.0870 0.00000
686 0.0326 0.00000
687 0.0354 0.00000
688 -0.0657 0.00000
689 0.0055 0.00000
690 0.0260 0.00000
691 -0.1023 0.00000
692 0.0492 0.00000
693 -0.0115 0.00000
694 0.0322 0.00000
695 0.0438 0.00000
696 0.0389 0.00000
697 -0.0234 0.00000
698 0.0633 0.00000
699 0.0981 0.00000
700 0.0360 0.00000
701 0.0249 0.00000
702 -0.0255 0.00000
703 -0.0018 0.00000
704 0.0192 0.00000
705 -0.0479 0.00000
706 -0.1556 0.00000
707 0.0177 0.00000
708 -0.0072 0.00000
709 -0.0367 0.00000
710 0.0264 0.00000
711 0.0655 0.00000
712 0.0388 0.00000
713 0.0099 0.00000
714 -0.0324 0.00000
715 0.0188 0.00000
716 0.0052 0.00000
717 0.0064 0.00000
718 -0.0626 0.00000
719 -0.0297 0.00000
720 -0.0044 0.00000
721 -0.0066 0.00000
722 0.0103 0.00000
723 -0.0233 0.00000
724 0.0942 0.00000
725 0.0093 0.00000
726 -0.0025 0.00000
727 0.0062 0.00000
728 0.0407 0.00000
729 0.0106 0.00000
730 -0.0054 0.00000
731 0.0267 0.00000
732 0.0050 0.00000
733 -0.0001 0.00000
734 -0.0089 0.00000
735 0.0207 0.00000
736 -0.0446 0.00000
737 0.0118 0.00000
738 0.0573 0.00000
739 -0.0380 0.00000
740 -0.0316 0.00000
741 0.1157 0.00000
742 -0.0010 0.00000
743 0.1016 0.00000
744 0.0473 0.00000
745 -0.0081 0.00000
746 0.0029 0.00000
747 0.0458 0.00000
748 -0.0352 0.00000
749 0.0035 0.00000
750 0.0172 0.00000
751 0.0057 0.00000
752 0.0024 0.00000
753 -0.0061 0.00000
754 0.0073 0.00000
755 0.0362 0.00000
756 -0.0157 0.00000
757 -0.0717 0.00000
758 0.0136 0.00000
759 0.0016 0.00000
760 0.0189 0.00000
761 0.0783 0.00000
762 -0.0008 0.00000
763 0.0222 0.00000
764 -0.0474 0.00000
765 -0.0061 0.00000
766 0.0659 0.00000
767 -0.0337 0.00000
768 0.0121 0.00000
769 -0.0234 0.00000
770 -0.0031 0.00000
771 -0.0406 0.00000
772 -0.0474 0.00000
773 -0.0108 0.00000
774 -0.0158 0.00000
775 0.0205 0.00000
776 -0.0054 0.00000
777 -0.0069 0.00000
778 -0.0010 0.00000
779 0.0443 0.00000
780 0.0095 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0108 0.00000
5 0.0212 0.00000
6 0.0655 0.00000
7 0.0146 0.00000
8 0.0395 0.00000
9 0.0202 0.00000
10 -0.0250 0.00000
11 0.0247 0.00000
12 -0.1099 0.00000
13 -0.0691 0.00000
14 -0.0094 0.00000
15 -0.0535 0.00000
16 -0.2153 0.00000
17 -0.1513 0.00000
18 0.0437 0.00000
19 -0.1054 0.00000
20 0.0118 0.00000
21 0.0089 0.00000
22 0.1837 0.00000
23 0.0596 0.00000
24 0.0417 0.00000
25 0.0135 0.00000
26 0.0893 0.00000
27 0.0840 0.00000
28 -0.0353 0.00000
29 0.1314 0.00000
30 0.0132 0.00000
31 -0.1020 0.00000
32 -0.0361 0.00000
33 0.0426 0.00000
34 0.0639 0.00000
35 0.0399 0.00000
36 -0.1600 0.00000
37 -0.0702 0.00000
38 -0.0172 0.00000
39 -0.1229 0.00000
40 0.0758 0.00000
41 -0.0172 0.00000
42 0.1100 0.00000
43 0.0564 0.00000
44 -0.0449 0.00000
45 0.0214 0.00000
46 -0.0201 0.00000
47 0.2254 0.00000
48 -0.0378 0.00000
49 0.0600 0.00000
50 0.0078 0.00000
51 0.0242 0.00000
52 0.0183 0.00000
53 0.0730 0.00000
54 -0.0034 0.00000
55 -0.0073 0.00000
56 -0.0393 0.00000
57 0.0709 0.00000
58 -0.0194 0.00000
59 -0.0352 0.00000
60 0.0499 0.00000
61 0.0003 0.00000
62 -0.0092 0.00000
63 0.0334 0.00000
64 -0.1318 0.00000
65 -0.0064 0.00000
66 -0.0692 0.00000
67 0.0342 0.00000
68 0.4190 0.00000
69 -0.0104 0.00000
70 0.0458 0.00000
71 -0.0168 0.00000
72 0.0260 0.00000
73 0.0102 0.00000
74 -0.0071 0.00000
75 -0.0580 0.00000
76 -0.0509 0.00000
77 -0.0836 0.00000
78 -0.0307 0.00000
79 0.0577 0.00000
80 0.0279 0.00000
81 0.0222 0.00000
82 -0.1353 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1780 0.00000
90 0.0059 0.00000
91 -0.0224 0.00000
92 -0.0593 0.00000
93 0.1316 0.00000
94 -0.0347 0.00000
95 0.3630 0.00000
96 0.3263 0.00000
97 0.0371 0.00000
98 -0.0076 0.00000
99 -0.0042 0.00000
100 -0.1128 0.00000
101 -0.0509 0.00000
102 0.0216 0.00000
103 -0.0285 0.00000
104 -0.0601 0.00000
105 0.0245 0.00000
106 0.0571 0.00000
107 0.0633 0.00000
108 0.1058 0.00000
109 0.0434 0.00000
110 0.0580 0.00000
111 -0.0342 0.00000
112 -0.0106 0.00000
113 0.0681 0.00000
114 -0.0465 0.00000
115 -0.0491 0.00000
116 -0.0541 0.00000
117 -0.0561 0.00000
118 -0.0441 0.00000
119 -0.0022 0.00000
120 -0.0024 0.00000
121 -0.0534 0.00000
122 -0.0596 0.00000
123 -0.2328 0.00000
124 -0.9629 0.00000
125 -0.0810 0.00000
126 -0.0458 0.00000
127 -0.0917 0.00000
128 -0.0289 0.00000
129 0.9689 0.00000
130 0.1651 0.00000
131 0.0403 0.00000
132 -0.0847 0.00000
133 0.0730 0.00000
134 -0.0229 0.00000
135 0.0510 0.00000
136 -0.0782 0.00000
137 -0.1657 0.00000
138 -0.0548 0.00000
139 0.0645 0.00000
140 0.0811 0.00000
141 -0.0740 0.00000
142 -0.0602 0.00000
143 0.1686 0.00000
144 0.1519 0.00000
145 0.0664 0.00000
146 -0.0283 0.00000
147 -0.0333 0.00000
148 0.0859 0.00000
149 -0.0057 0.00000
150 0.0730 0.00000
151 -0.0423 0.00000
152 -0.0125 0.00000
153 -0.0485 0.00000
154 -0.0059 0.00000
155 0.0010 0.00000
156 0.0178 0.00000
157 -0.0011 0.00000
158 0.1574 0.00000
159 -0.1110 0.00000
160 -0.0437 0.00000
161 -0.0277 0.00000
162 -0.0017 0.00000
163 0.0240 0.00000
164 -0.0893 0.00000
165 0.0142 0.00000
166 -0.0077 0.00000
167 -0.0212 0.00000
168 -0.0016 0.00000
169 0.1206 0.00000
170 -0.0092 0.00000
171 0.1365 0.00000
172 -0.0454 0.00000
173 -0.0086 0.00000
174 0.0770 0.00000
175 0.0272 0.00000
176 -0.0000 0.00000
177 0.0042 0.00000
178 0.0138 0.00000
179 -0.0153 0.00000
180 0.0164 0.00000
181 -0.0216 0.00000
182 0.0269 0.00000
183 0.0343 0.00000
184 0.0263 0.00000
185 -0.0318 0.00000
186 0.0987 0.00000
187 -0.0802 0.00000
188 -0.0179 0.00000
189 0.0331 0.00000
190 0.0276 0.00000
191 0.0249 0.00000
192 -0.0159 0.00000
193 0.0342 0.00000
194 0.0252 0.00000
195 0.1968 0.00000
196 -0.0136 0.00000
197 0.0847 0.00000
198 0.0302 0.00000
199 -0.0148 0.00000
200 -0.0040 0.00000
201 -0.0034 0.00000
202 -0.0007 0.00000
203 0.0352 0.00000
204 -0.0102 0.00000
205 -0.0154 0.00000
206 0.0015 0.00000
207 -0.0551 0.00000
208 0.0375 0.00000
209 -0.0432 0.00000
210 -0.0328 0.00000
211 0.0604 0.00000
212 -0.0011 0.00000
213 -0.0041 0.00000
214 0.1285 0.00000
215 -0.1578 0.00000
216 -0.0423 0.00000
217 0.0871 0.00000
218 0.0300 0.00000
219 0.0149 0.00000
220 -0.0493 0.00000
221 0.0105 0.00000
222 -0.0554 0.00000
223 -0.0486 0.00000
224 -0.0819 0.00000
225 0.1308 0.00000
226 -0.0384 0.00000
227 -0.0571 0.00000
228 0.0203 0.00000
229 0.0277 0.00000
230 -0.0746 0.00000
231 -0.0257 0.00000
232 -0.0816 0.00000
233 -0.0527 0.00000
234 0.0793 0.00000
235 -0.1611 0.00000
236 -0.0371 0.00000
237 0.0234 0.00000
238 -0.0876 0.00000
239 0.0357 0.00000
240 -0.0402 0.00000
241 -0.0696 0.00000
242 0.0233 0.00000
243 0.0078 0.00000
244 -0.0432 0.00000
245 -0.0308 0.00000
246 0.0192 0.00000
247 0.0332 0.00000
248 0.0214 0.00000
249 0.0231 0.00000
250 0.0739 0.00000
251 -0.0140 0.00000
252 -0.1418 0.00000
253 0.0171 0.00000
254 0.0185 0.00000
255 0.0119 0.00000
256 0.0168 0.00000
257 0.0168 0.00000
258 0.0560 0.00000
259 0.1208 0.00000
260 0.0371 0.00000
261 0.0850 0.00000
262 0.0103 0.00000
263 0.0018 0.00000
264 0.0139 0.00000
265 0.0134 0.00000
266 -0.0102 0.00000
267 0.0384 0.00000
268 0.0193 0.00000
269 0.0197 0.00000
270 0.0718 0.00000
271 0.0373 0.00000
272 0.0150 0.00000
273 0.2702 0.00000
274 -0.0175 0.00000
275 -0.0048 0.00000
276 0.0577 0.00000
277 0.0274 0.00000
278 0.0020 0.00000
279 -0.0760 0.00000
280 0.0225 0.00000
281 -0.0384 0.00000
282 -0.0556 0.00000
283 0.0117 0.00000
284 0.0261 0.00000
285 0.0470 0.00000
286 0.0995 0.00000
287 0.0557 0.00000
288 0.1690 0.00000
289 0.0271 0.00000
290 -0.1145 0.00000
291 -0.1005 0.00000
292 0.2669 0.00000
293 0.1432 0.00000
294 -0.0446 0.00000
295 -0.0517 0.00000
296 -0.0036 0.00000
297 -0.0237 0.00000
298 0.0095 0.00000
299 -0.1237 0.00000
300 0.1131 0.00000
301 -0.0517 0.00000
302 -0.0093 0.00000
303 0.1070 0.00000
304 -0.0589 0.00000
305 0.0697 0.00000
306 -0.0766 0.00000
307 0.0128 0.00000
308 0.1297 0.00000
309 0.0156 0.00000
310 -0.1321 0.00000
311 -0.0169 0.00000
312 0.0026 0.00000
313 0.1353 0.00000
314 -0.1179 0.00000
315 -0.0190 0.00000
316 0.0768 0.00000
317 -0.0314 0.00000
318 -0.0472 0.00000
319 0.0059 0.00000
320 0.0078 0.00000
321 -0.1711 0.00000
322 0.0577 0.00000
323 0.0298 0.00000
324 0.0017 0.00000
325 0.0513 0.00000
326 0.0526 0.00000
327 -0.0410 0.00000
328 -0.0171 0.00000
329 -0.0067 0.00000
330 -0.0239 0.00000
331 -0.0000 0.00000
332 0.0226 0.00000
333 -0.0327 0.00000
334 0.0277 0.00000
335 -0.0133 0.00000
336 -0.0086 0.00000
337 -0.0274 0.00000
338 -0.0388 0.00000
339 -0.0584 0.00000
340 0.0679 0.00000
341 0.0341 0.00000
342 -0.0224 0.00000
343 0.0194 0.00000
344 0.0060 0.00000
345 0.0410 0.00000
346 -0.1165 0.00000
347 -0.0293 0.00000
348 0.0258 0.00000
349 0.0298 0.00000
350 0.0077 0.00000
351 0.0288 0.00000
352 -0.1896 0.00000
353 0.0179 0.00000
354 -0.0260 0.00000
355 0.0378 0.00000
356 -0.0042 0.00000
357 0.0699 0.00000
358 0.0312 0.00000
359 -0.0157 0.00000
360 -0.0142 0.00000
361 -0.0255 0.00000
362 0.0166 0.00000
363 0.0293 0.00000
364 0.0384 0.00000
365 -0.0139 0.00000
366 0.0091 0.00000
367 -0.0195 0.00000
368 -0.0135 0.00000
369 -0.0148 0.00000
370 0.0249 0.00000
371 0.0463 0.00000
372 -0.0278 0.00000
373 0.0417 0.00000
374 0.0148 0.00000
375 0.0541 0.00000
376 -0.0045 0.00000
377 -0.1241 0.00000
378 0.0419 0.00000
379 0.0002 0.00000
380 0.0348 0.00000
381 -0.0050 0.00000
382 -0.0577 0.00000
383 -0.0100 0.00000
384 -0.0083 0.00000
385 -0.0085 0.00000
386 0.0387 0.00000
387 -0.0208 0.00000
388 -0.0127 0.00000
389 0.0207 0.00000
390 0.0132 0.00000
391 -0.0104 0.00000
392 0.0031 0.00000
393 -0.0127 0.00000
394 -0.0069 0.00000
395 0.0255 0.00000
396 0.0360 0.00000
397 0.0432 0.00000
398 -0.0017 0.00000
399 0.0051 0.00000
400 -0.0079 0.00000
401 0.0258 0.00000
402 0.0004 0.00000
403 0.0427 0.00000
404 0.0461 0.00000
405 -0.0095 0.00000
406 0.0350 0.00000
407 0.0052 0.00000
408 0.0057 0.00000
409 0.0083 0.00000
410 0.0136 0.00000
411 -0.0004 0.00000
412 0.0169 0.00000
413 0.0569 0.00000
414 -0.0073 0.00000
415 -0.0262 0.00000
416 -0.0148 0.00000
417 0.0119 0.00000
418 -0.0478 0.00000
419 0.1056 0.00000
420 -0.0059 0.00000
421 0.0004 0.00000
422 -0.0268 0.00000
423 0.0198 0.00000
424 -0.0266 0.00000
425 -0.0115 0.00000
426 -0.0025 0.00000
427 -0.0081 0.00000
428 0.0256 0.00000
429 0.0379 0.00000
430 -0.0060 0.00000
431 -0.0021 0.00000
432 0.0088 0.00000
433 -0.0052 0.00000
434 -0.0228 0.00000
435 0.0083 0.00000
436 0.0005 0.00000
437 0.0027 0.00000
438 0.0232 0.00000
439 0.0672 0.00000
440 0.0465 0.00000
441 -0.0148 0.00000
442 0.0093 0.00000
443 -0.0086 0.00000
444 -0.0522 0.00000
445 0.0067 0.00000
446 0.0132 0.00000
447 -0.0065 0.00000
448 0.0358 0.00000
449 0.2118 0.00000
450 -0.0226 0.00000
451 -0.0156 0.00000
452 0.0292 0.00000
453 -0.0001 0.00000
454 0.0052 0.00000
455 0.0447 0.00000
456 -0.0036 0.00000
457 0.0023 0.00000
458 0.0662 0.00000
459 -0.0375 0.00000
460 0.0038 0.00000
461 0.0423 0.00000
462 -0.0066 0.00000
463 0.0121 0.00000
464 -0.0114 0.00000
465 -0.0092 0.00000
466 0.0178 0.00000
467 -0.0443 0.00000
468 0.0232 0.00000
469 -0.0060 0.00000
470 -0.0430 0.00000
471 0.0156 0.00000
472 0.0159 0.00000
473 0.0435 0.00000
474 -0.0690 0.00000
475 -0.0263 0.00000
476 0.0230 0.00000
477 0.0527 0.00000
478 0.0013 0.00000
479 0.0231 0.00000
480 -0.0277 0.00000
481 0.0022 0.00000
482 0.0183 0.00000
483 -0.0123 0.00000
484 0.0715 0.00000
485 0.0018 0.00000
486 0.0011 0.00000
487 0.0420 0.00000
488 -0.0148 0.00000
489 0.0410 0.00000
490 0.0204 0.00000
491 0.0360 0.00000
492 0.0245 0.00000
493 0.0258 0.00000
494 0.0155 0.00000
495 0.0090 0.00000
496 -0.0022 0.00000
497 0.0102 0.00000
498 -0.0099 0.00000
499 -0.0425 0.00000
500 0.1052 0.00000
501 0.0012 0.00000
502 0.0136 0.00000
503 0.0350 0.00000
504 0.0271 0.00000
505 0.0200 0.00000
506 -0.0439 0.00000
507 0.0395 0.00000
508 0.0321 0.00000
509 0.0797 0.00000
510 0.0286 0.00000
511 0.0182 0.00000
512 0.1200 0.00000
513 0.0010 0.00000
514 0.0099 0.00000
515 0.0080 0.00000
516 0.0454 0.00000
517 0.0181 0.00000
518 -0.0136 0.00000
519 -0.0268 0.00000
520 0.0688 0.00000
521 0.0205 0.00000
522 0.0020 0.00000
523 -0.0846 0.00000
524 -0.0316 0.00000
525 -0.0280 0.00000
526 -0.1284 0.00000
527 -0.0145 0.00000
528 -0.0198 0.00000
529 0.0344 0.00000
530 0.0345 0.00000
531 -0.0181 0.00000
532 0.0207 0.00000
533 -0.0589 0.00000
534 -0.1053 0.00000
535 -0.0194 0.00000
536 -0.0003 0.00000
537 -0.2029 0.00000
538 0.0788 0.00000
539 -0.0355 0.00000
540 -0.0553 0.00000
541 -0.0795 0.00000
542 0.0547 0.00000
543 0.0382 0.00000
544 0.0267 0.00000
545 0.0691 0.00000
546 -0.0876 0.00000
547 0.0354 0.00000
548 -0.0981 0.00000
549 0.0026 0.00000
550 0.0260 0.00000
551 0.1073 0.00000
552 0.0155 0.00000
553 -0.0646 0.00000
554 -0.0249 0.00000
555 0.0117 0.00000
556 -0.0648 0.00000
557 -0.0045 0.00000
558 -0.0618 0.00000
559 -0.0885 0.00000
560 -0.0154 0.00000
561 0.0363 0.00000
562 0.0014 0.00000
563 -0.0325 0.00000
564 0.0196 0.00000
565 0.0210 0.00000
566 -0.0450 0.00000
567 -0.2136 0.00000
568 0.0715 0.00000
569 -0.0108 0.00000
570 0.0181 0.00000
571 0.0379 0.00000
572 -0.0229 0.00000
573 0.0339 0.00000
574 -0.0095 0.00000
575 0.3960 0.00000
576 0.0127 0.00000
577 0.1254 0.00000
578 -0.1843 0.00000
579 -0.0547 0.00000
580 0.1207 0.00000
581 0.1296 0.00000
582 -0.0764 0.00000
583 0.1061 0.00000
584 0.0383 0.00000
585 -0.0173 0.00000
586 0.0257 0.00000
587 0.0280 0.00000
588 0.0490 0.00000
589 0.0159 0.00000
590 -0.0123 0.00000
591 0.0171 0.00000
592 -0.0116 0.00000
593 -0.0185 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0290 0.00000
598 -0.0075 0.00000
599 -0.0774 0.00000
600 -0.0113 0.00000
601 -0.0170 0.00000
602 -0.0231 0.00000
603 0.0781 0.00000
604 0.0057 0.00000
605 0.0171 0.00000
606 0.0080 0.00000
607 0.0099 0.00000
608 0.0234 0.00000
609 0.0236 0.00000
610 0.0618 0.00000
611 0.0060 0.00000
612 -0.0007 0.00000
613 0.0312 0.00000
614 0.0147 0.00000
615 -0.0084 0.00000
616 0.0201 0.00000
617 -0.0025 0.00000
618 0.0004 0.00000
619 0.0345 0.00000
620 0.0224 0.00000
621 -0.0077 0.00000
622 0.0746 0.00000
623 0.0508 0.00000
624 0.0026 0.00000
625 -0.0460 0.00000
626 0.0364 0.00000
627 -0.0277 0.00000
628 0.0274 0.00000
629 0.0117 0.00000
630 0.0269 0.00000
631 0.0063 0.00000
632 0.0200 0.00000
633 -0.0245 0.00000
634 -0.0009 0.00000
635 -0.0316 0.00000
636 0.0357 0.00000
637 -0.0041 0.00000
638 -0.1413 0.00000
639 0.0273 0.00000
640 0.0151 0.00000
641 -0.1024 0.00000
642 -0.0169 0.00000
643 0.0126 0.00000
644 -0.0686 0.00000
645 0.0315 0.00000
646 0.0409 0.00000
647 0.0160 0.00000
648 -0.0237 0.00000
649 -0.1451 0.00000
650 0.0130 0.00000
651 0.0226 0.00000
652 0.0004 0.00000
653 -0.0012 0.00000
654 -0.0039 0.00000
655 0.0347 0.00000
656 0.0101 0.00000
657 0.0211 0.00000
658 0.0151 0.00000
659 -0.0291 0.00000
660 0.0287 0.00000
661 -0.0159 0.00000
662 0.0242 0.00000
663 0.0330 0.00000
664 -0.0295 0.00000
665 -0.0024 0.00000
666 0.0049 0.00000
667 -0.0432 0.00000
668 0.0586 0.00000
669 0.0109 0.00000
670 0.0653 0.00000
671 0.1013 0.00000
672 0.0142 0.00000
673 0.0306 0.00000
674 -0.0455 0.00000
675 -0.0022 0.00000
676 0.0051 0.00000
677 0.0834 0.00000
678 0.0399 0.00000
679 0.0515 0.00000
680 0.0057 0.00000
681 0.0019 0.00000
682 0.0034 0.00000
683 0.0468 0.00000
684 0.0598 0.00000
685 -0.1237 0.00000
686 -0.0590 0.00000
687 0.0054 0.00000
688 -0.0104 0.00000
689 0.0429 0.00000
690 0.0535 0.00000
691 -0.0513 0.00000
692 0.0368 0.00000
693 0.0762 0.00000
694 0.1395 0.00000
695 0.0522 0.00000
696 0.0382 0.00000
697 0.0680 0.00000
698 0.0187 0.00000
699 0.0196 0.00000
700 -0.0356 0.00000
701 -0.0472 0.00000
702 0.0423 0.00000
703 -0.0145 0.00000
704 0.0273 0.00000
705 0.0137 0.00000
706 0.0347 0.00000
707 -0.0876 0.00000
708 0.0332 0.00000
709 0.0446 0.00000
710 0.0234 0.00000
711 -0.0063 0.00000
712 -0.0058 0.00000
713 -0.0087 0.00000
714 -0.0230 0.00000
715 0.0039 0.00000
716 -0.0566 0.00000
717 -0.0037 0.00000
718 0.0095 0.00000
719 0.0221 0.00000
720 -0.0174 0.00000
721 -0.0901 0.00000
722 0.0268 0.00000
723 0.0347 0.00000
724 -0.0472 0.00000
725 -0.0157 0.00000
726 -0.0439 0.00000
727 -0.0268 0.00000
728 0.0309 0.00000
729 0.0570 0.00000
730 -0.0118 0.00000
731 0.0011 0.00000
732 0.0010 0.00000
733 0.0056 0.00000
734 -0.0207 0.00000
735 0.0970 0.00000
736 -0.0037 0.00000
737 0.0174 0.00000
738 0.0139 0.00000
739 0.0418 0.00000
740 -0.0052 0.00000
741 -0.0075 0.00000
742 0.0118 0.00000
743 0.0054 0.00000
744 0.0178 0.00000
745 -0.0164 0.00000
746 0.0757 0.00000
747 -0.0312 0.00000
748 0.0300 0.00000
749 0.0035 0.00000
750 0.0120 0.00000
751 0.0112 0.00000
752 -0.0080 0.00000
753 -0.0531 0.00000
754 0.0534 0.00000
755 0.0146 0.00000
756 0.0692 0.00000
757 -0.0541 0.00000
758 0.0399 0.00000
759 0.0308 0.00000
760 0.0132 0.00000
761 -0.0106 0.00000
762 -0.0254 0.00000
763 -0.0095 0.00000
764 -0.0055 0.00000
765 0.0510 0.00000
766 -0.0157 0.00000
767 0.0459 0.00000
768 0.0383 0.00000
769 0.0212 0.00000
770 0.0119 0.00000
771 -0.0403 0.00000
772 -0.0379 0.00000
773 -0.0492 0.00000
774 -0.0133 0.00000
775 -0.0496 0.00000
776 0.0121 0.00000
777 0.0471 0.00000
778 0.0307 0.00000
779 0.0171 0.00000
780 -0.0384 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0114 0.00000
5 0.0208 0.00000
6 0.0654 0.00000
7 0.0146 0.00000
8 0.0399 0.00000
9 0.0205 0.00000
10 -0.0262 0.00000
11 0.0245 0.00000
12 -0.1094 0.00000
13 -0.0692 0.00000
14 -0.0093 0.00000
15 -0.0529 0.00000
16 -0.2586 0.00000
17 -0.0762 0.00000
18 0.0150 0.00000
19 -0.1169 0.00000
20 0.0251 0.00000
21 0.0086 0.00000
22 0.1695 0.00000
23 0.0529 0.00000
24 -0.0184 0.00000
25 0.0917 0.00000
26 0.0893 0.00000
27 0.0809 0.00000
28 0.0345 0.00000
29 0.0567 0.00000
30 -0.0169 0.00000
31 -0.0662 0.00000
32 -0.0292 0.00000
33 0.0487 0.00000
34 0.0528 0.00000
35 0.0382 0.00000
36 -0.1536 0.00000
37 -0.1001 0.00000
38 0.0086 0.00000
39 0.0639 0.00000
40 -0.1320 0.00000
41 -0.0163 0.00000
42 0.0950 0.00000
43 0.0556 0.00000
44 -0.0010 0.00000
45 -0.0418 0.00000
46 0.3278 0.00000
47 -0.0575 0.00000
48 -0.0741 0.00000
49 0.0050 0.00000
50 0.0636 0.00000
51 0.0064 0.00000
52 0.0680 0.00000
53 0.0719 0.00000
54 -0.0122 0.00000
55 0.0013 0.00000
56 -0.0513 0.00000
57 0.0715 0.00000
58 -0.0142 0.00000
59 -0.0321 0.00000
60 0.0524 0.00000
61 -0.0235 0.00000
62 0.0352 0.00000
63 -0.0595 0.00000
64 -0.0368 0.00000
65 -0.0219 0.00000
66 -0.0825 0.00000
67 -0.0317 0.00000
68 0.4842 0.00000
69 -0.0046 0.00000
70 -0.0210 0.00000
71 0.0450 0.00000
72 0.0259 0.00000
73 0.0040 0.00000
74 -0.0025 0.00000
75 -0.0550 0.00000
76 -0.0544 0.00000
77 -0.0868 0.00000
78 -0.0190 0.00000
79 0.0501 0.00000
80 0.0285 0.00000
81 0.0221 0.00000
82 -0.1354 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1736 0.00000
90 0.0091 0.00000
91 -0.0212 0.00000
92 -0.0574 0.00000
93 0.1464 0.00000
94 -0.0590 0.00000
95 0.3729 0.00000
96 0.3377 0.00000
97 0.0255 0.00000
98 0.0018 0.00000
99 -0.0191 0.00000
100 -0.1300 0.00000
101 -0.0305 0.00000
102 0.0194 0.00000
103 -0.0290 0.00000
104 -0.0665 0.00000
105 0.0157 0.00000
106 0.0967 0.00000
107 0.0685 0.00000
108 0.0707 0.00000
109 0.0573 0.00000
110 -0.0172 0.00000
111 0.0760 0.00000
112 0.0191 0.00000
113 -0.0372 0.00000
114 -0.0473 0.00000
115 -0.0240 0.00000
116 -0.0734 0.00000
117 -0.0432 0.00000
118 -0.0208 0.00000
119 0.0045 0.00000
120 0.0006 0.00000
121 -0.0784 0.00000
122 -0.0622 0.00000
123 0.0967 0.00000
124 -1.2487 0.00000
125 -0.1149 0.00000
126 -0.0582 0.00000
127 -0.0741 0.00000
128 -0.0406 0.00000
129 0.9875 0.00000
130 0.0659 0.00000
131 0.0483 0.00000
132 0.0524 0.00000
133 0.0034 0.00000
134 -0.0059 0.00000
135 0.0495 0.00000
136 -0.0621 0.00000
137 -0.1755 0.00000
138 -0.0603 0.00000
139 0.0699 0.00000
140 0.0757 0.00000
141 -0.0760 0.00000
142 -0.0552 0.00000
143 0.1682 0.00000
144 0.1434 0.00000
145 0.0748 0.00000
146 -0.0338 0.00000
147 -0.0326 0.00000
148 0.0815 0.00000
149 0.0019 0.00000
150 0.0572 0.00000
151 -0.0463 0.00000
152 -0.0032 0.00000
153 -0.0684 0.00000
154 0.0136 0.00000
155 -0.0271 0.00000
156 0.0435 0.00000
157 0.0811 0.00000
158 -0.0851 0.00000
159 0.0087 0.00000
160 0.0888 0.00000
161 -0.0510 0.00000
162 0.0070 0.00000
163 -0.0631 0.00000
164 -0.0666 0.00000
165 -0.0127 0.00000
166 0.0369 0.00000
167 -0.0613 0.00000
168 -0.0209 0.00000
169 0.0600 0.00000
170 0.1718 0.00000
171 0.0122 0.00000
172 -0.0073 0.00000
173 0.0211 0.00000
174 0.0254 0.00000
175 0.0909 0.00000
176 0.0304 0.00000
177 -0.0218 0.00000
178 0.0018 0.00000
179 -0.0454 0.00000
180 -0.0245 0.00000
181 -0.0096 0.00000
182 0.0296 0.00000
183 0.0314 0.00000
184 0.0897 0.00000
185 -0.0325 0.00000
186 -0.0257 0.00000
187 -0.0488 0.00000
188 0.0271 0.00000
189 0.0416 0.00000
190 0.0469 0.00000
191 0.0361 0.00000
192 0.0316 0.00000
193 -0.0401 0.00000
194 0.0760 0.00000
195 0.1079 0.00000
196 0.0251 0.00000
197 0.0535 0.00000
198 0.0236 0.00000
199 0.0008 0.00000
200 -0.0191 0.00000
201 0.0467 0.00000
202 0.0275 0.00000
203 -0.0112 0.00000
204 0.0406 0.00000
205 -0.0407 0.00000
206 -0.0342 0.00000
207 -0.0315 0.00000
208 0.0033 0.00000
209 -0.0169 0.00000
210 0.0189 0.00000
211 0.0442 0.00000
212 0.0245 0.00000
213 0.0057 0.00000
214 -0.0235 0.00000
215 -0.0178 0.00000
216 0.0312 0.00000
217 -0.0385 0.00000
218 -0.0681 0.00000
219 0.0306 0.00000
220 0.0000 0.00000
221 0.0382 0.00000
222 -0.0632 0.00000
223 -0.0419 0.00000
224 -0.0585 0.00000
225 0.0521 0.00000
226 0.0221 0.00000
227 -0.0538 0.00000
228 0.0351 0.00000
229 0.0315 0.00000
230 -0.0980 0.00000
231 -0.0260 0.00000
232 -0.0836 0.00000
233 -0.0526 0.00000
234 0.0731 0.00000
235 -0.1653 0.00000
236 -0.0134 0.00000
237 -0.1094 0.00000
238 0.0159 0.00000
239 -0.0031 0.00000
240 -0.0432 0.00000
241 -0.0027 0.00000
242 -0.0058 0.00000
243 0.0376 0.00000
244 -0.0151 0.00000
245 -0.0379 0.00000
246 0.0344 0.00000
247 0.0302 0.00000
248 0.0332 0.00000
249 -0.0144 0.00000
250 0.0871 0.00000
251 -0.0001 0.00000
252 -0.2632 0.00000
253 0.1209 0.00000
254 0.0115 0.00000
255 -0.0285 0.00000
256 0.0351 0.00000
257 0.0381 0.00000
258 0.0679 0.00000
259 0.0959 0.00000
260 -0.0034 0.00000
261 0.0878 0.00000
262 -0.0341 0.00000
263 0.0746 0.00000
264 -0.0091 0.00000
265 0.0226 0.00000
266 -0.0176 0.00000
267 0.0472 0.00000
268 0.0332 0.00000
269 0.0802 0.00000
270 0.0016 0.00000
271 0.0188 0.00000
272 0.0030 0.00000
273 0.1387 0.00000
274 0.0280 0.00000
275 0.0664 0.00000
276 0.1628 0.00000
277 -0.0488 0.00000
278 -0.0265 0.00000
279 0.0021 0.00000
280 -0.0277 0.00000
281 0.0324 0.00000
282 0.0435 0.00000
283 -0.0216 0.00000
284 0.0418 0.00000
285 -0.0091 0.00000
286 0.0389 0.00000
287 -0.0771 0.00000
288 0.0385 0.00000
289 0.1108 0.00000
290 -0.0314 0.00000
291 0.0269 0.00000
292 -0.0228 0.00000
293 0.1630 0.00000
294 0.1762 0.00000
295 0.1635 0.00000
296 -0.0446 0.00000
297 -0.1937 0.00000
298 0.1145 0.00000
299 0.0107 0.00000
300 0.0229 0.00000
301 -0.1799 0.00000
302 0.1231 0.00000
303 0.0901 0.00000
304 0.0123 0.00000
305 0.0091 0.00000
306 -0.0710 0.00000
307 -0.0436 0.00000
308 -0.0402 0.00000
309 -0.0098 0.00000
310 -0.0908 0.00000
311 -0.0391 0.00000
312 -0.0708 0.00000
313 0.0482 0.00000
314 0.0173 0.00000
315 0.0273 0.00000
316 0.0224 0.00000
317 -0.0274 0.00000
318 0.0955 0.00000
319 0.0723 0.00000
320 -0.0443 0.00000
321 0.1002 0.00000
322 0.0049 0.00000
323 -0.0195 0.00000
324 -0.0262 0.00000
325 -0.0492 0.00000
326 -0.0056 0.00000
327 -0.0986 0.00000
328 -0.0094 0.00000
329 -0.0042 0.00000
330 0.0190 0.00000
331 0.0340 0.00000
332 0.0321 0.00000
333 -0.1168 0.00000
334 -0.0405 0.00000
335 -0.0536 0.00000
336 0.0624 0.00000
337 -0.0277 0.00000
338 -0.0377 0.00000
339 0.0076 0.00000
340 -0.0264 0.00000
341 0.0390 0.00000
342 0.0026 0.00000
343 -0.0131 0.00000
344 0.0472 0.00000
345 -0.0612 0.00000
346 0.0404 0.00000
347 0.0228 0.00000
348 -0.0100 0.00000
349 -0.1020 0.00000
350 -0.0056 0.00000
351 0.0125 0.00000
352 -0.0317 0.00000
353 0.0148 0.00000
354 -0.0846 0.00000
355 0.0492 0.00000
356 0.0630 0.00000
357 0.0357 0.00000
358 0.0054 0.00000
359 -0.0186 0.00000
360 0.0284 0.00000
361 0.0341 0.00000
362 0.0058 0.00000
363 0.0215 0.00000
364 -0.0150 0.00000
365 -0.0141 0.00000
366 -0.0327 0.00000
367 0.0522 0.00000
368 -0.0241 0.00000
369 0.0262 0.00000
370 0.0111 0.00000
371 -0.0238 0.00000
372 0.0153 0.00000
373 -0.0081 0.00000
374 0.0443 0.00000
375 -0.0154 0.00000
376 0.0267 0.00000
377 0.0214 0.00000
378 -0.0274 0.00000
379 0.0186 0.00000
380 -0.0052 0.00000
381 0.0128 0.00000
382 -0.0207 0.00000
383 -0.0137 0.00000
384 0.0242 0.00000
385 -0.0748 0.00000
386 -0.0321 0.00000
387 0.0420 0.00000
388 -0.0185 0.00000
389 0.0220 0.00000
390 0.0202 0.00000
391 -0.0453 0.00000
392 0.0098 0.00000
393 0.0357 0.00000
394 0.0468 0.00000
395 -0.0192 0.00000
396 -0.0299 0.00000
397 0.0095 0.00000
398 0.0009 0.00000
399 0.0001 0.00000
400 -0.0049 0.00000
401 0.0465 0.00000
402 0.0419 0.00000
403 0.0414 0.00000
404 0.0249 0.00000
405 0.0006 0.00000
406 0.0308 0.00000
407 -0.0287 0.00000
408 0.0357 0.00000
409 -0.0041 0.00000
410 -0.0232 0.00000
411 0.0480 0.00000
412 -0.0107 0.00000
413 0.0290 0.00000
414 0.0276 0.00000
415 0.0174 0.00000
416 0.0183 0.00000
417 0.0345 0.00000
418 -0.0109 0.00000
419 0.0067 0.00000
420 -0.0268 0.00000
421 -0.0141 0.00000
422 -0.0097 0.00000
423 0.0234 0.00000
424 -0.0015 0.00000
425 -0.0416 0.00000
426 -0.0396 0.00000
427 -0.0157 0.00000
428 0.0406 0.00000
429 -0.0128 0.00000
430 0.0170 0.00000
431 0.0146 0.00000
432 0.0137 0.00000
433 -0.0042 0.00000
434 -0.0351 0.00000
435 -0.0072 0.00000
436 -0.0045 0.00000
437 0.1621 0.00000
438 0.0331 0.00000
439 0.0093 0.00000
440 -0.0196 0.00000
441 0.0004 0.00000
442 0.0091 0.00000
443 0.0019 0.00000
444 0.0838 0.00000
445 0.0047 0.00000
446 -0.0059 0.00000
447 -0.0151 0.00000
448 0.0080 0.00000
449 -0.0661 0.00000
450 0.1185 0.00000
451 0.0397 0.00000
452 0.0026 0.00000
453 -0.0132 0.00000
454 -0.0375 0.00000
455 0.0238 0.00000
456 -0.0234 0.00000
457 0.0026 0.00000
458 0.0111 0.00000
459 0.0880 0.00000
460 -0.0184 0.00000
461 0.0367 0.00000
462 -0.0245 0.00000
463 -0.0069 0.00000
464 -0.0365 0.00000
465 0.0075 0.00000
466 0.0018 0.00000
467 -0.0125 0.00000
468 0.0046 0.00000
469 0.0278 0.00000
470 0.0612 0.00000
471 0.0574 0.00000
472 0.0123 0.00000
473 -0.0081 0.00000
474 0.0272 0.00000
475 -0.0111 0.00000
476 0.0894 0.00000
477 0.0095 0.00000
478 -0.1154 0.00000
479 0.0125 0.00000
480 -0.0367 0.00000
481 0.0517 0.00000
482 0.0104 0.00000
483 -0.0081 0.00000
484 0.0389 0.00000
485 -0.0127 0.00000
486 0.0456 0.00000
487 0.0419 0.00000
488 0.0059 0.00000
489 0.0862 0.00000
490 0.0400 0.00000
491 -0.0621 0.00000
492 -0.0284 0.00000
493 0.0773 0.00000
494 0.0433 0.00000
495 -0.0122 0.00000
496 0.0732 0.00000
497 -0.0225 0.00000
498 0.0685 0.00000
499 0.0139 0.00000
500 -0.0260 0.00000
501 0.0148 0.00000
502 0.0020 0.00000
503 0.0033 0.00000
504 0.0789 0.00000
505 0.0611 0.00000
506 0.0192 0.00000
507 -0.0608 0.00000
508 -0.0315 0.00000
509 0.0049 0.00000
510 0.0827 0.00000
511 0.0135 0.00000
512 0.0541 0.00000
513 -0.0578 0.00000
514 0.0147 0.00000
515 0.0214 0.00000
516 0.0113 0.00000
517 0.0286 0.00000
518 -0.0654 0.00000
519 0.0417 0.00000
520 0.0190 0.00000
521 0.0217 0.00000
522 -0.0323 0.00000
523 0.0080 0.00000
524 0.0125 0.00000
525 -0.0285 0.00000
526 -0.0105 0.00000
527 0.0049 0.00000
528 0.0312 0.00000
529 -0.1653 0.00000
530 -0.0199 0.00000
531 -0.0245 0.00000
532 -0.0118 0.00000
533 -0.1063 0.00000
534 -0.0027 0.00000
535 0.0165 0.00000
536 0.0098 0.00000
537 -0.0320 0.00000
538 0.0674 0.00000
539 -0.0531 0.00000
540 -0.0878 0.00000
541 0.0024 0.00000
542 -0.0507 0.00000
543 -0.0298 0.00000
544 -0.0422 0.00000
545 0.2460 0.00000
546 0.0093 0.00000
547 0.0453 0.00000
548 0.0028 0.00000
549 -0.1185 0.00000
550 -0.0878 0.00000
551 0.0432 0.00000
552 -0.0189 0.00000
553 0.0172 0.00000
554 -0.0054 0.00000
555 -0.0738 0.00000
556 -0.1559 0.00000
557 -0.1069 0.00000
558 -0.0300 0.00000
559 -0.1090 0.00000
560 0.1888 0.00000
561 0.0214 0.00000
562 0.0174 0.00000
563 -0.0482 0.00000
564 0.0138 0.00000
565 -0.0833 0.00000
566 0.0579 0.00000
567 -0.0189 0.00000
568 0.0319 0.00000
569 0.0440 0.00000
570 0.0040 0.00000
571 -0.0083 0.00000
572 -0.1175 0.00000
573 0.2643 0.00000
574 -0.0098 0.00000
575 -0.0350 0.00000
576 -0.0987 0.00000
577 0.2278 0.00000
578 -0.0550 0.00000
579 0.0421 0.00000
580 0.2244 0.00000
581 -0.0834 0.00000
582 0.0544 0.00000
583 0.0501 0.00000
584 0.0449 0.00000
585 -0.0265 0.00000
586 0.0287 0.00000
587 0.0318 0.00000
588 0.0435 0.00000
589 0.0162 0.00000
590 -0.0024 0.00000
591 0.0086 0.00000
592 -0.0137 0.00000
593 -0.0187 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0291 0.00000
598 -0.0244 0.00000
599 -0.0624 0.00000
600 -0.0098 0.00000
601 -0.0221 0.00000
602 -0.0331 0.00000
603 0.0547 0.00000
604 0.0432 0.00000
605 0.0261 0.00000
606 0.0087 0.00000
607 -0.0343 0.00000
608 0.0239 0.00000
609 0.0402 0.00000
610 0.0216 0.00000
611 -0.0084 0.00000
612 0.0291 0.00000
613 0.0199 0.00000
614 0.0850 0.00000
615 0.0514 0.00000
616 0.0014 0.00000
617 0.0336 0.00000
618 0.0378 0.00000
619 -0.0858 0.00000
620 0.0801 0.00000
621 0.0391 0.00000
622 0.0330 0.00000
623 -0.0555 0.00000
624 -0.0694 0.00000
625 0.0182 0.00000
626 -0.0153 0.00000
627 0.0446 0.00000
628 0.0940 0.00000
629 -0.0202 0.00000
630 -0.0241 0.00000
631 0.0424 0.00000
632 -0.0644 0.00000
633 0.0456 0.00000
634 -0.0594 0.00000
635 0.0257 0.00000
636 0.0159 0.00000
637 -0.0361 0.00000
638 -0.0130 0.00000
639 -0.0231 0.00000
640 0.0261 0.00000
641 -0.0717 0.00000
642 -0.0208 0.00000
643 -0.0615 0.00000
644 0.0169 0.00000
645 0.0184 0.00000
646 -0.0303 0.00000
647 0.0234 0.00000
648 -0.0573 0.00000
649 0.0263 0.00000
650 0.0021 0.00000
651 0.0558 0.00000
652 0.0192 0.00000
653 -0.0343 0.00000
654 0.0143 0.00000
655 -0.0013 0.00000
656 0.0029 0.00000
657 0.0270 0.00000
658 -0.0432 0.00000
659 -0.0208 0.00000
660 -0.0570 0.00000
661 -0.0116 0.00000
662 0.0212 0.00000
663 -0.0566 0.00000
664 0.0276 0.00000
665 -0.0274 0.00000
666 0.0892 0.00000
667 -0.0022 0.00000
668 -0.0312 0.00000
669 0.0427 0.00000
670 0.0422 0.00000
671 -0.0069 0.00000
672 0.0123 0.00000
673 0.0495 0.00000
674 -0.0021 0.00000
675 -0.0730 0.00000
676 0.0073 0.00000
677 -0.0329 0.00000
678 0.0259 0.00000
679 0.1718 0.00000
680 -0.0652 0.00000
681 0.0629 0.00000
682 -0.0094 0.00000
683 0.1323 0.00000
684 0.1482 0.00000
685 0.0646 0.00000
686 -0.0137 0.00000
687 -0.0268 0.00000
688 0.0888 0.00000
689 -0.0624 0.00000
690 0.1164 0.00000
691 0.0117 0.00000
692 0.0836 0.00000
693 0.0042 0.00000
694 0.0550 0.00000
695 -0.0954 0.00000
696 0.0562 0.00000
697 0.0143 0.00000
698 -0.0251 0.00000
699 0.0164 0.00000
700 0.0310 0.00000
701 -0.0752 0.00000
702 -0.0379 0.00000
703 -0.0154 0.00000
704 0.0418 0.00000
705 -0.0429 0.00000
706 0.0136 0.00000
707 -0.0047 0.00000
708 0.0607 0.00000
709 -0.0436 0.00000
710 -0.0987 0.00000
711 0.0099 0.00000
712 -0.0188 0.00000
713 -0.0191 0.00000
714 -0.0174 0.00000
715 0.0365 0.00000
716 -0.0311 0.00000
717 0.0576 0.00000
718 0.0051 0.00000
719 -0.0416 0.00000
720 0.1163 0.00000
721 0.0352 0.00000
722 0.0134 0.00000
723 -0.0156 0.00000
724 -0.0016 0.00000
725 -0.0001 0.00000
726 -0.0438 0.00000
727 0.0195 0.00000
728 -0.0069 0.00000
729 0.0205 0.00000
730 -0.0294 0.00000
731 -0.0047 0.00000
732 -0.0460 0.00000
733 0.0043 0.00000
734 0.0529 0.00000
735 0.0201 0.00000
736 0.1225 0.00000
737 0.0298 0.00000
738 -0.0169 0.00000
739 0.0429 0.00000
740 -0.0214 0.00000
741 0.0204 0.00000
742 0.0816 0.00000
743 -0.0023 0.00000
744 0.0346 0.00000
745 -0.0859 0.00000
746 -0.0183 0.00000
747 0.0268 0.00000
748 0.0462 0.00000
749 -0.0130 0.00000
750 0.0056 0.00000
751 0.0140 0.00000
752 -0.0508 0.00000
753 -0.0306 0.00000
754 -0.0167 0.00000
755 0.0146 0.00000
756 0.0464 0.00000
757 -0.0143 0.00000
758 -0.0167 0.00000
759 -0.0394 0.00000
760 0.0604 0.00000
761 0.0609 0.00000
762 0.0411 0.00000
763 -0.0061 0.00000
764 0.0373 0.00000
765 0.0058 0.00000
766 -0.0252 0.00000
767 -0.0088 0.00000
768 0.0090 0.00000
769 0.0484 0.00000
770 0.0127 0.00000
771 -0.0078 0.00000
772 0.1086 0.00000
773 -0.0165 0.00000
774 -0.0301 0.00000
775 0.0151 0.00000
776 -0.0096 0.00000
777 0.0258 0.00000
778 -0.0264 0.00000
779 -0.0038 0.00000
780 -0.0267 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0111 0.00000
5 0.0210 0.00000
6 0.0653 0.00000
7 0.0147 0.00000
8 0.0400 0.00000
9 0.0205 0.00000
10 -0.0246 0.00000
11 0.0245 0.00000
12 -0.1109 0.00000
13 -0.0688 0.00000
14 -0.0097 0.00000
15 -0.0529 0.00000
16 -0.2482 0.00000
17 -0.0962 0.00000
18 0.0072 0.00000
19 -0.0449 0.00000
20 -0.0273 0.00000
21 0.0086 0.00000
22 0.1666 0.00000
23 0.0498 0.00000
24 -0.0269 0.00000
25 0.1034 0.00000
26 0.0845 0.00000
27 0.0864 0.00000
28 -0.0033 0.00000
29 0.1015 0.00000
30 -0.0097 0.00000
31 -0.0908 0.00000
32 -0.0252 0.00000
33 0.0459 0.00000
34 0.0600 0.00000
35 0.0389 0.00000
36 -0.1657 0.00000
37 -0.0674 0.00000
38 -0.0090 0.00000
39 -0.1374 0.00000
40 0.0759 0.00000
41 -0.0161 0.00000
42 0.1380 0.00000
43 0.0564 0.00000
44 -0.0375 0.00000
45 -0.0429 0.00000
46 -0.0428 0.00000
47 0.2834 0.00000
48 -0.0418 0.00000
49 0.0475 0.00000
50 0.0495 0.00000
51 -0.0123 0.00000
52 0.0406 0.00000
53 0.0679 0.00000
54 -0.0183 0.00000
55 0.0021 0.00000
56 -0.0398 0.00000
57 0.0695 0.00000
58 -0.0136 0.00000
59 0.0438 0.00000
60 -0.0391 0.00000
61 -0.0268 0.00000
62 0.0854 0.00000
63 -0.0929 0.00000
64 -0.0575 0.00000
65 -0.0046 0.00000
66 -0.0768 0.00000
67 0.4698 0.00000
68 -0.0160 0.00000
69 -0.0059 0.00000
70 -0.0203 0.00000
71 0.0458 0.00000
72 0.0260 0.00000
73 0.0045 0.00000
74 -0.0021 0.00000
75 -0.0658 0.00000
76 -0.0499 0.00000
77 -0.0798 0.00000
78 -0.0442 0.00000
79 0.0721 0.00000
80 0.0284 0.00000
81 0.0219 0.00000
82 -0.1355 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1747 0.00000
90 0.0120 0.00000
91 -0.0519 0.00000
92 -0.0375 0.00000
93 0.1524 0.00000
94 -0.0528 0.00000
95 0.3274 0.00000
96 0.3590 0.00000
97 0.0153 0.00000
98 0.0197 0.00000
99 -0.0216 0.00000
100 -0.0766 0.00000
101 -0.0724 0.00000
102 0.0370 0.00000
103 -0.0637 0.00000
104 -0.0247 0.00000
105 0.0221 0.00000
106 0.0545 0.00000
107 0.0162 0.00000
108 -0.0267 0.00000
109 0.2086 0.00000
110 -0.0041 0.00000
111 0.0488 0.00000
112 0.0325 0.00000
113 0.0215 0.00000
114 -0.0484 0.00000
115 -0.0267 0.00000
116 -0.1025 0.00000
117 -0.0519 0.00000
118 -0.0246 0.00000
119 -0.0287 0.00000
120 -0.0200 0.00000
121 0.0053 0.00000
122 -0.0574 0.00000
123 -0.4427 0.00000
124 -0.7033 0.00000
125 -0.1480 0.00000
126 -0.0597 0.00000
127 -0.0737 0.00000
128 -0.0329 0.00000
129 1.1162 0.00000
130 0.0104 0.00000
131 -0.0083 0.00000
132 0.0093 0.00000
133 0.0210 0.00000
134 -0.0171 0.00000
135 0.0495 0.00000
136 -0.0569 0.00000
137 -0.2006 0.00000
138 -0.0414 0.00000
139 0.0660 0.00000
140 0.0838 0.00000
141 -0.0746 0.00000
142 -0.0540 0.00000
143 0.1641 0.00000
144 0.1506 0.00000
145 0.0718 0.00000
146 -0.0343 0.00000
147 -0.0326 0.00000
148 0.0757 0.00000
149 0.0056 0.00000
150 0.0748 0.00000
151 -0.0079 0.00000
152 -0.1030 0.00000
153 -0.0104 0.00000
154 0.0330 0.00000
155 -0.0445 0.00000
156 0.0757 0.00000
157 0.0273 0.00000
158 -0.0816 0.00000
159 -0.0354 0.00000
160 -0.0799 0.00000
161 0.1219 0.00000
162 0.0005 0.00000
163 -0.0850 0.00000
164 0.0315 0.00000
165 0.0332 0.00000
166 -0.0133 0.00000
167 0.0230 0.00000
168 -0.0080 0.00000
169 -0.0486 0.00000
170 0.0494 0.00000
171 0.0931 0.00000
172 0.1169 0.00000
173 -0.0329 0.00000
174 -0.0254 0.00000
175 -0.0553 0.00000
176 0.0287 0.00000
177 0.0649 0.00000
178 -0.0200 0.00000
179 0.0594 0.00000
180 -0.0059 0.00000
181 0.0753 0.00000
182 0.0086 0.00000
183 0.0381 0.00000
184 -0.0549 0.00000
185 -0.0110 0.00000
186 0.0429 0.00000
187 -0.0120 0.00000
188 -0.0010 0.00000
189 0.0332 0.00000
190 -0.0536 0.00000
191 0.0658 0.00000
192 -0.0153 0.00000
193 0.0246 0.00000
194 0.1485 0.00000
195 0.0023 0.00000
196 0.0356 0.00000
197 0.1002 0.00000
198 0.0159 0.00000
199 -0.0033 0.00000
200 0.0305 0.00000
201 0.0110 0.00000
202 -0.0572 0.00000
203 -0.0076 0.00000
204 0.0057 0.00000
205 0.0374 0.00000
206 -0.0134 0.00000
207 -0.0060 0.00000
208 0.0197 0.00000
209 -0.0397 0.00000
210 0.0122 0.00000
211 -0.0123 0.00000
212 0.0394 0.00000
213 -0.0458 0.00000
214 0.1565 0.00000
215 -0.1180 0.00000
216 0.0530 0.00000
217 0.0016 0.00000
218 -0.0502 0.00000
219 -0.0409 0.00000
220 0.0065 0.00000
221 -0.0322 0.00000
222 -0.0323 0.00000
223 -0.0211 0.00000
224 -0.0924 0.00000
225 0.0872 0.00000
226 0.0242 0.00000
227 -0.0532 0.00000
228 0.0363 0.00000
229 0.0329 0.00000
230 -0.0990 0.00000
231 -0.0261 0.00000
232 -0.0825 0.00000
233 -0.0534 0.00000
234 0.0734 0.00000
235 -0.1926 0.00000
236 0.0170 0.00000
237 0.0164 0.00000
238 -0.1387 0.00000
239 -0.0088 0.00000
240 -0.0525 0.00000
241 0.0210 0.00000
242 0.0314 0.00000
243 -0.0010 0.00000
244 -0.0008 0.00000
245 -0.0241 0.00000
246 0.0384 0.00000
247 0.0390 0.00000
248 0.0138 0.00000
249 0.0052 0.00000
250 0.0301 0.00000
251 -0.0099 0.00000
252 0.0022 0.00000
253 -0.0143 0.00000
254 -0.0269 0.00000
255 -0.0444 0.00000
256 0.0141 0.00000
257 -0.0324 0.00000
258 0.0510 0.00000
259 0.0469 0.00000
260 0.2394 0.00000
261 -0.0485 0.00000
262 0.0880 0.00000
263 -0.0130 0.00000
264 -0.0196 0.00000
265 0.0195 0.00000
266 0.0081 0.00000
267 0.0978 0.00000
268 0.0128 0.00000
269 0.0127 0.00000
270 0.0268 0.00000
271 0.0558 0.00000
272 0.0768 0.00000
273 0.0685 0.00000
274 -0.0082 0.00000
275 0.0150 0.00000
276 0.0447 0.00000
277 0.0410 0.00000
278 -0.0616 0.00000
279 -0.0194 0.00000
280 0.0264 0.00000
281 -0.0290 0.00000
282 -0.0032 0.00000
283 -0.0009 0.00000
284 0.0119 0.00000
285 0.0416 0.00000
286 -0.0227 0.00000
287 0.1911 0.00000
288 0.0007 0.00000
289 -0.0306 0.00000
290 0.1580 0.00000
291 0.0793 0.00000
292 0.0157 0.00000
293 -0.0091 0.00000
294 0.0994 0.00000
295 0.2208 0.00000
296 -0.0372 0.00000
297 -0.3338 0.00000
298 -0.0271 0.00000
299 0.3271 0.00000
300 -0.0750 0.00000
301 0.0180 0.00000
302 -0.0934 0.00000
303 0.0147 0.00000
304 0.0163 0.00000
305 0.1015 0.00000
306 -0.0121 0.00000
307 0.1059 0.00000
308 -0.0697 0.00000
309 0.0500 0.00000
310 -0.0616 0.00000
311 -0.0387 0.00000
312 -0.0305 0.00000
313 0.1298 0.00000
314 -0.0160 0.00000
315 -0.0803 0.00000
316 -0.0876 0.00000
317 0.0309 0.00000
318 -0.0070 0.00000
319 -0.0573 0.00000
320 0.0174 0.00000
321 0.0420 0.00000
322 -0.0444 0.00000
323 0.0037 0.00000
324 -0.0750 0.00000
325 -0.0130 0.00000
326 -0.0190 0.00000
327 -0.0136 0.00000
328 -0.0045 0.00000
329 0.1085 0.00000
330 -0.1154 0.00000
331 0.0045 0.00000
332 0.0479 0.00000
333 -0.0083 0.00000
334 -0.0150 0.00000
335 -0.0513 0.00000
336 0.0068 0.00000
337 0.0106 0.00000
338 -0.0232 0.00000
339 -0.0403 0.00000
340 0.0232 0.00000
341 0.0068 0.00000
342 0.0234 0.00000
343 0.0431 0.00000
344 -0.0260 0.00000
345 -0.0243 0.00000
346 0.0483 0.00000
347 -0.0102 0.00000
348 -0.0032 0.00000
349 -0.1183 0.00000
350 0.0312 0.00000
351 0.0185 0.00000
352 0.0205 0.00000
353 -0.0025 0.00000
354 0.0047 0.00000
355 -0.0127 0.00000
356 0.0026 0.00000
357 -0.0331 0.00000
358 -0.0666 0.00000
359 -0.0215 0.00000
360 0.0087 0.00000
361 0.0477 0.00000
362 0.0102 0.00000
363 0.0184 0.00000
364 0.0136 0.00000
365 -0.0309 0.00000
366 0.0429 0.00000
367 0.0070 0.00000
368 0.0232 0.00000
369 0.0151 0.00000
370 -0.0091 0.00000
371 0.0106 0.00000
372 0.0211 0.00000
373 0.0204 0.00000
374 0.0314 0.00000
375 -0.0697 0.00000
376 0.0270 0.00000
377 -0.0057 0.00000
378 0.0134 0.00000
379 -0.0296 0.00000
380 0.0153 0.00000
381 -0.0154 0.00000
382 -0.0135 0.00000
383 -0.0454 0.00000
384 -0.0195 0.00000
385 0.0149 0.00000
386 -0.0479 0.00000
387 0.0104 0.00000
388 -0.0286 0.00000
389 0.0203 0.00000
390 0.0255 0.00000
391 -0.0075 0.00000
392 -0.0006 0.00000
393 0.0159 0.00000
394 0.0082 0.00000
395 0.0176 0.00000
396 0.0796 0.00000
397 0.0006 0.00000
398 0.0051 0.00000
399 0.0179 0.00000
400 0.0340 0.00000
401 0.0439 0.00000
402 0.0106 0.00000
403 0.0213 0.00000
404 0.0570 0.00000
405 0.0152 0.00000
406 -0.0326 0.00000
407 0.0300 0.00000
408 0.0092 0.00000
409 0.0520 0.00000
410 -0.0031 0.00000
411 -0.0015 0.00000
412 -0.0228 0.00000
413 0.0713 0.00000
414 0.0207 0.00000
415 -0.0648 0.00000
416 -0.0409 0.00000
417 0.0016 0.00000
418 -0.0193 0.00000
419 0.0825 0.00000
420 -0.0301 0.00000
421 0.0531 0.00000
422 -0.0171 0.00000
423 -0.0271 0.00000
424 -0.0415 0.00000
425 0.0071 0.00000
426 -0.0232 0.00000
427 0.0062 0.00000
428 -0.0094 0.00000
429 0.0066 0.00000
430 0.0234 0.00000
431 0.0234 0.00000
432 0.0590 0.00000
433 0.0209 0.00000
434 -0.0169 0.00000
435 -0.0073 0.00000
436 0.0014 0.00000
437 0.0283 0.00000
438 0.0783 0.00000
439 0.0292 0.00000
440 0.0162 0.00000
441 0.0359 0.00000
442 0.0135 0.00000
443 -0.0622 0.00000
444 0.0288 0.00000
445 0.0102 0.00000
446 0.0322 0.00000
447 -0.0479 0.00000
448 -0.0038 0.00000
449 0.0472 0.00000
450 -0.0196 0.00000
451 -0.0018 0.00000
452 0.0010 0.00000
453 -0.0308 0.00000
454 0.0828 0.00000
455 -0.0278 0.00000
456 0.0063 0.00000
457 0.0366 0.00000
458 0.0002 0.00000
459 0.0089 0.00000
460 -0.0241 0.00000
461 -0.0051 0.00000
462 0.0226 0.00000
463 0.0154 0.00000
464 -0.0239 0.00000
465 -0.0003 0.00000
466 0.0159 0.00000
467 0.0808 0.00000
468 0.0339 0.00000
469 0.0710 0.00000
470 0.0268 0.00000
471 0.0467 0.00000
472 -0.0286 0.00000
473 0.0442 0.00000
474 0.0028 0.00000
475 -0.0721 0.00000
476 0.0458 0.00000
477 -0.0654 0.00000
478 -0.0029 0.00000
479 -0.0190 0.00000
480 -0.0973 0.00000
481 0.0191 0.00000
482 -0.0493 0.00000
483 0.0730 0.00000
484 -0.0172 0.00000
485 0.1588 0.00000
486 0.0159 0.00000
487 0.0537 0.00000
488 0.0361 0.00000
489 -0.0280 0.00000
490 0.0700 0.00000
491 0.0182 0.00000
492 0.0065 0.00000
493 -0.0209 0.00000
494 0.0020 0.00000
495 0.0052 0.00000
496 -0.0103 0.00000
497 0.0090 0.00000
498 0.0388 0.00000
499 0.0864 0.00000
500 -0.0180 0.00000
501 -0.0054 0.00000
502 -0.0094 0.00000
503 0.0593 0.00000
504 0.1216 0.00000
505 0.0295 0.00000
506 -0.0127 0.00000
507 0.0341 0.00000
508 0.0472 0.00000
509 -0.0135 0.00000
510 -0.0220 0.00000
511 0.0354 0.00000
512 0.0084 0.00000
513 -0.0358 0.00000
514 0.0175 0.00000
515 0.0396 0.00000
516 -0.0466 0.00000
517 -0.0155 0.00000
518 0.0755 0.00000
519 0.0049 0.00000
520 0.0275 0.00000
521 0.0380 0.00000
522 -0.0403 0.00000
523 -0.0307 0.00000
524 -0.0342 0.00000
525 -0.0235 0.00000
526 0.0035 0.00000
527 -0.0771 0.00000
528 -0.0274 0.00000
529 0.0648 0.00000
530 -0.0230 0.00000
531 0.0110 0.00000
532 -0.0717 0.00000
533 0.0027 0.00000
534 -0.0070 0.00000
535 -0.0038 0.00000
536 -0.0366 0.00000
537 0.0390 0.00000
538 -0.3981 0.00000
539 0.0249 0.00000
540 -0.0693 0.00000
541 0.0238 0.00000
542 0.0835 0.00000
543 -0.0525 0.00000
544 0.1106 0.00000
545 0.0573 0.00000
546 0.0513 0.00000
547 -0.0716 0.00000
548 0.0123 0.00000
549 0.0484 0.00000
550 0.0992 0.00000
551 -0.0751 0.00000
552 -0.0531 0.00000
553 -0.0042 0.00000
554 -0.0551 0.00000
555 -0.0202 0.00000
556 -0.0376 0.00000
557 -0.1035 0.00000
558 -0.0569 0.00000
559 -0.0286 0.00000
560 0.0324 0.00000
561 -0.0533 0.00000
562 0.0578 0.00000
563 0.0324 0.00000
564 -0.0625 0.00000
565 0.0351 0.00000
566 -0.0649 0.00000
567 0.0390 0.00000
568 -0.0343 0.00000
569 0.0568 0.00000
570 -0.0122 0.00000
571 -0.0315 0.00000
572 -0.0049 0.00000
573 0.0626 0.00000
574 -0.0057 0.00000
575 -0.0193 0.00000
576 0.1392 0.00000
577 0.0761 0.00000
578 -0.0094 0.00000
579 0.0193 0.00000
580 0.2333 0.00000
581 -0.0626 0.00000
582 0.0312 0.00000
583 0.0689 0.00000
584 0.0385 0.00000
585 -0.0255 0.00000
586 0.0211 0.00000
587 0.0257 0.00000
588 0.0422 0.00000
589 0.0164 0.00000
590 -0.0047 0.00000
591 0.0118 0.00000
592 -0.0125 0.00000
593 -0.0186 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0290 0.00000
598 -0.0213 0.00000
599 -0.0934 0.00000
600 0.0041 0.00000
601 -0.0283 0.00000
602 0.0732 0.00000
603 0.0312 0.00000
604 0.0494 0.00000
605 -0.0099 0.00000
606 -0.0378 0.00000
607 0.0194 0.00000
608 -0.0066 0.00000
609 -0.0422 0.00000
610 0.0242 0.00000
611 0.0726 0.00000
612 0.0291 0.00000
613 0.0415 0.00000
614 0.0071 0.00000
615 0.0272 0.00000
616 0.0086 0.00000
617 0.0260 0.00000
618 0.0367 0.00000
619 -0.0083 0.00000
620 0.0306 0.00000
621 -0.0647 0.00000
622 -0.0005 0.00000
623 0.0278 0.00000
624 0.0363 0.00000
625 -0.0079 0.00000
626 -0.0030 0.00000
627 0.1074 0.00000
628 0.0014 0.00000
629 -0.0251 0.00000
630 0.0417 0.00000
631 0.0162 0.00000
632 -0.0091 0.00000
633 0.0459 0.00000
634 0.0648 0.00000
635 -0.0215 0.00000
636 -0.1932 0.00000
637 -0.1038 0.00000
638 -0.0134 0.00000
639 0.0176 0.00000
640 -0.0568 0.00000
641 0.0166 0.00000
642 -0.0190 0.00000
643 -0.0450 0.00000
644 0.0558 0.00000
645 0.0061 0.00000
646 -0.0011 0.00000
647 0.0060 0.00000
648 0.0330 0.00000
649 0.0206 0.00000
650 0.0105 0.00000
651 0.0055 0.00000
652 0.0349 0.00000
653 0.0157 0.00000
654 -0.0649 0.00000
655 -0.0197 0.00000
656 0.0343 0.00000
657 -0.0166 0.00000
658 -0.0792 0.00000
659 0.0567 0.00000
660 0.0321 0.00000
661 0.0115 0.00000
662 0.0430 0.00000
663 0.0198 0.00000
664 0.0159 0.00000
665 -0.0791 0.00000
666 0.0575 0.00000
667 0.0380 0.00000
668 -0.0240 0.00000
669 0.0049 0.00000
670 -0.1231 0.00000
671 -0.0033 0.00000
672 -0.0028 0.00000
673 0.0295 0.00000
674 0.0631 0.00000
675 0.0185 0.00000
676 0.0255 0.00000
677 0.0652 0.00000
678 -0.0116 0.00000
679 0.0335 0.00000
680 0.1396 0.00000
681 0.0148 0.00000
682 0.0656 0.00000
683 0.0698 0.00000
684 0.0006 0.00000
685 -0.0097 0.00000
686 0.0190 0.00000
687 -0.2081 0.00000
688 -0.0105 0.00000
689 -0.0462 0.00000
690 0.2384 0.00000
691 0.0164 0.00000
692 0.0624 0.00000
693 -0.0685 0.00000
694 0.1213 0.00000
695 0.0367 0.00000
696 0.0222 0.00000
697 -0.0196 0.00000
698 0.0018 0.00000
699 0.0394 0.00000
700 0.0220 0.00000
701 -0.0672 0.00000
702 -0.0187 0.00000
703 -0.0224 0.00000
704 0.0345 0.00000
705 0.0316 0.00000
706 -0.0124 0.00000
707 -0.0320 0.00000
708 -0.0011 0.00000
709 0.0810 0.00000
710 -0.0413 0.00000
711 -0.1380 0.00000
712 0.0521 0.00000
713 -0.0977 0.00000
714 0.0604 0.00000
715 0.1370 0.00000
716 -0.0268 0.00000
717 0.0519 0.00000
718 -0.0565 0.00000
719 0.1014 0.00000
720 -0.0190 0.00000
721 0.0112 0.00000
722 0.0333 0.00000
723 0.0077 0.00000
724 -0.0012 0.00000
725 -0.0323 0.00000
726 0.0026 0.00000
727 0.0513 0.00000
728 -0.1232 0.00000
729 0.0352 0.00000
730 0.0400 0.00000
731 0.0120 0.00000
732 -0.0467 0.00000
733 -0.0310 0.00000
734 -0.0028 0.00000
735 0.0459 0.00000
736 0.0635 0.00000
737 0.0148 0.00000
738 -0.0135 0.00000
739 -0.0191 0.00000
740 -0.0427 0.00000
741 0.0015 0.00000
742 0.0791 0.00000
743 -0.0177 0.00000
744 0.0248 0.00000
745 0.0046 0.00000
746 0.0733 0.00000
747 -0.0365 0.00000
748 0.0327 0.00000
749 -0.0148 0.00000
750 -0.0081 0.00000
751 0.0414 0.00000
752 -0.0217 0.00000
753 -0.0065 0.00000
754 0.0341 0.00000
755 0.0039 0.00000
756 -0.0051 0.00000
757 0.0194 0.00000
758 0.0302 0.00000
759 -0.0243 0.00000
760 0.0563 0.00000
761 0.0014 0.00000
762 -0.0132 0.00000
763 0.0607 0.00000
764 0.0005 0.00000
765 0.0573 0.00000
766 -0.0364 0.00000
767 -0.0553 0.00000
768 0.0124 0.00000
769 -0.0009 0.00000
770 0.0180 0.00000
771 -0.0320 0.00000
772 -0.0553 0.00000
773 -0.0363 0.00000
774 -0.0078 0.00000
775 0.0211 0.00000
776 -0.0190 0.00000
777 -0.0264 0.00000
778 -0.0162 0.00000
779 0.0180 0.00000
780 -0.0179 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0111 0.00000
5 0.0210 0.00000
6 0.0654 0.00000
7 0.0147 0.00000
8 0.0394 0.00000
9 0.0203 0.00000
10 -0.0252 0.00000
11 0.0247 0.00000
12 -0.1099 0.00000
13 -0.0693 0.00000
14 -0.0092 0.00000
15 -0.0535 0.00000
16 -0.2588 0.00000
17 -0.0751 0.00000
18 0.0105 0.00000
19 -0.0662 0.00000
20 -0.0256 0.00000
21 0.0088 0.00000
22 0.1810 0.00000
23 0.0650 0.00000
24 0.0203 0.00000
25 0.0304 0.00000
26 0.0904 0.00000
27 0.0832 0.00000
28 -0.0294 0.00000
29 0.1308 0.00000
30 -0.0002 0.00000
31 -0.0818 0.00000
32 -0.0393 0.00000
33 0.0508 0.00000
34 0.0538 0.00000
35 0.0383 0.00000
36 -0.1568 0.00000
37 -0.0992 0.00000
38 0.0092 0.00000
39 0.0759 0.00000
40 -0.1376 0.00000
41 -0.0181 0.00000
42 0.0669 0.00000
43 0.0554 0.00000
44 0.0244 0.00000
45 -0.0379 0.00000
46 0.3288 0.00000
47 -0.0640 0.00000
48 -0.0749 0.00000
49 0.0121 0.00000
50 0.0483 0.00000
51 0.0027 0.00000
52 0.0712 0.00000
53 0.0746 0.00000
54 0.0235 0.00000
55 -0.0304 0.00000
56 -0.0513 0.00000
57 0.0687 0.00000
58 -0.0145 0.00000
59 -0.0270 0.00000
60 0.0521 0.00000
61 0.0016 0.00000
62 -0.0404 0.00000
63 0.0274 0.00000
64 -0.0979 0.00000
65 -0.0117 0.00000
66 -0.0736 0.00000
67 0.0014 0.00000
68 0.4547 0.00000
69 -0.0102 0.00000
70 0.0457 0.00000
71 -0.0176 0.00000
72 0.0261 0.00000
73 0.0103 0.00000
74 -0.0067 0.00000
75 -0.0604 0.00000
76 -0.0487 0.00000
77 -0.0852 0.00000
78 -0.0316 0.00000
79 0.0603 0.00000
80 0.0277 0.00000
81 0.0222 0.00000
82 -0.1353 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1779 0.00000
90 0.0058 0.00000
91 -0.0208 0.00000
92 -0.0609 0.00000
93 0.1248 0.00000
94 -0.0332 0.00000
95 0.3669 0.00000
96 0.2961 0.00000
97 0.0589 0.00000
98 0.0307 0.00000
99 -0.0200 0.00000
100 -0.1370 0.00000
101 -0.0377 0.00000
102 0.0219 0.00000
103 -0.0322 0.00000
104 -0.0895 0.00000
105 0.0341 0.00000
106 0.1047 0.00000
107 0.0721 0.00000
108 0.0657 0.00000
109 0.0315 0.00000
110 0.0091 0.00000
111 0.0708 0.00000
112 0.0090 0.00000
113 -0.0161 0.00000
114 -0.0432 0.00000
115 -0.0469 0.00000
116 -0.0556 0.00000
117 -0.0523 0.00000
118 -0.0180 0.00000
119 0.0103 0.00000
120 -0.0068 0.00000
121 -0.0845 0.00000
122 -0.0595 0.00000
123 0.1102 0.00000
124 -1.1963 0.00000
125 -0.1820 0.00000
126 -0.0480 0.00000
127 -0.0847 0.00000
128 -0.0237 0.00000
129 0.9825 0.00000
130 0.1521 0.00000
131 0.0206 0.00000
132 -0.0718 0.00000
133 0.0774 0.00000
134 -0.0213 0.00000
135 0.0498 0.00000
136 -0.0739 0.00000
137 -0.1667 0.00000
138 -0.0543 0.00000
139 0.0672 0.00000
140 0.0745 0.00000
141 -0.0747 0.00000
142 -0.0610 0.00000
143 0.1720 0.00000
144 0.1440 0.00000
145 0.0687 0.00000
146 -0.0268 0.00000
147 -0.0333 0.00000
148 0.0895 0.00000
149 -0.0027 0.00000
150 0.0446 0.00000
151 -0.0353 0.00000
152 0.0060 0.00000
153 -0.0645 0.00000
154 -0.0006 0.00000
155 -0.0211 0.00000
156 0.0339 0.00000
157 0.0176 0.00000
158 0.0879 0.00000
159 -0.0767 0.00000
160 0.0418 0.00000
161 -0.0064 0.00000
162 -0.0153 0.00000
163 -0.0326 0.00000
164 -0.0775 0.00000
165 -0.0153 0.00000
166 0.0077 0.00000
167 -0.0594 0.00000
168 -0.0122 0.00000
169 -0.0396 0.00000
170 0.1541 0.00000
171 0.1037 0.00000
172 0.0249 0.00000
173 0.0692 0.00000
174 -0.0057 0.00000
175 0.0611 0.00000
176 0.0364 0.00000
177 -0.0383 0.00000
178 -0.0042 0.00000
179 0.0025 0.00000
180 0.0294 0.00000
181 -0.0730 0.00000
182 0.0335 0.00000
183 -0.0442 0.00000
184 0.1194 0.00000
185 -0.0031 0.00000
186 -0.0032 0.00000
187 -0.0529 0.00000
188 -0.0034 0.00000
189 0.0142 0.00000
190 0.0662 0.00000
191 0.0563 0.00000
192 0.0175 0.00000
193 -0.0132 0.00000
194 0.0635 0.00000
195 0.1206 0.00000
196 0.0350 0.00000
197 0.0562 0.00000
198 -0.0006 0.00000
199 -0.0044 0.00000
200 -0.0056 0.00000
201 0.0490 0.00000
202 0.0412 0.00000
203 -0.0007 0.00000
204 -0.0455 0.00000
205 -0.0129 0.00000
206 -0.0029 0.00000
207 -0.0377 0.00000
208 0.0328 0.00000
209 -0.0344 0.00000
210 -0.0606 0.00000
211 0.0956 0.00000
212 0.0068 0.00000
213 0.0083 0.00000
214 0.0654 0.00000
215 -0.0925 0.00000
216 -0.0009 0.00000
217 -0.0258 0.00000
218 -0.0099 0.00000
219 0.0691 0.00000
220 -0.0112 0.00000
221 -0.0150 0.00000
222 -0.0575 0.00000
223 -0.0492 0.00000
224 -0.0676 0.00000
225 0.1218 0.00000
226 -0.0383 0.00000
227 -0.0572 0.00000
228 0.0209 0.00000
229 0.0269 0.00000
230 -0.0741 0.00000
231 -0.0256 0.00000
232 -0.0823 0.00000
233 -0.0527 0.00000
234 0.0789 0.00000
235 -0.1438 0.00000
236 -0.0208 0.00000
237 -0.0255 0.00000
238 -0.0900 0.00000
239 0.0367 0.00000
240 -0.0323 0.00000
241 -0.0409 0.00000
242 0.0277 0.00000
243 -0.0192 0.00000
244 -0.0267 0.00000
245 -0.0337 0.00000
246 0.0219 0.00000
247 0.0277 0.00000
248 0.0129 0.00000
249 0.0039 0.00000
250 0.1064 0.00000
251 0.0051 0.00000
252 -0.2937 0.00000
253 0.0931 0.00000
254 0.0429 0.00000
255 0.0647 0.00000
256 0.0146 0.00000
257 0.0357 0.00000
258 0.0512 0.00000
259 0.0358 0.00000
260 0.0370 0.00000
261 0.1330 0.00000
262 -0.0147 0.00000
263 0.0307 0.00000
264 0.0127 0.00000
265 -0.0068 0.00000
266 0.0017 0.00000
267 0.0422 0.00000
268 0.0639 0.00000
269 -0.0297 0.00000
270 0.0319 0.00000
271 0.0466 0.00000
272 0.0037 0.00000
273 0.2982 0.00000
274 0.0131 0.00000
275 -0.0308 0.00000
276 0.0411 0.00000
277 0.0204 0.00000
278 -0.0620 0.00000
279 0.0491 0.00000
280 -0.0444 0.00000
281 0.0082 0.00000
282 0.0127 0.00000
283 -0.0063 0.00000
284 0.0616 0.00000
285 0.0223 0.00000
286 0.1584 0.00000
287 0.0411 0.00000
288 0.0269 0.00000
289 -0.1283 0.00000
290 -0.0831 0.00000
291 0.0082 0.00000
292 0.2100 0.00000
293 -0.0278 0.00000
294 0.3867 0.00000
295 -0.0549 0.00000
296 0.0232 0.00000
297 0.0249 0.00000
298 -0.0021 0.00000
299 -0.2611 0.00000
300 0.0143 0.00000
301 -0.0215 0.00000
302 0.0280 0.00000
303 0.0417 0.00000
304 0.0015 0.00000
305 -0.0197 0.00000
306 -0.0517 0.00000
307 -0.0033 0.00000
308 0.1255 0.00000
309 -0.0797 0.00000
310 -0.0133 0.00000
311 -0.1138 0.00000
312 -0.0489 0.00000
313 0.0306 0.00000
314 0.0548 0.00000
315 0.1202 0.00000
316 0.0263 0.00000
317 -0.0212 0.00000
318 -0.0042 0.00000
319 0.0394 0.00000
320 -0.0158 0.00000
321 -0.0634 0.00000
322 -0.0464 0.00000
323 0.0079 0.00000
324 0.1916 0.00000
325 -0.0188 0.00000
326 -0.0171 0.00000
327 0.0050 0.00000
328 -0.0669 0.00000
329 -0.0456 0.00000
330 0.0039 0.00000
331 -0.0223 0.00000
332 -0.0504 0.00000
333 -0.0891 0.00000
334 0.0015 0.00000
335 0.0087 0.00000
336 0.0234 0.00000
337 -0.0443 0.00000
338 0.0061 0.00000
339 0.0075 0.00000
340 -0.0335 0.00000
341 -0.0020 0.00000
342 0.0378 0.00000
343 0.0167 0.00000
344 -0.0309 0.00000
345 -0.0837 0.00000
346 0.0722 0.00000
347 -0.0227 0.00000
348 -0.0124 0.00000
349 0.0051 0.00000
350 -0.0368 0.00000
351 0.0620 0.00000
352 0.0208 0.00000
353 -0.1954 0.00000
354 0.0404 0.00000
355 -0.0110 0.00000
356 0.0305 0.00000
357 0.0772 0.00000
358 0.0471 0.00000
359 -0.0541 0.00000
360 0.0301 0.00000
361 -0.0035 0.00000
362 0.0014 0.00000
363 0.0284 0.00000
364 0.0389 0.00000
365 -0.0438 0.00000
366 0.0171 0.00000
367 0.0397 0.00000
368 -0.0231 0.00000
369 0.0216 0.00000
370 -0.0178 0.00000
371 -0.0202 0.00000
372 0.0177 0.00000
373 0.0186 0.00000
374 0.0280 0.00000
375 0.0238 0.00000
376 0.0166 0.00000
377 0.0149 0.00000
378 -0.0597 0.00000
379 0.0113 0.00000
380 0.0100 0.00000
381 -0.0339 0.00000
382 -0.0297 0.00000
383 -0.0474 0.00000
384 0.0349 0.00000
385 0.0354 0.00000
386 0.0162 0.00000
387 0.0623 0.00000
388 -0.1367 0.00000
389 0.0249 0.00000
390 -0.0255 0.00000
391 0.0258 0.00000
392 0.0117 0.00000
393 0.0164 0.00000
394 -0.0166 0.00000
395 0.0141 0.00000
396 0.0213 0.00000
397 -0.0015 0.00000
398 0.0652 0.00000
399 0.0111 0.00000
400 0.0154 0.00000
401 0.0128 0.00000
402 0.0464 0.00000
403 -0.0089 0.00000
404 0.0322 0.00000
405 0.0030 0.00000
406 0.0188 0.00000
407 -0.0048 0.00000
408 -0.0502 0.00000
409 0.0134 0.00000
410 0.0183 0.00000
411 0.0340 0.00000
412 0.0110 0.00000
413 0.0059 0.00000
414 0.0175 0.00000
415 0.0140 0.00000
416 0.0285 0.00000
417 0.0152 0.00000
418 -0.0155 0.00000
419 0.0786 0.00000
420 -0.0275 0.00000
421 -0.0156 0.00000
422 0.0176 0.00000
423 -0.0104 0.00000
424 -0.0323 0.00000
425 -0.0002 0.00000
426 -0.0194 0.00000
427 0.0354 0.00000
428 -0.0424 0.00000
429 0.0231 0.00000
430 -0.0063 0.00000
431 -0.0051 0.00000
432 0.0543 0.00000
433 0.0152 0.00000
434 -0.0058 0.00000
435 -0.0425 0.00000
436 -0.0016 0.00000
437 0.0469 0.00000
438 0.0167 0.00000
439 0.0186 0.00000
440 -0.0097 0.00000
441 -0.0084 0.00000
442 0.0056 0.00000
443 -0.0072 0.00000
444 -0.0094 0.00000
445 0.0170 0.00000
446 -0.0172 0.00000
447 0.0572 0.00000
448 0.0647 0.00000
449 0.0177 0.00000
450 -0.0224 0.00000
451 -0.0060 0.00000
452 -0.0418 0.00000
453 0.0218 0.00000
454 0.1022 0.00000
455 0.0759 0.00000
456 0.0336 0.00000
457 -0.0368 0.00000
458 0.0047 0.00000
459 0.0476 0.00000
460 0.0300 0.00000
461 0.0142 0.00000
462 -0.0102 0.00000
463 -0.0127 0.00000
464 0.0024 0.00000
465 -0.0252 0.00000
466 0.0203 0.00000
467 -0.0184 0.00000
468 -0.0055 0.00000
469 0.0168 0.00000
470 0.0201 0.00000
471 -0.0058 0.00000
472 -0.0017 0.00000
473 -0.0147 0.00000
474 -0.0180 0.00000
475 0.0233 0.00000
476 0.0172 0.00000
477 0.0424 0.00000
478 0.0375 0.00000
479 0.0415 0.00000
480 0.0358 0.00000
481 -0.0932 0.00000
482 0.0170 0.00000
483 0.0209 0.00000
484 0.0655 0.00000
485 0.0438 0.00000
486 -0.0443 0.00000
487 0.0407 0.00000
488 0.0498 0.00000
489 0.0489 0.00000
490 -0.0798 0.00000
491 0.0340 0.00000
492 -0.0288 0.00000
493 0.0253 0.00000
494 0.0459 0.00000
495 0.0418 0.00000
496 -0.0174 0.00000
497 -0.0585 0.00000
498 0.0285 0.00000
499 0.0106 0.00000
500 0.0614 0.00000
501 0.0552 0.00000
502 -0.0183 0.00000
503 0.0366 0.00000
504 -0.0559 0.00000
505 0.0250 0.00000
506 0.0157 0.00000
507 0.0814 0.00000
508 0.0412 0.00000
509 0.0507 0.00000
510 -0.0119 0.00000
511 -0.0045 0.00000
512 0.0780 0.00000
513 0.0375 0.00000
514 0.0453 0.00000
515 0.0193 0.00000
516 -0.0369 0.00000
517 0.0305 0.00000
518 0.0301 0.00000
519 0.0015 0.00000
520 0.0055 0.00000
521 -0.0215 0.00000
522 -0.0404 0.00000
523 -0.0413 0.00000
524 0.0112 0.00000
525 -0.0042 0.00000
526 -0.0433 0.00000
527 -0.0338 0.00000
528 0.0009 0.00000
529 -0.0019 0.00000
530 -0.0586 0.00000
531 -0.0012 0.00000
532 -0.1251 0.00000
533 -0.0006 0.00000
534 -0.0015 0.00000
535 -0.0339 0.00000
536 -0.0451 0.00000
537 -0.0332 0.00000
538 0.0088 0.00000
539 -0.0056 0.00000
540 0.0030 0.00000
541 0.0270 0.00000
542 -0.0639 0.00000
543 0.0175 0.00000
544 0.0927 0.00000
545 -0.0228 0.00000
546 0.0178 0.00000
547 -0.0069 0.00000
548 0.0464 0.00000
549 -0.0343 0.00000
550 -0.1590 0.00000
551 -0.0982 0.00000
552 0.0038 0.00000
553 0.1260 0.00000
554 0.0277 0.00000
555 0.0267 0.00000
556 -0.0386 0.00000
557 -0.1487 0.00000
558 -0.0114 0.00000
559 -0.0703 0.00000
560 -0.0624 0.00000
561 -0.0072 0.00000
562 0.0544 0.00000
563 -0.0382 0.00000
564 0.0286 0.00000
565 0.0281 0.00000
566 -0.0622 0.00000
567 -0.1662 0.00000
568 0.0889 0.00000
569 0.0101 0.00000
570 -0.0165 0.00000
571 0.0617 0.00000
572 0.0766 0.00000
573 -0.0299 0.00000
574 0.0575 0.00000
575 0.1584 0.00000
576 0.0201 0.00000
577 0.2407 0.00000
578 -0.1721 0.00000
579 -0.0496 0.00000
580 0.2280 0.00000
581 -0.0408 0.00000
582 -0.0493 0.00000
583 0.0346 0.00000
584 0.1132 0.00000
585 0.0215 0.00000
586 -0.0270 0.00000
587 0.0361 0.00000
588 0.0433 0.00000
589 0.0159 0.00000
590 -0.0148 0.00000
591 0.0175 0.00000
592 -0.0115 0.00000
593 -0.0192 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0290 0.00000
598 -0.0106 0.00000
599 -0.1013 0.00000
600 0.0460 0.00000
601 -0.0436 0.00000
602 -0.0373 0.00000
603 0.0502 0.00000
604 0.0873 0.00000
605 0.0057 0.00000
606 -0.0121 0.00000
607 -0.0144 0.00000
608 0.0878 0.00000
609 -0.0197 0.00000
610 0.0355 0.00000
611 -0.0354 0.00000
612 -0.0063 0.00000
613 0.0020 0.00000
614 0.0075 0.00000
615 0.0402 0.00000
616 0.1290 0.00000
617 0.0617 0.00000
618 -0.0289 0.00000
619 -0.0288 0.00000
620 0.0463 0.00000
621 0.0215 0.00000
622 -0.0478 0.00000
623 0.0163 0.00000
624 0.0104 0.00000
625 0.0170 0.00000
626 0.0209 0.00000
627 -0.0093 0.00000
628 0.0762 0.00000
629 0.0140 0.00000
630 -0.0413 0.00000
631 0.0232 0.00000
632 0.0048 0.00000
633 0.0361 0.00000
634 0.0111 0.00000
635 -0.0013 0.00000
636 -0.0831 0.00000
637 -0.0077 0.00000
638 -0.0533 0.00000
639 -0.0275 0.00000
640 -0.0060 0.00000
641 -0.0248 0.00000
642 -0.0151 0.00000
643 0.0488 0.00000
644 -0.0527 0.00000
645 -0.0477 0.00000
646 0.0191 0.00000
647 0.0179 0.00000
648 -0.0198 0.00000
649 -0.2020 0.00000
650 -0.0034 0.00000
651 0.0525 0.00000
652 -0.0369 0.00000
653 0.0051 0.00000
654 0.0206 0.00000
655 0.0209 0.00000
656 0.0465 0.00000
657 0.0090 0.00000
658 0.0016 0.00000
659 0.0266 0.00000
660 0.0195 0.00000
661 -0.0334 0.00000
662 -0.0086 0.00000
663 -0.0057 0.00000
664 -0.0470 0.00000
665 0.0469 0.00000
666 -0.0402 0.00000
667 -0.0190 0.00000
668 0.0673 0.00000
669 -0.1305 0.00000
670 0.0454 0.00000
671 0.0704 0.00000
672 0.0569 0.00000
673 0.0167 0.00000
674 0.0735 0.00000
675 0.1271 0.00000
676 0.0034 0.00000
677 0.0868 0.00000
678 0.0439 0.00000
679 -0.0955 0.00000
680 0.0635 0.00000
681 0.0132 0.00000
682 0.0673 0.00000
683 0.0603 0.00000
684 0.0167 0.00000
685 -0.0081 0.00000
686 0.0090 0.00000
687 0.0908 0.00000
688 0.1036 0.00000
689 0.0378 0.00000
690 0.1032 0.00000
691 0.0990 0.00000
692 0.0011 0.00000
693 -0.0517 0.00000
694 0.0372 0.00000
695 -0.1216 0.00000
696 -0.0236 0.00000
697 0.0469 0.00000
698 -0.0605 0.00000
699 -0.0094 0.00000
700 0.0043 0.00000
701 -0.0247 0.00000
702 0.0244 0.00000
703 0.0389 0.00000
704 0.0005 0.00000
705 0.0013 0.00000
706 -0.0700 0.00000
707 0.0891 0.00000
708 -0.0257 0.00000
709 -0.0718 0.00000
710 0.0462 0.00000
711 0.0033 0.00000
712 0.0401 0.00000
713 0.0084 0.00000
714 -0.0797 0.00000
715 -0.0298 0.00000
716 -0.0361 0.00000
717 -0.0160 0.00000
718 -0.0151 0.00000
719 0.0263 0.00000
720 0.0150 0.00000
721 -0.0609 0.00000
722 0.0146 0.00000
723 0.0363 0.00000
724 0.0058 0.00000
725 -0.0005 0.00000
726 0.0387 0.00000
727 -0.0368 0.00000
728 -0.0051 0.00000
729 0.0030 0.00000
730 0.0858 0.00000
731 -0.0167 0.00000
732 -0.0078 0.00000
733 0.0183 0.00000
734 -0.0595 0.00000
735 0.0167 0.00000
736 0.0030 0.00000
737 -0.0232 0.00000
738 -0.0530 0.00000
739 0.0378 0.00000
740 -0.0457 0.00000
741 0.0397 0.00000
742 0.0279 0.00000
743 0.0359 0.00000
744 -0.0042 0.00000
745 0.0398 0.00000
746 0.0074 0.00000
747 0.0262 0.00000
748 0.0358 0.00000
749 0.0694 0.00000
750 -0.0143 0.00000
751 0.0269 0.00000
752 0.0058 0.00000
753 -0.0210 0.00000
754 0.0037 0.00000
755 0.0650 0.00000
756 0.0737 0.00000
757 0.0451 0.00000
758 -0.0304 0.00000
759 -0.0344 0.00000
760 -0.0428 0.00000
761 0.0381 0.00000
762 -0.0264 0.00000
763 0.0743 0.00000
764 0.1079 0.00000
765 -0.0123 0.00000
766 -0.0610 0.00000
767 0.0273 0.00000
768 -0.0446 0.00000
769 0.0240 0.00000
770 0.0841 0.00000
771 -0.0173 0.00000
772 -0.0208 0.00000
773 -0.0049 0.00000
774 0.0047 0.00000
775 0.0162 0.00000
776 0.0036 0.00000
777 -0.0288 0.00000
778 0.0068 0.00000
779 -0.0092 0.00000
780 0.0148 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0114 0.00000
5 0.0208 0.00000
6 0.0654 0.00000
7 0.0146 0.00000
8 0.0399 0.00000
9 0.0205 0.00000
10 -0.0247 0.00000
11 0.0245 0.00000
12 -0.1110 0.00000
13 -0.0691 0.00000
14 -0.0093 0.00000
15 -0.0529 0.00000
16 -0.2690 0.00000
17 -0.0303 0.00000
18 -0.0350 0.00000
19 -0.0856 0.00000
20 -0.0002 0.00000
21 0.0087 0.00000
22 0.1736 0.00000
23 0.0405 0.00000
24 0.0271 0.00000
25 0.0649 0.00000
26 0.0829 0.00000
27 0.0861 0.00000
28 0.0323 0.00000
29 0.0579 0.00000
30 -0.0162 0.00000
31 -0.0675 0.00000
32 -0.0364 0.00000
33 0.0485 0.00000
34 0.0588 0.00000
35 0.0379 0.00000
36 -0.1460 0.00000
37 -0.1069 0.00000
38 0.0084 0.00000
39 0.0757 0.00000
40 -0.1384 0.00000
41 -0.0157 0.00000
42 0.0928 0.00000
43 0.0558 0.00000
44 -0.0040 0.00000
45 -0.0399 0.00000
46 0.3248 0.00000
47 -0.0543 0.00000
48 -0.0718 0.00000
49 0.0035 0.00000
50 0.0622 0.00000
51 -0.0018 0.00000
52 0.0756 0.00000
53 0.0724 0.00000
54 -0.0340 0.00000
55 0.0216 0.00000
56 -0.0474 0.00000
57 0.0692 0.00000
58 -0.0148 0.00000
59 -0.0330 0.00000
60 0.0432 0.00000
61 -0.0269 0.00000
62 0.0449 0.00000
63 -0.0338 0.00000
64 -0.0801 0.00000
65 0.0003 0.00000
66 -0.0834 0.00000
67 -0.0301 0.00000
68 0.4830 0.00000
69 -0.0052 0.00000
70 -0.0190 0.00000
71 0.0449 0.00000
72 0.0260 0.00000
73 0.0049 0.00000
74 -0.0020 0.00000
75 -0.0670 0.00000
76 -0.0486 0.00000
77 -0.0814 0.00000
78 -0.0445 0.00000
79 0.0735 0.00000
80 0.0285 0.00000
81 0.0222 0.00000
82 -0.1355 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1745 0.00000
90 0.0121 0.00000
91 -0.0518 0.00000
92 -0.0369 0.00000
93 0.1473 0.00000
94 -0.0462 0.00000
95 0.3315 0.00000
96 0.3338 0.00000
97 0.0519 0.00000
98 -0.0083 0.00000
99 -0.0171 0.00000
100 -0.0946 0.00000
101 -0.0391 0.00000
102 0.0300 0.00000
103 -0.0380 0.00000
104 -0.0775 0.00000
105 0.0197 0.00000
106 0.1060 0.00000
107 0.0037 0.00000
108 0.0266 0.00000
109 0.1464 0.00000
110 0.0064 0.00000
111 0.0659 0.00000
112 -0.0207 0.00000
113 0.0100 0.00000
114 -0.0402 0.00000
115 -0.0332 0.00000
116 -0.0775 0.00000
117 -0.0493 0.00000
118 -0.0228 0.00000
119 -0.0453 0.00000
120 0.0009 0.00000
121 -0.0050 0.00000
122 -0.0560 0.00000
123 0.0814 0.00000
124 -1.2185 0.00000
125 -0.1547 0.00000
126 -0.0518 0.00000
127 -0.0788 0.00000
128 -0.0356 0.00000
129 1.1296 0.00000
130 0.0223 0.00000
131 -0.0075 0.00000
132 -0.0145 0.00000
133 0.0262 0.00000
134 -0.0159 0.00000
135 0.0484 0.00000
136 -0.0559 0.00000
137 -0.2009 0.00000
138 -0.0402 0.00000
139 0.0713 0.00000
140 0.0760 0.00000
141 -0.0752 0.00000
142 -0.0562 0.00000
143 0.1693 0.00000
144 0.1429 0.00000
145 0.0743 0.00000
146 -0.0334 0.00000
147 -0.0325 0.00000
148 0.0821 0.00000
149 0.0023 0.00000
150 0.0721 0.00000
151 -0.0272 0.00000
152 -0.1435 0.00000
153 0.0131 0.00000
154 0.0724 0.00000
155 -0.0255 0.00000
156 0.0286 0.00000
157 0.0525 0.00000
158 0.0295 0.00000
159 -0.1404 0.00000
160 0.0679 0.00000
161 0.0104 0.00000
162 -0.0536 0.00000
163 -0.0385 0.00000
164 -0.0762 0.00000
165 0.0485 0.00000
166 -0.0042 0.00000
167 0.0243 0.00000
168 0.0500 0.00000
169 0.0074 0.00000
170 -0.0967 0.00000
171 0.1916 0.00000
172 0.0195 0.00000
173 0.0240 0.00000
174 -0.0158 0.00000
175 0.0488 0.00000
176 0.0409 0.00000
177 -0.0444 0.00000
178 0.0281 0.00000
179 -0.0147 0.00000
180 -0.0243 0.00000
181 0.1378 0.00000
182 -0.0385 0.00000
183 -0.0151 0.00000
184 0.0535 0.00000
185 -0.0083 0.00000
186 0.0489 0.00000
187 -0.0644 0.00000
188 -0.0365 0.00000
189 0.0520 0.00000
190 -0.0132 0.00000
191 0.0590 0.00000
192 0.0492 0.00000
193 -0.0242 0.00000
194 0.0599 0.00000
195 0.0848 0.00000
196 0.0344 0.00000
197 0.0792 0.00000
198 0.0239 0.00000
199 -0.0082 0.00000
200 0.0143 0.00000
201 -0.0051 0.00000
202 0.0170 0.00000
203 0.0006 0.00000
204 0.0316 0.00000
205 0.0006 0.00000
206 -0.0464 0.00000
207 -0.0092 0.00000
208 0.0176 0.00000
209 -0.0395 0.00000
210 0.0117 0.00000
211 0.0339 0.00000
212 0.0197 0.00000
213 -0.0437 0.00000
214 0.1592 0.00000
215 -0.0990 0.00000
216 -0.0308 0.00000
217 0.0149 0.00000
218 -0.0026 0.00000
219 -0.0385 0.00000
220 -0.0210 0.00000
221 -0.0233 0.00000
222 -0.0358 0.00000
223 -0.0187 0.00000
224 -0.0862 0.00000
225 0.0915 0.00000
226 0.0176 0.00000
227 -0.0557 0.00000
228 0.0365 0.00000
229 0.0338 0.00000
230 -0.0987 0.00000
231 -0.0261 0.00000
232 -0.0833 0.00000
233 -0.0529 0.00000
234 0.0728 0.00000
235 -0.1655 0.00000
236 0.0316 0.00000
237 -0.0139 0.00000
238 -0.1537 0.00000
239 -0.0065 0.00000
240 -0.0502 0.00000
241 0.0344 0.00000
242 0.0416 0.00000
243 0.0089 0.00000
244 -0.0229 0.00000
245 -0.0255 0.00000
246 0.0328 0.00000
247 0.0331 0.00000
248 0.0091 0.00000
249 0.0026 0.00000
250 0.0117 0.00000
251 0.0161 0.00000
252 -0.0418 0.00000
253 0.0325 0.00000
254 -0.0645 0.00000
255 -0.0177 0.00000
256 0.0248 0.00000
257 -0.0070 0.00000
258 0.0854 0.00000
259 0.0445 0.00000
260 0.1615 0.00000
261 0.0609 0.00000
262 -0.0245 0.00000
263 -0.0242 0.00000
264 0.0516 0.00000
265 0.0037 0.00000
266 -0.0105 0.00000
267 0.0912 0.00000
268 0.0319 0.00000
269 0.0344 0.00000
270 -0.0202 0.00000
271 0.0201 0.00000
272 0.0152 0.00000
273 0.1525 0.00000
274 0.0039 0.00000
275 0.0344 0.00000
276 -0.0033 0.00000
277 0.0692 0.00000
278 -0.0751 0.00000
279 -0.0102 0.00000
280 0.0056 0.00000
281 0.0135 0.00000
282 -0.0397 0.00000
283 0.0207 0.00000
284 -0.0298 0.00000
285 0.0096 0.00000
286 0.0621 0.00000
287 0.2969 0.00000
288 -0.0609 0.00000
289 0.0217 0.00000
290 0.0198 0.00000
291 -0.0270 0.00000
292 -0.0206 0.00000
293 0.2571 0.00000
294 0.0557 0.00000
295 -0.2121 0.00000
296 0.1583 0.00000
297 0.1041 0.00000
298 -0.1640 0.00000
299 0.0937 0.00000
300 -0.1661 0.00000
301 0.2157 0.00000
302 0.0910 0.00000
303 0.0172 0.00000
304 -0.1441 0.00000
305 0.0887 0.00000
306 -0.0109 0.00000
307 -0.0489 0.00000
308 -0.0231 0.00000
309 -0.0775 0.00000
310 -0.0087 0.00000
311 0.1642 0.00000
312 -0.0348 0.00000
313 -0.0701 0.00000
314 0.0230 0.00000
315 0.1306 0.00000
316 -0.0804 0.00000
317 -0.0110 0.00000
318 0.0197 0.00000
319 -0.0068 0.00000
320 -0.0439 0.00000
321 0.0242 0.00000
322 -0.0604 0.00000
323 0.0384 0.00000
324 -0.0831 0.00000
325 -0.0242 0.00000
326 0.0109 0.00000
327 0.0854 0.00000
328 -0.0439 0.00000
329 0.0133 0.00000
330 -0.0438 0.00000
331 -0.0020 0.00000
332 0.0081 0.00000
333 0.0543 0.00000
334 -0.0548 0.00000
335 -0.0389 0.00000
336 -0.0304 0.00000
337 0.0069 0.00000
338 -0.0902 0.00000
339 -0.0655 0.00000
340 0.0081 0.00000
341 0.0512 0.00000
342 -0.0237 0.00000
343 0.0039 0.00000
344 0.0106 0.00000
345 -0.0111 0.00000
346 0.0464 0.00000
347 0.0519 0.00000
348 -0.0481 0.00000
349 -0.0620 0.00000
350 -0.0492 0.00000
351 0.0129 0.00000
352 0.0120 0.00000
353 0.0268 0.00000
354 -0.0118 0.00000
355 -0.0761 0.00000
356 0.0208 0.00000
357 0.0253 0.00000
358 -0.0021 0.00000
359 0.0496 0.00000
360 0.0537 0.00000
361 -0.0216 0.00000
362 -0.0354 0.00000
363 0.0316 0.00000
364 0.0445 0.00000
365 -0.0439 0.00000
366 0.0252 0.00000
367 -0.0206 0.00000
368 0.0346 0.00000
369 0.0071 0.00000
370 0.0402 0.00000
371 0.0129 0.00000
372 -0.0170 0.00000
373 0.0054 0.00000
374 0.0099 0.00000
375 0.0221 0.00000
376 0.0268 0.00000
377 -0.0311 0.00000
378 -0.0229 0.00000
379 -0.0067 0.00000
380 0.0119 0.00000
381 -0.0409 0.00000
382 -0.0130 0.00000
383 -0.0403 0.00000
384 0.0543 0.00000
385 -0.0583 0.00000
386 0.0085 0.00000
387 -0.0204 0.00000
388 0.0381 0.00000
389 -0.0324 0.00000
390 -0.0454 0.00000
391 0.0414 0.00000
392 0.0414 0.00000
393 0.0088 0.00000
394 0.0024 0.00000
395 0.0349 0.00000
396 0.0221 0.00000
397 0.0480 0.00000
398 0.0144 0.00000
399 0.0054 0.00000
400 0.0191 0.00000
401 0.0161 0.00000
402 0.0015 0.00000
403 0.0563 0.00000
404 -0.0074 0.00000
405 0.0063 0.00000
406 0.0069 0.00000
407 -0.0207 0.00000
408 0.0038 0.00000
409 0.0131 0.00000
410 0.0372 0.00000
411 0.0477 0.00000
412 0.0180 0.00000
413 0.0352 0.00000
414 -0.0011 0.00000
415 0.0123 0.00000
416 -0.0084 0.00000
417 0.0084 0.00000
418 0.0185 0.00000
419 -0.0657 0.00000
420 -0.0176 0.00000
421 0.0105 0.00000
422 0.0409 0.00000
423 -0.0250 0.00000
424 0.0445 0.00000
425 -0.0060 0.00000
426 -0.0267 0.00000
427 -0.0157 0.00000
428 -0.0070 0.00000
429 -0.0186 0.00000
430 0.0161 0.00000
431 -0.0113 0.00000
432 0.0069 0.00000
433 0.0324 0.00000
434 0.0136 0.00000
435 0.0618 0.00000
436 -0.0260 0.00000
437 0.0247 0.00000
438 0.0071 0.00000
439 0.0027 0.00000
440 0.0333 0.00000
441 -0.0015 0.00000
442 0.0077 0.00000
443 -0.0499 0.00000
444 -0.0028 0.00000
445 -0.0104 0.00000
446 0.0568 0.00000
447 -0.0115 0.00000
448 -0.0208 0.00000
449 0.0521 0.00000
450 0.0589 0.00000
451 -0.0776 0.00000
452 -0.0225 0.00000
453 0.0967 0.00000
454 0.0006 0.00000
455 0.0128 0.00000
456 0.0639 0.00000
457 -0.0107 0.00000
458 0.0113 0.00000
459 0.0297 0.00000
460 0.0022 0.00000
461 0.0086 0.00000
462 -0.0065 0.00000
463 -0.0114 0.00000
464 0.0178 0.00000
465 0.0276 0.00000
466 0.0080 0.00000
467 0.0434 0.00000
468 0.0339 0.00000
469 0.0487 0.00000
470 0.0157 0.00000
471 -0.0226 0.00000
472 -0.0266 0.00000
473 -0.0284 0.00000
474 0.0008 0.00000
475 0.1006 0.00000
476 -0.0043 0.00000
477 0.0157 0.00000
478 -0.0233 0.00000
479 0.0014 0.00000
480 -0.0479 0.00000
481 -0.0029 0.00000
482 0.0421 0.00000
483 0.0135 0.00000
484 0.0016 0.00000
485 -0.0040 0.00000
486 0.0234 0.00000
487 0.0595 0.00000
488 0.0025 0.00000
489 0.0280 0.00000
490 0.0306 0.00000
491 0.0247 0.00000
492 -0.0149 0.00000
493 0.0018 0.00000
494 -0.0036 0.00000
495 0.0278 0.00000
496 -0.0014 0.00000
497 0.0540 0.00000
498 0.0098 0.00000
499 0.0475 0.00000
500 0.0201 0.00000
501 -0.0143 0.00000
502 0.0844 0.00000
503 -0.0274 0.00000
504 0.0541 0.00000
505 0.1043 0.00000
506 0.0577 0.00000
507 0.0219 0.00000
508 0.0145 0.00000
509 -0.0208 0.00000
510 0.0315 0.00000
511 -0.0010 0.00000
512 -0.0061 0.00000
513 -0.0657 0.00000
514 -0.0214 0.00000
515 0.0401 0.00000
516 0.0170 0.00000
517 0.0068 0.00000
518 0.0680 0.00000
519 0.0617 0.00000
520 -0.0939 0.00000
521 -0.0197 0.00000
522 -0.0338 0.00000
523 -0.0819 0.00000
524 -0.0283 0.00000
525 0.0027 0.00000
526 0.0332 0.00000
527 -0.0749 0.00000
528 -0.0031 0.00000
529 -0.0255 0.00000
530 -0.0568 0.00000
531 -0.0227 0.00000
532 0.1462 0.00000
533 -0.0053 0.00000
534 -0.1077 0.00000
535 -0.0295 0.00000
536 -0.0358 0.00000
537 -0.0240 0.00000
538 -0.0020 0.00000
539 -0.0606 0.00000
540 0.0004 0.00000
541 -0.1287 0.00000
542 0.0109 0.00000
543 0.0838 0.00000
544 0.0334 0.00000
545 0.1069 0.00000
546 0.0390 0.00000
547 0.0249 0.00000
548 -0.0560 0.00000
549 0.0569 0.00000
550 -0.0525 0.00000
551 -0.0231 0.00000
552 -0.0739 0.00000
553 -0.0673 0.00000
554 -0.0899 0.00000
555 -0.0006 0.00000
556 -0.0355 0.00000
557 -0.1260 0.00000
558 -0.0260 0.00000
559 -0.0306 0.00000
560 0.0896 0.00000
561 0.0207 0.00000
562 -0.0072 0.00000
563 0.0377 0.00000
564 0.0005 0.00000
565 -0.0319 0.00000
566 -0.0922 0.00000
567 0.0680 0.00000
568 -0.0632 0.00000
569 0.0571 0.00000
570 -0.0539 0.00000
571 -0.0308 0.00000
572 -0.0145 0.00000
573 0.1735 0.00000
574 0.0665 0.00000
575 0.0783 0.00000
576 -0.0075 0.00000
577 0.1173 0.00000
578 0.0535 0.00000
579 -0.2351 0.00000
580 0.1352 0.00000
581 0.1475 0.00000
582 -0.0478 0.00000
583 0.0891 0.00000
584 0.0926 0.00000
585 -0.0203 0.00000
586 0.0057 0.00000
587 0.0243 0.00000
588 0.0425 0.00000
589 0.0165 0.00000
590 -0.0036 0.00000
591 0.0098 0.00000
592 -0.0132 0.00000
593 -0.0189 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0291 0.00000
598 -0.0223 0.00000
599 -0.0995 0.00000
600 0.0206 0.00000
601 -0.0087 0.00000
602 0.0463 0.00000
603 0.0128 0.00000
604 0.0413 0.00000
605 0.0501 0.00000
606 -0.0339 0.00000
607 0.0047 0.00000
608 -0.0186 0.00000
609 -0.0363 0.00000
610 0.0052 0.00000
611 0.0132 0.00000
612 0.0814 0.00000
613 0.0456 0.00000
614 -0.0264 0.00000
615 -0.0060 0.00000
616 0.0481 0.00000
617 0.0446 0.00000
618 0.0221 0.00000
619 0.0569 0.00000
620 -0.0101 0.00000
621 -0.0102 0.00000
622 0.0002 0.00000
623 0.1199 0.00000
624 -0.0255 0.00000
625 0.0695 0.00000
626 0.0206 0.00000
627 0.0278 0.00000
628 -0.0724 0.00000
629 -0.0032 0.00000
630 -0.0051 0.00000
631 0.0185 0.00000
632 0.0217 0.00000
633 -0.0038 0.00000
634 -0.0579 0.00000
635 -0.0730 0.00000
636 -0.0430 0.00000
637 0.1018 0.00000
638 0.0113 0.00000
639 0.0075 0.00000
640 -0.0318 0.00000
641 -0.0629 0.00000
642 -0.0924 0.00000
643 -0.0383 0.00000
644 -0.0606 0.00000
645 -0.0777 0.00000
646 0.0101 0.00000
647 0.0220 0.00000
648 0.0850 0.00000
649 -0.0085 0.00000
650 -0.0198 0.00000
651 0.0171 0.00000
652 0.0281 0.00000
653 0.0224 0.00000
654 -0.0053 0.00000
655 0.0348 0.00000
656 -0.0252 0.00000
657 0.0042 0.00000
658 -0.0669 0.00000
659 0.0089 0.00000
660 0.0964 0.00000
661 0.1656 0.00000
662 0.0489 0.00000
663 -0.0559 0.00000
664 -0.2353 0.00000
665 -0.0061 0.00000
666 0.0718 0.00000
667 0.0423 0.00000
668 -0.0049 0.00000
669 -0.0113 0.00000
670 0.0383 0.00000
671 -0.0548 0.00000
672 -0.0454 0.00000
673 0.0353 0.00000
674 -0.0090 0.00000
675 0.1811 0.00000
676 0.0029 0.00000
677 -0.0683 0.00000
678 0.0347 0.00000
679 -0.0525 0.00000
680 0.0084 0.00000
681 0.0230 0.00000
682 0.0702 0.00000
683 0.2268 0.00000
684 0.0695 0.00000
685 -0.0081 0.00000
686 -0.0117 0.00000
687 0.0510 0.00000
688 0.0319 0.00000
689 0.0405 0.00000
690 0.0527 0.00000
691 -0.0253 0.00000
692 0.0059 0.00000
693 0.1283 0.00000
694 -0.0540 0.00000
695 0.0686 0.00000
696 -0.0315 0.00000
697 -0.0010 0.00000
698 -0.0563 0.00000
699 -0.0357 0.00000
700 -0.0031 0.00000
701 -0.0688 0.00000
702 0.0163 0.00000
703 -0.0313 0.00000
704 0.0103 0.00000
705 0.0460 0.00000
706 0.0460 0.00000
707 -0.0125 0.00000
708 -0.0000 0.00000
709 -0.0135 0.00000
710 -0.0226 0.00000
711 0.0186 0.00000
712 0.0070 0.00000
713 0.0199 0.00000
714 -0.0497 0.00000
715 -0.0038 0.00000
716 -0.0074 0.00000
717 -0.0326 0.00000
718 -0.0031 0.00000
719 0.0055 0.00000
720 -0.0002 0.00000
721 0.0153 0.00000
722 -0.0031 0.00000
723 0.0299 0.00000
724 0.0251 0.00000
725 -0.0337 0.00000
726 -0.0344 0.00000
727 -0.0372 0.00000
728 0.1991 0.00000
729 0.0977 0.00000
730 -0.0952 0.00000
731 0.0070 0.00000
732 -0.0302 0.00000
733 0.0003 0.00000
734 0.0359 0.00000
735 0.0295 0.00000
736 0.0311 0.00000
737 0.0167 0.00000
738 -0.0221 0.00000
739 -0.0057 0.00000
740 0.0840 0.00000
741 -0.0280 0.00000
742 -0.0002 0.00000
743 -0.0192 0.00000
744 0.0179 0.00000
745 -0.0042 0.00000
746 -0.0186 0.00000
747 -0.0023 0.00000
748 0.0195 0.00000
749 -0.0110 0.00000
750 -0.0070 0.00000
751 0.0181 0.00000
752 0.0460 0.00000
753 0.0304 0.00000
754 -0.0184 0.00000
755 -0.0152 0.00000
756 0.0150 0.00000
757 0.0367 0.00000
758 -0.0528 0.00000
759 0.0282 0.00000
760 0.0241 0.00000
761 0.0332 0.00000
762 0.1010 0.00000
763 -0.0084 0.00000
764 -0.0009 0.00000
765 -0.0120 0.00000
766 0.0088 0.00000
767 0.0851 0.00000
768 -0.0603 0.00000
769 -0.0393 0.00000
770 0.0215 0.00000
771 0.0123 0.00000
772 -0.0123 0.00000
773 0.0094 0.00000
774 0.0028 0.00000
775 0.0327 0.00000
776 -0.0129 0.00000
777 -0.0147 0.00000
778 0.0181 0.00000
779 -0.0059 0.00000
780 0.0606 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0109 0.00000
5 0.0212 0.00000
6 0.0655 0.00000
7 0.0146 0.00000
8 0.0396 0.00000
9 0.0202 0.00000
10 -0.0236 0.00000
11 0.0247 0.00000
12 -0.1115 0.00000
13 -0.0690 0.00000
14 -0.0095 0.00000
15 -0.0535 0.00000
16 -0.2472 0.00000
17 -0.0962 0.00000
18 0.0067 0.00000
19 -0.0819 0.00000
20 0.0099 0.00000
21 0.0089 0.00000
22 0.1744 0.00000
23 0.0603 0.00000
24 -0.0033 0.00000
25 0.0576 0.00000
26 0.0919 0.00000
27 0.0815 0.00000
28 -0.0377 0.00000
29 0.1333 0.00000
30 0.0141 0.00000
31 -0.0956 0.00000
32 -0.0366 0.00000
33 0.0450 0.00000
34 0.0613 0.00000
35 0.0390 0.00000
36 -0.1685 0.00000
37 -0.0666 0.00000
38 -0.0079 0.00000
39 -0.1344 0.00000
40 0.0755 0.00000
41 -0.0161 0.00000
42 0.1159 0.00000
43 0.0563 0.00000
44 -0.0456 0.00000
45 0.0152 0.00000
46 -0.0113 0.00000
47 0.2213 0.00000
48 -0.0407 0.00000
49 0.0603 0.00000
50 0.0273 0.00000
51 -0.0097 0.00000
52 0.0326 0.00000
53 0.0730 0.00000
54 0.0015 0.00000
55 -0.0109 0.00000
56 -0.0405 0.00000
57 0.0723 0.00000
58 -0.0192 0.00000
59 0.0405 0.00000
60 -0.0291 0.00000
61 0.0128 0.00000
62 -0.0180 0.00000
63 0.0313 0.00000
64 -0.1305 0.00000
65 0.0018 0.00000
66 -0.0788 0.00000
67 0.0667 0.00000
68 0.3903 0.00000
69 -0.0101 0.00000
70 0.0458 0.00000
71 -0.0162 0.00000
72 0.0260 0.00000
73 0.0106 0.00000
74 -0.0114 0.00000
75 -0.0596 0.00000
76 -0.0518 0.00000
77 -0.0791 0.00000
78 -0.0390 0.00000
79 0.0653 0.00000
80 0.0279 0.00000
81 0.0221 0.00000
82 -0.1355 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1787 0.00000
90 0.0114 0.00000
91 -0.0521 0.00000
92 -0.0452 0.00000
93 0.1393 0.00000
94 -0.0462 0.00000
95 0.3345 0.00000
96 0.3188 0.00000
97 0.0489 0.00000
98 0.0374 0.00000
99 -0.0200 0.00000
100 -0.0786 0.00000
101 -0.0792 0.00000
102 0.0423 0.00000
103 -0.0265 0.00000
104 -0.0634 0.00000
105 -0.0124 0.00000
106 0.0733 0.00000
107 0.1149 0.00000
108 0.0139 0.00000
109 0.0388 0.00000
110 0.0557 0.00000
111 0.0316 0.00000
112 0.0246 0.00000
113 0.0142 0.00000
114 -0.0420 0.00000
115 -0.0493 0.00000
116 -0.0534 0.00000
117 -0.0598 0.00000
118 -0.0274 0.00000
119 -0.0353 0.00000
120 -0.0187 0.00000
121 -0.0009 0.00000
122 -0.0457 0.00000
123 -0.1606 0.00000
124 -0.9463 0.00000
125 -0.2007 0.00000
126 -0.0458 0.00000
127 -0.0871 0.00000
128 -0.0276 0.00000
129 1.0797 0.00000
130 0.0501 0.00000
131 0.0105 0.00000
132 -0.0585 0.00000
133 0.0686 0.00000
134 -0.0181 0.00000
135 0.0501 0.00000
136 -0.0575 0.00000
137 -0.1910 0.00000
138 -0.0377 0.00000
139 0.0509 0.00000
140 0.0851 0.00000
141 -0.0735 0.00000
142 -0.0614 0.00000
143 0.1683 0.00000
144 0.1515 0.00000
145 0.0662 0.00000
146 -0.0280 0.00000
147 -0.0333 0.00000
148 0.0873 0.00000
149 -0.0058 0.00000
150 0.0756 0.00000
151 -0.0080 0.00000
152 -0.0991 0.00000
153 -0.0104 0.00000
154 0.0233 0.00000
155 0.0050 0.00000
156 -0.0019 0.00000
157 0.0325 0.00000
158 -0.1452 0.00000
159 0.0152 0.00000
160 0.1669 0.00000
161 -0.1082 0.00000
162 0.0521 0.00000
163 -0.0398 0.00000
164 -0.0076 0.00000
165 -0.0487 0.00000
166 -0.0028 0.00000
167 -0.0866 0.00000
168 0.0055 0.00000
169 0.0584 0.00000
170 0.1606 0.00000
171 0.0358 0.00000
172 0.0775 0.00000
173 -0.0335 0.00000
174 -0.0230 0.00000
175 0.0213 0.00000
176 -0.0775 0.00000
177 0.0832 0.00000
178 0.0142 0.00000
179 0.0248 0.00000
180 0.0315 0.00000
181 0.0672 0.00000
182 -0.0217 0.00000
183 0.0669 0.00000
184 -0.0293 0.00000
185 -0.0248 0.00000
186 0.0197 0.00000
187 0.0098 0.00000
188 -0.0154 0.00000
189 -0.0066 0.00000
190 -0.0079 0.00000
191 0.0169 0.00000
192 0.0180 0.00000
193 0.0866 0.00000
194 0.1101 0.00000
195 -0.0293 0.00000
196 0.0792 0.00000
197 0.0961 0.00000
198 -0.0130 0.00000
199 -0.0035 0.00000
200 -0.0039 0.00000
201 0.0584 0.00000
202 -0.0033 0.00000
203 -0.0189 0.00000
204 0.0081 0.00000
205 -0.0292 0.00000
206 0.0055 0.00000
207 0.0316 0.00000
208 -0.0429 0.00000
209 -0.0278 0.00000
210 -0.0405 0.00000
211 0.0182 0.00000
212 -0.0162 0.00000
213 -0.0127 0.00000
214 0.2078 0.00000
215 -0.1024 0.00000
216 0.0391 0.00000
217 -0.0325 0.00000
218 0.0153 0.00000
219 -0.0344 0.00000
220 -0.0328 0.00000
221 -0.0060 0.00000
222 -0.0484 0.00000
223 -0.0334 0.00000
224 -0.0780 0.00000
225 0.1270 0.00000
226 -0.0289 0.00000
227 -0.0555 0.00000
228 0.0195 0.00000
229 0.0304 0.00000
230 -0.0781 0.00000
231 -0.0256 0.00000
232 -0.0807 0.00000
233 -0.0534 0.00000
234 0.0800 0.00000
235 -0.1762 0.00000
236 0.0327 0.00000
237 -0.0399 0.00000
238 -0.1075 0.00000
239 0.0033 0.00000
240 -0.0400 0.00000
241 -0.0079 0.00000
242 -0.0076 0.00000
243 -0.0014 0.00000
244 -0.0260 0.00000
245 0.0070 0.00000
246 0.0164 0.00000
247 0.0286 0.00000
248 0.0183 0.00000
249 0.0645 0.00000
250 0.0604 0.00000
251 -0.0971 0.00000
252 0.0466 0.00000
253 -0.1042 0.00000
254 0.0316 0.00000
255 -0.0329 0.00000
256 0.0081 0.00000
257 0.0268 0.00000
258 0.0436 0.00000
259 0.0294 0.00000
260 0.2162 0.00000
261 0.0001 0.00000
262 0.0439 0.00000
263 -0.0071 0.00000
264 0.0181 0.00000
265 -0.0129 0.00000
266 0.0081 0.00000
267 0.0820 0.00000
268 -0.0106 0.00000
269 -0.0092 0.00000
270 0.0886 0.00000
271 0.1479 0.00000
272 -0.0111 0.00000
273 0.1537 0.00000
274 0.0082 0.00000
275 0.0421 0.00000
276 0.0018 0.00000
277 -0.0394 0.00000
278 -0.0479 0.00000
279 -0.0244 0.00000
280 -0.0031 0.00000
281 0.0210 0.00000
282 -0.0136 0.00000
283 0.0185 0.00000
284 0.0378 0.00000
285 -0.0029 0.00000
286 -0.1698 0.00000
287 0.0746 0.00000
288 0.2041 0.00000
289 -0.0132 0.00000
290 0.0562 0.00000
291 0.0207 0.00000
292 0.0718 0.00000
293 0.0406 0.00000
294 0.3131 0.00000
295 0.1782 0.00000
296 -0.0569 0.00000
297 -0.1641 0.00000
298 -0.0818 0.00000
299 -0.0051 0.00000
300 0.1001 0.00000
301 0.0172 0.00000
302 -0.0386 0.00000
303 -0.0513 0.00000
304 -0.0717 0.00000
305 0.0320 0.00000
306 -0.1038 0.00000
307 0.1658 0.00000
308 -0.0340 0.00000
309 0.1600 0.00000
310 0.0633 0.00000
311 0.0131 0.00000
312 -0.0268 0.00000
313 -0.0375 0.00000
314 -0.1434 0.00000
315 -0.0421 0.00000
316 -0.0702 0.00000
317 0.0087 0.00000
318 0.0284 0.00000
319 -0.0485 0.00000
320 -0.0934 0.00000
321 0.1475 0.00000
322 -0.0011 0.00000
323 0.0711 0.00000
324 -0.0445 0.00000
325 -0.0200 0.00000
326 -0.0137 0.00000
327 -0.0264 0.00000
328 0.0331 0.00000
329 -0.0217 0.00000
330 -0.0818 0.00000
331 0.0366 0.00000
332 0.0440 0.00000
333 0.0385 0.00000
334 -0.0298 0.00000
335 -0.0155 0.00000
336 -0.0400 0.00000
337 -0.0304 0.00000
338 -0.0445 0.00000
339 -0.0240 0.00000
340 0.0049 0.00000
341 0.0858 0.00000
342 -0.0220 0.00000
343 0.0372 0.00000
344 0.0054 0.00000
345 0.0461 0.00000
346 -0.0136 0.00000
347 -0.0728 0.00000
348 -0.0233 0.00000
349 0.0039 0.00000
350 -0.0806 0.00000
351 0.0167 0.00000
352 0.0290 0.00000
353 0.0351 0.00000
354 -0.0866 0.00000
355 -0.0063 0.00000
356 0.0275 0.00000
357 0.0281 0.00000
358 -0.0495 0.00000
359 -0.0635 0.00000
360 0.0349 0.00000
361 -0.0035 0.00000
362 0.0165 0.00000
363 0.0287 0.00000
364 0.0272 0.00000
365 -0.0461 0.00000
366 -0.0433 0.00000
367 0.0677 0.00000
368 0.0289 0.00000
369 -0.0000 0.00000
370 0.0059 0.00000
371 0.0920 0.00000
372 -0.0351 0.00000
373 0.0304 0.00000
374 0.0081 0.00000
375 0.0049 0.00000
376 -0.0534 0.00000
377 -0.0650 0.00000
378 0.0076 0.00000
379 -0.0032 0.00000
380 -0.0107 0.00000
381 0.0196 0.00000
382 -0.0148 0.00000
383 0.0083 0.00000
384 0.0094 0.00000
385 -0.0313 0.00000
386 -0.0183 0.00000
387 0.0008 0.00000
388 0.0246 0.00000
389 -0.0040 0.00000
390 -0.0039 0.00000
391 0.0156 0.00000
392 -0.0187 0.00000
393 0.0096 0.00000
394 0.0283 0.00000
395 0.0223 0.00000
396 0.1121 0.00000
397 0.0164 0.00000
398 0.0091 0.00000
399 0.0222 0.00000
400 0.0347 0.00000
401 -0.0194 0.00000
402 0.0183 0.00000
403 -0.0104 0.00000
404 -0.0288 0.00000
405 0.0261 0.00000
406 0.0828 0.00000
407 0.0221 0.00000
408 -0.0043 0.00000
409 0.0297 0.00000
410 0.0234 0.00000
411 -0.0013 0.00000
412 -0.0406 0.00000
413 0.0178 0.00000
414 -0.0289 0.00000
415 0.0304 0.00000
416 -0.0541 0.00000
417 0.0210 0.00000
418 -0.0211 0.00000
419 0.0056 0.00000
420 0.0179 0.00000
421 -0.0110 0.00000
422 0.0280 0.00000
423 0.0118 0.00000
424 0.0105 0.00000
425 -0.0083 0.00000
426 -0.0579 0.00000
427 -0.0251 0.00000
428 -0.0147 0.00000
429 0.0505 0.00000
430 0.0394 0.00000
431 0.0294 0.00000
432 0.0186 0.00000
433 0.0051 0.00000
434 0.0570 0.00000
435 -0.0044 0.00000
436 -0.0101 0.00000
437 -0.0271 0.00000
438 0.0644 0.00000
439 0.0026 0.00000
440 0.0272 0.00000
441 0.0217 0.00000
442 0.0439 0.00000
443 0.0105 0.00000
444 -0.0251 0.00000
445 0.0169 0.00000
446 0.0071 0.00000
447 -0.0300 0.00000
448 0.0098 0.00000
449 0.0337 0.00000
450 0.0451 0.00000
451 0.0227 0.00000
452 0.0023 0.00000
453 -0.0085 0.00000
454 0.0023 0.00000
455 -0.0403 0.00000
456 -0.0021 0.00000
457 0.0482 0.00000
458 -0.0464 0.00000
459 0.0211 0.00000
460 0.0079 0.00000
461 0.0359 0.00000
462 0.0365 0.00000
463 -0.0151 0.00000
464 0.0117 0.00000
465 0.0285 0.00000
466 0.0135 0.00000
467 0.0011 0.00000
468 0.0225 0.00000
469 0.0609 0.00000
470 -0.0076 0.00000
471 0.0447 0.00000
472 0.0071 0.00000
473 0.0161 0.00000
474 -0.0636 0.00000
475 -0.0211 0.00000
476 -0.0293 0.00000
477 -0.0221 0.00000
478 -0.0269 0.00000
479 0.0225 0.00000
480 -0.0530 0.00000
481 0.1493 0.00000
482 0.0051 0.00000
483 -0.0850 0.00000
484 0.0757 0.00000
485 0.0772 0.00000
486 0.0333 0.00000
487 -0.0261 0.00000
488 0.0038 0.00000
489 0.0173 0.00000
490 0.0171 0.00000
491 0.0177 0.00000
492 0.0876 0.00000
493 -0.0064 0.00000
494 0.0127 0.00000
495 0.0310 0.00000
496 0.0257 0.00000
497 0.0153 0.00000
498 -0.0366 0.00000
499 0.0311 0.00000
500 0.0349 0.00000
501 -0.0285 0.00000
502 -0.0224 0.00000
503 0.0280 0.00000
504 0.0566 0.00000
505 0.0018 0.00000
506 0.0194 0.00000
507 0.0437 0.00000
508 0.0140 0.00000
509 0.0452 0.00000
510 0.0037 0.00000
511 0.0221 0.00000
512 0.1203 0.00000
513 0.0051 0.00000
514 0.0812 0.00000
515 -0.0016 0.00000
516 -0.1149 0.00000
517 0.0585 0.00000
518 0.0591 0.00000
519 0.0496 0.00000
520 -0.0008 0.00000
521 -0.0145 0.00000
522 -0.1060 0.00000
523 -0.0058 0.00000
524 0.0149 0.00000
525 -0.0705 0.00000
526 0.0130 0.00000
527 -0.0120 0.00000
528 0.0024 0.00000
529 -0.0317 0.00000
530 -0.0046 0.00000
531 -0.0657 0.00000
532 -0.0204 0.00000
533 -0.0151 0.00000
534 -0.0681 0.00000
535 0.0560 0.00000
536 -0.1792 0.00000
537 0.0104 0.00000
538 -0.0055 0.00000
539 -0.1688 0.00000
540 -0.0130 0.00000
541 -0.0105 0.00000
542 0.0330 0.00000
543 -0.0211 0.00000
544 -0.0108 0.00000
545 0.1320 0.00000
546 0.0526 0.00000
547 0.0265 0.00000
548 -0.1038 0.00000
549 0.0244 0.00000
550 0.1052 0.00000
551 -0.0376 0.00000
552 -0.1368 0.00000
553 -0.0053 0.00000
554 0.0433 0.00000
555 -0.0770 0.00000
556 -0.0463 0.00000
557 -0.0495 0.00000
558 -0.0093 0.00000
559 0.0922 0.00000
560 0.0179 0.00000
561 -0.0884 0.00000
562 -0.0530 0.00000
563 0.0295 0.00000
564 -0.1373 0.00000
565 -0.0088 0.00000
566 -0.0044 0.00000
567 0.0015 0.00000
568 0.0939 0.00000
569 -0.0697 0.00000
570 -0.0158 0.00000
571 0.0457 0.00000
572 0.0363 0.00000
573 0.0039 0.00000
574 0.0917 0.00000
575 0.0404 0.00000
576 0.0609 0.00000
577 0.1547 0.00000
578 -0.0046 0.00000
579 -0.0676 0.00000
580 0.1716 0.00000
581 -0.1112 0.00000
582 0.0920 0.00000
583 0.0411 0.00000
584 0.0752 0.00000
585 -0.0411 0.00000
586 0.0415 0.00000
587 0.0274 0.00000
588 0.0492 0.00000
589 0.0162 0.00000
590 -0.0142 0.00000
591 0.0176 0.00000
592 -0.0108 0.00000
593 -0.0185 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0287 0.00000
597 0.0290 0.00000
598 -0.0099 0.00000
599 -0.1276 0.00000
600 -0.0004 0.00000
601 0.0874 0.00000
602 0.0071 0.00000
603 0.0002 0.00000
604 -0.0338 0.00000
605 0.0292 0.00000
606 0.0275 0.00000
607 0.0094 0.00000
608 -0.0087 0.00000
609 0.0342 0.00000
610 0.0128 0.00000
611 0.1209 0.00000
612 0.0445 0.00000
613 0.0092 0.00000
614 -0.0269 0.00000
615 -0.0326 0.00000
616 -0.0189 0.00000
617 0.0415 0.00000
618 0.0530 0.00000
619 0.0617 0.00000
620 -0.0283 0.00000
621 -0.0394 0.00000
622 0.0059 0.00000
623 -0.0893 0.00000
624 0.0083 0.00000
625 0.0275 0.00000
626 0.0571 0.00000
627 0.0765 0.00000
628 0.0139 0.00000
629 0.0148 0.00000
630 0.0030 0.00000
631 0.0922 0.00000
632 -0.1311 0.00000
633 0.0251 0.00000
634 -0.0307 0.00000
635 -0.0071 0.00000
636 -0.0055 0.00000
637 0.0397 0.00000
638 -0.0196 0.00000
639 -0.0336 0.00000
640 -0.0670 0.00000
641 -0.0336 0.00000
642 -0.0864 0.00000
643 -0.0060 0.00000
644 0.0389 0.00000
645 0.0792 0.00000
646 0.0172 0.00000
647 -0.0377 0.00000
648 0.0466 0.00000
649 0.0160 0.00000
650 -0.0241 0.00000
651 0.0022 0.00000
652 0.0039 0.00000
653 -0.0714 0.00000
654 0.0054 0.00000
655 0.0297 0.00000
656 0.0161 0.00000
657 -0.0202 0.00000
658 -0.0553 0.00000
659 0.0056 0.00000
660 0.0523 0.00000
661 0.0065 0.00000
662 0.0119 0.00000
663 -0.0073 0.00000
664 -0.0197 0.00000
665 0.0543 0.00000
666 0.0508 0.00000
667 0.0581 0.00000
668 -0.0583 0.00000
669 -0.0519 0.00000
670 0.1012 0.00000
671 -0.0545 0.00000
672 0.0411 0.00000
673 -0.1019 0.00000
674 -0.0041 0.00000
675 -0.0745 0.00000
676 -0.0084 0.00000
677 0.0413 0.00000
678 0.0475 0.00000
679 0.0396 0.00000
680 0.0244 0.00000
681 0.0150 0.00000
682 -0.0624 0.00000
683 0.0340 0.00000
684 0.0071 0.00000
685 0.0117 0.00000
686 -0.0461 0.00000
687 0.0887 0.00000
688 0.1524 0.00000
689 0.1243 0.00000
690 0.1067 0.00000
691 0.0655 0.00000
692 -0.0407 0.00000
693 0.0092 0.00000
694 -0.0153 0.00000
695 -0.0664 0.00000
696 -0.0404 0.00000
697 0.0727 0.00000
698 0.0648 0.00000
699 0.0002 0.00000
700 0.2194 0.00000
701 -0.0190 0.00000
702 -0.0406 0.00000
703 -0.0004 0.00000
704 0.0346 0.00000
705 0.0361 0.00000
706 0.0065 0.00000
707 -0.0858 0.00000
708 0.0751 0.00000
709 -0.0468 0.00000
710 -0.0010 0.00000
711 -0.0264 0.00000
712 -0.1045 0.00000
713 0.0957 0.00000
714 0.0435 0.00000
715 0.0220 0.00000
716 0.0740 0.00000
717 -0.0278 0.00000
718 -0.0559 0.00000
719 0.0409 0.00000
720 0.0289 0.00000
721 0.0340 0.00000
722 -0.0915 0.00000
723 -0.0067 0.00000
724 0.0173 0.00000
725 0.0083 0.00000
726 -0.0592 0.00000
727 -0.0014 0.00000
728 0.0211 0.00000
729 0.0478 0.00000
730 0.0007 0.00000
731 0.0415 0.00000
732 -0.0691 0.00000
733 -0.0631 0.00000
734 -0.0151 0.00000
735 0.0270 0.00000
736 -0.0072 0.00000
737 -0.0183 0.00000
738 0.0032 0.00000
739 0.0106 0.00000
740 -0.0060 0.00000
741 0.0077 0.00000
742 -0.0321 0.00000
743 -0.0030 0.00000
744 0.0149 0.00000
745 0.0160 0.00000
746 -0.0108 0.00000
747 -0.0235 0.00000
748 -0.0125 0.00000
749 0.0093 0.00000
750 0.0458 0.00000
751 0.0233 0.00000
752 0.0689 0.00000
753 -0.0287 0.00000
754 -0.0352 0.00000
755 0.0671 0.00000
756 -0.0305 0.00000
757 0.0239 0.00000
758 0.0428 0.00000
759 -0.0223 0.00000
760 -0.0389 0.00000
761 0.1284 0.00000
762 0.0271 0.00000
763 0.0337 0.00000
764 -0.0053 0.00000
765 0.0121 0.00000
766 -0.0111 0.00000
767 0.0067 0.00000
768 -0.0589 0.00000
769 -0.0166 0.00000
770 -0.0414 0.00000
771 -0.0014 0.00000
772 0.0095 0.00000
773 0.0293 0.00000
774 0.0328 0.00000
775 0.0293 0.00000
776 0.0143 0.00000
777 -0.0219 0.00000
778 -0.0391 0.00000
779 0.0273 0.00000
780 -0.0120 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0661 0.00000
2 0.0793 0.00000
3 0.0854 0.00000
4 0.0110 0.00000
5 0.0211 0.00000
6 0.0654 0.00000
7 0.0147 0.00000
8 0.0395 0.00000
9 0.0203 0.00000
10 -0.0237 0.00000
11 0.0247 0.00000
12 -0.1116 0.00000
13 -0.0690 0.00000
14 -0.0095 0.00000
15 -0.0535 0.00000
16 -0.2696 0.00000
17 -0.0284 0.00000
18 -0.0379 0.00000
19 -0.1149 0.00000
20 0.0302 0.00000
21 0.0097 0.00000
22 0.1816 0.00000
23 0.0444 0.00000
24 0.0577 0.00000
25 0.0187 0.00000
26 0.0918 0.00000
27 0.0812 0.00000
28 -0.0294 0.00000
29 0.1319 0.00000
30 -0.0034 0.00000
31 -0.0805 0.00000
32 -0.0431 0.00000
33 0.0482 0.00000
34 0.0584 0.00000
35 0.0379 0.00000
36 -0.1493 0.00000
37 -0.1056 0.00000
38 0.0094 0.00000
39 0.0757 0.00000
40 -0.1355 0.00000
41 -0.0162 0.00000
42 0.0674 0.00000
43 0.0556 0.00000
44 0.0119 0.00000
45 -0.0307 0.00000
46 0.3303 0.00000
47 -0.0618 0.00000
48 -0.0714 0.00000
49 0.0168 0.00000
50 0.0429 0.00000
51 -0.0077 0.00000
52 0.0774 0.00000
53 0.0726 0.00000
54 0.0146 0.00000
55 -0.0207 0.00000
56 -0.0485 0.00000
57 0.0723 0.00000
58 -0.0198 0.00000
59 -0.0306 0.00000
60 0.0457 0.00000
61 -0.0606 0.00000
62 0.0473 0.00000
63 0.0173 0.00000
64 -0.1033 0.00000
65 -0.0035 0.00000
66 -0.0831 0.00000
67 -0.0007 0.00000
68 0.4590 0.00000
69 -0.0103 0.00000
70 0.0457 0.00000
71 -0.0153 0.00000
72 0.0260 0.00000
73 0.0108 0.00000
74 -0.0113 0.00000
75 -0.0603 0.00000
76 -0.0511 0.00000
77 -0.0806 0.00000
78 -0.0394 0.00000
79 0.0670 0.00000
80 0.0278 0.00000
81 0.0223 0.00000
82 -0.1355 0.00000
83 0.0789 0.00000
84 -0.0895 0.00000
85 0.0493 0.00000
86 -0.0325 0.00000
87 0.0153 0.00000
88 -0.0487 0.00000
89 0.1786 0.00000
90 0.0114 0.00000
91 -0.0519 0.00000
92 -0.0449 0.00000
93 0.1339 0.00000
94 -0.0471 0.00000
95 0.3465 0.00000
96 0.3138 0.00000
97 0.0590 0.00000
98 0.0089 0.00000
99 -0.0075 0.00000
100 -0.1103 0.00000
101 -0.0391 0.00000
102 0.0386 0.00000
103 -0.0350 0.00000
104 -0.0822 0.00000
105 -0.0079 0.00000
106 0.1199 0.00000
107 0.1104 0.00000
108 0.0096 0.00000
109 0.0423 0.00000
110 0.0514 0.00000
111 0.0332 0.00000
112 -0.0325 0.00000
113 0.0437 0.00000
114 -0.0443 0.00000
115 -0.0504 0.00000
116 -0.0523 0.00000
117 -0.0491 0.00000
118 -0.0273 0.00000
119 0.0002 0.00000
120 -0.0469 0.00000
121 -0.0114 0.00000
122 -0.0505 0.00000
123 0.0274 0.00000
124 -1.2598 0.00000
125 -0.0695 0.00000
126 -0.0425 0.00000
127 -0.0832 0.00000
128 -0.0228 0.00000
129 1.0684 0.00000
130 0.0229 0.00000
131 0.0412 0.00000
132 -0.0547 0.00000
133 0.0638 0.00000
134 -0.0116 0.00000
135 0.0491 0.00000
136 -0.0572 0.00000
137 -0.1896 0.00000
138 -0.0377 0.00000
139 0.0581 0.00000
140 0.0755 0.00000
141 -0.0742 0.00000
142 -0.0619 0.00000
143 0.1722 0.00000
144 0.1436 0.00000
145 0.0685 0.00000
146 -0.0266 0.00000
147 -0.0333 0.00000
148 0.0890 0.00000
149 -0.0024 0.00000
150 0.0670 0.00000
151 -0.0206 0.00000
152 -0.1090 0.00000
153 -0.0223 0.00000
154 0.0580 0.00000
155 -0.0137 0.00000
156 0.0119 0.00000
157 0.0205 0.00000
158 0.0604 0.00000
159 -0.0727 0.00000
160 0.0164 0.00000
161 -0.0240 0.00000
162 -0.0236 0.00000
163 0.0016 0.00000
164 0.0446 0.00000
165 -0.1130 0.00000
166 -0.0198 0.00000
167 0.0181 0.00000
168 -0.0026 0.00000
169 0.1611 0.00000
170 0.0367 0.00000
171 -0.1064 0.00000
172 0.0399 0.00000
173 0.0558 0.00000
174 0.0295 0.00000
175 0.0409 0.00000
176 0.0117 0.00000
177 0.0212 0.00000
178 -0.0043 0.00000
179 -0.0057 0.00000
180 0.0738 0.00000
181 -0.0115 0.00000
182 0.0069 0.00000
183 0.0665 0.00000
184 -0.0364 0.00000
185 0.0417 0.00000
186 -0.0250 0.00000
187 -0.0620 0.00000
188 -0.0040 0.00000
189 0.0281 0.00000
190 0.0003 0.00000
191 0.0524 0.00000
192 0.0533 0.00000
193 0.0417 0.00000
194 0.0147 0.00000
195 0.0752 0.00000
196 0.0284 0.00000
197 0.0897 0.00000
198 0.0140 0.00000
199 -0.0166 0.00000
200 0.0104 0.00000
201 0.0387 0.00000
202 0.0153 0.00000
203 0.0032 0.00000
204 -0.0176 0.00000
205 -0.0174 0.00000
206 0.0030 0.00000
207 0.0037 0.00000
208 -0.0170 0.00000
209 -0.0278 0.00000
210 -0.0521 0.00000
211 0.0491 0.00000
212 0.0197 0.00000
213 0.0049 0.00000
214 0.1413 0.00000
215 -0.1419 0.00000
216 -0.0130 0.00000
217 0.0323 0.00000
218 0.0372 0.00000
219 -0.0370 0.00000
220 -0.0339 0.00000
221 -0.0137 0.00000
222 -0.0451 0.00000
223 -0.0322 0.00000
224 -0.0063 0.00000
225 0.0579 0.00000
226 -0.0268 0.00000
227 -0.0558 0.00000
228 0.0187 0.00000
229 0.0305 0.00000
230 -0.0781 0.00000
231 -0.0255 0.00000
232 -0.0819 0.00000
233 -0.0529 0.00000
234 0.0798 0.00000
235 -0.1588 0.00000
236 0.0333 0.00000
237 0.0191 0.00000
238 -0.2058 0.00000
239 0.0110 0.00000
240 -0.0300 0.00000
241 0.0125 0.00000
242 -0.0056 0.00000
243 0.0122 0.00000
244 -0.0305 0.00000
245 -0.0037 0.00000
246 0.0185 0.00000
247 0.0299 0.00000
248 0.0046 0.00000
249 0.0325 0.00000
250 0.0744 0.00000
251 -0.0488 0.00000
252 -0.1176 0.00000
253 0.0080 0.00000
254 0.0543 0.00000
255 -0.0023 0.00000
256 0.0500 0.00000
257 0.0277 0.00000
258 0.0131 0.00000
259 0.1473 0.00000
260 0.0293 0.00000
261 0.0709 0.00000
262 -0.0446 0.00000
263 -0.0155 0.00000
264 0.0087 0.00000
265 0.0470 0.00000
266 0.0174 0.00000
267 0.0257 0.00000
268 0.0809 0.00000
269 -0.0258 0.00000
270 0.1254 0.00000
271 0.0132 0.00000
272 0.0171 0.00000
273 0.1698 0.00000
274 0.0105 0.00000
275 0.0107 0.00000
276 -0.0093 0.00000
277 0.0105 0.00000
278 -0.0731 0.00000
279 0.0090 0.00000
280 0.0013 0.00000
281 0.0264 0.00000
282 0.0192 0.00000
283 -0.0307 0.00000
284 0.0514 0.00000
285 0.0541 0.00000
286 0.0539 0.00000
287 -0.0173 0.00000
288 -0.0398 0.00000
289 0.0028 0.00000
290 -0.0585 0.00000
291 0.1682 0.00000
292 0.0544 0.00000
293 0.2083 0.00000
294 0.2149 0.00000
295 -0.0888 0.00000
296 0.0257 0.00000
297 0.0928 0.00000
298 -0.2100 0.00000
299 0.0466 0.00000
300 0.0343 0.00000
301 0.0144 0.00000
302 -0.0614 0.00000
303 0.0704 0.00000
304 -0.1441 0.00000
305 0.0863 0.00000
306 -0.0125 0.00000
307 -0.0710 0.00000
308 -0.0416 0.00000
309 0.2273 0.00000
310 -0.0157 0.00000
311 -0.0038 0.00000
312 -0.1172 0.00000
313 -0.0647 0.00000
314 0.1419 0.00000
315 -0.0349 0.00000
316 0.0004 0.00000
317 -0.1097 0.00000
318 0.0498 0.00000
319 -0.0593 0.00000
320 -0.0510 0.00000
321 0.1345 0.00000
322 -0.0129 0.00000
323 0.0767 0.00000
324 -0.0146 0.00000
325 -0.0095 0.00000
326 0.0158 0.00000
327 -0.0333 0.00000
328 -0.0415 0.00000
329 -0.0237 0.00000
330 0.0146 0.00000
331 0.0035 0.00000
332 0.0031 0.00000
333 0.0546 0.00000
334 -0.0248 0.00000
335 -0.0675 0.00000
336 0.0074 0.00000
337 -0.0507 0.00000
338 -0.0390 0.00000
339 -0.0075 0.00000
340 -0.0229 0.00000
341 -0.0548 0.00000
342 -0.0152 0.00000
343 0.0015 0.00000
344 0.0661 0.00000
345 0.0664 0.00000
346 -0.0318 0.00000
347 -0.0307 0.00000
348 0.0107 0.00000
349 -0.0885 0.00000
350 -0.0103 0.00000
351 0.0334 0.00000
352 -0.0695 0.00000
353 -0.1237 0.00000
354 0.0623 0.00000
355 0.0285 0.00000
356 0.0066 0.00000
357 0.0371 0.00000
358 0.0115 0.00000
359 0.0293 0.00000
360 -0.0150 0.00000
361 -0.0167 0.00000
362 0.0135 0.00000
363 -0.0012 0.00000
364 0.0561 0.00000
365 0.0254 0.00000
366 -0.0322 0.00000
367 0.0420 0.00000
368 -0.0166 0.00000
369 0.0069 0.00000
370 0.0341 0.00000
371 0.0136 0.00000
372 0.0336 0.00000
373 0.0114 0.00000
374 -0.0105 0.00000
375 0.0345 0.00000
376 0.0083 0.00000
377 -0.0877 0.00000
378 0.0108 0.00000
379 -0.0308 0.00000
380 0.0137 0.00000
381 -0.0410 0.00000
382 0.0154 0.00000
383 0.0675 0.00000
384 -0.0374 0.00000
385 -0.1284 0.00000
386 0.0394 0.00000
387 -0.0187 0.00000
388 0.0325 0.00000
389 -0.0268 0.00000
390 0.0141 0.00000
391 -0.0041 0.00000
392 0.0121 0.00000
393 0.0651 0.00000
394 0.0421 0.00000
395 0.0122 0.00000
396 0.0203 0.00000
397 -0.0051 0.00000
398 0.0236 0.00000
399 0.0454 0.00000
400 0.0439 0.00000
401 0.0434 0.00000
402 0.0092 0.00000
403 -0.0350 0.00000
404 0.0255 0.00000
405 0.0029 0.00000
406 -0.0010 0.00000
407 -0.0068 0.00000
408 0.0235 0.00000
409 0.0230 0.00000
410 0.0035 0.00000
411 0.0371 0.00000
412 -0.0120 0.00000
413 0.0045 0.00000
414 0.0257 0.00000
415 -0.0226 0.00000
416 0.0019 0.00000
417 -0.0256 0.00000
418 0.0228 0.00000
419 -0.0333 0.00000
420 0.0261 0.00000
421 -0.0023 0.00000
422 0.0619 0.00000
423 -0.0501 0.00000
424 -0.0084 0.00000
425 -0.0376 0.00000
426 -0.0306 0.00000
427 0.0087 0.00000
428 0.0391 0.00000
429 -0.0060 0.00000
430 0.0194 0.00000
431 -0.0156 0.00000
432 0.0412 0.00000
433 -0.0069 0.00000
434 0.0416 0.00000
435 0.1286 0.00000
436 0.0217 0.00000
437 -0.0657 0.00000
438 0.0010 0.00000
439 0.0473 0.00000
440 -0.0587 0.00000
441 0.0224 0.00000
442 0.0041 0.00000
443 -0.0377 0.00000
444 -0.0365 0.00000
445 -0.0064 0.00000
446 0.1237 0.00000
447 0.0097 0.00000
448 -0.0305 0.00000
449 0.0256 0.00000
450 -0.0158 0.00000
451 0.0022 0.00000
452 0.0078 0.00000
453 -0.0081 0.00000
454 0.0361 0.00000
455 0.0273 0.00000
456 -0.0222 0.00000
457 0.0361 0.00000
458 0.0187 0.00000
459 0.0304 0.00000
460 0.0481 0.00000
461 -0.0490 0.00000
462 0.0512 0.00000
463 -0.0091 0.00000
464 -0.0014 0.00000
465 0.0379 0.00000
466 0.0149 0.00000
467 0.0124 0.00000
468 0.0555 0.00000
469 -0.0018 0.00000
470 0.0163 0.00000
471 0.0522 0.00000
472 0.0312 0.00000
473 -0.0217 0.00000
474 -0.0084 0.00000
475 -0.0394 0.00000
476 -0.0147 0.00000
477 -0.0065 0.00000
478 -0.0605 0.00000
479 0.0668 0.00000
480 0.0108 0.00000
481 -0.0110 0.00000
482 -0.0288 0.00000
483 0.0340 0.00000
484 0.0687 0.00000
485 0.0484 0.00000
486 0.0421 0.00000
487 0.0115 0.00000
488 -0.0236 0.00000
489 0.0073 0.00000
490 -0.0098 0.00000
491 0.0091 0.00000
492 -0.0049 0.00000
493 -0.0361 0.00000
494 0.0860 0.00000
495 -0.0072 0.00000
496 0.0652 0.00000
497 0.0583 0.00000
498 0.0028 0.00000
499 -0.0078 0.00000
500 0.0050 0.00000
501 0.0417 0.00000
502 -0.0007 0.00000
503 0.0274 0.00000
504 0.0226 0.00000
505 0.0037 0.00000
506 0.1083 0.00000
507 -0.0032 0.00000
508 0.0275 0.00000
509 0.0048 0.00000
510 0.0259 0.00000
511 0.0040 0.00000
512 0.0307 0.00000
513 0.1223 0.00000
514 -0.0157 0.00000
515 0.0029 0.00000
516 0.0201 0.00000
517 0.0205 0.00000
518 -0.0080 0.00000
519 0.0029 0.00000
520 -0.0469 0.00000
521 -0.0028 0.00000
522 -0.1149 0.00000
523 -0.0245 0.00000
524 0.0139 0.00000
525 0.0093 0.00000
526 -0.0204 0.00000
527 -0.1177 0.00000
528 -0.0132 0.00000
529 0.0292 0.00000
530 -0.0144 0.00000
531 0.0021 0.00000
532 -0.0346 0.00000
533 0.0415 0.00000
534 -0.0460 0.00000
535 -0.0893 0.00000
536 -0.0409 0.00000
537 -0.0677 0.00000
538 -0.0433 0.00000
539 0.0048 0.00000
540 -0.0584 0.00000
541 0.0297 0.00000
542 -0.0241 0.00000
543 0.0664 0.00000
544 0.0436 0.00000
545 0.2212 0.00000
546 -0.0187 0.00000
547 0.0003 0.00000
548 0.0178 0.00000
549 -0.0682 0.00000
550 -0.1792 0.00000
551 0.0027 0.00000
552 -0.0468 0.00000
553 -0.0050 0.00000
554 -0.0096 0.00000
555 -0.0598 0.00000
556 0.0405 0.00000
557 -0.0720 0.00000
558 -0.1042 0.00000
559 0.1306 0.00000
560 -0.0027 0.00000
561 -0.0191 0.00000
562 -0.0500 0.00000
563 -0.1340 0.00000
564 0.0083 0.00000
565 -0.0344 0.00000
566 0.0004 0.00000
567 -0.0244 0.00000
568 -0.1026 0.00000
569 0.1570 0.00000
570 -0.0246 0.00000
571 -0.0062 0.00000
572 0.0373 0.00000
573 0.2296 0.00000
574 0.0262 0.00000
575 -0.0218 0.00000
576 0.0308 0.00000
577 0.2078 0.00000
578 -0.1286 0.00000
579 0.1873 0.00000
580 -0.0756 0.00000
581 -0.0062 0.00000
582 0.0363 0.00000
583 0.0057 0.00000
584 0.1355 0.00000
585 0.0282 0.00000
586 -0.0476 0.00000
587 0.0382 0.00000
588 0.0465 0.00000
589 0.0159 0.00000
590 -0.0158 0.00000
591 0.0179 0.00000
592 -0.0109 0.00000
593 -0.0192 0.00000
594 0.0148 0.00000
595 0.0150 0.00000
596 0.0286 0.00000
597 0.0290 0.00000
598 -0.0107 0.00000
599 -0.1217 0.00000
600 -0.0197 0.00000
601 0.0469 0.00000
602 -0.0088 0.00000
603 0.0746 0.00000
604 -0.0340 0.00000
605 0.0532 0.00000
606 0.0371 0.00000
607 -0.0542 0.00000
608 0.0144 0.00000
609 0.0117 0.00000
610 0.0930 0.00000
611 -0.0057 0.00000
612 0.0642 0.00000
613 -0.0126 0.00000
614 -0.0008 0.00000
615 -0.0116 0.00000
616 0.0750 0.00000
617 0.0254 0.00000
618 0.0492 0.00000
619 -0.0524 0.00000
620 0.0661 0.00000
621 -0.0310 0.00000
622 -0.0150 0.00000
623 -0.0191 0.00000
624 0.0204 0.00000
625 -0.0655 0.00000
626 0.0337 0.00000
627 0.0665 0.00000
628 0.0118 0.00000
629 0.0639 0.00000
630 0.0342 0.00000
631 0.0739 0.00000
632 -0.0400 0.00000
633 -0.0751 0.00000
634 0.0142 0.00000
635 -0.0365 0.00000
636 0.0340 0.00000
637 0.0293 0.00000
638 -0.0739 0.00000
639 0.0576 0.00000
640 -0.0924 0.00000
641 0.0058 0.00000
642 0.0019 0.00000
643 -0.1007 0.00000
644 -0.1522 0.00000
645 0.0053 0.00000
646 0.0141 0.00000
647 0.0229 0.00000
648 -0.0038 0.00000
649 0.0568 0.00000
650 0.0761 0.00000
651 -0.1712 0.00000
652 0.0099 0.00000
653 0.0301 0.00000
654 0.0049 0.00000
655 -0.0035 0.00000
656 -0.0221 0.00000
657 0.0152 0.00000
658 -0.0726 0.00000
659 0.0374 0.00000
660 0.0163 0.00000
661 0.0161 0.00000
662 0.0327 0.00000
663 0.0010 0.00000
664 0.0040 0.00000
665 0.1693 0.00000
666 0.0563 0.00000
667 -0.0483 0.00000
668 -0.0220 0.00000
669 -0.1328 0.00000
670 -0.0565 0.00000
671 0.0192 0.00000
672 0.0759 0.00000
673 0.0316 0.00000
674 -0.0276 0.00000
675 0.0170 0.00000
676 0.0332 0.00000
677 0.0423 0.00000
678 0.0408 0.00000
679 0.0239 0.00000
680 -0.0465 0.00000
681 0.0523 0.00000
682 0.0274 0.00000
683 0.0402 0.00000
684 0.0295 0.00000
685 0.0655 0.00000
686 -0.0059 0.00000
687 0.0262 0.00000
688 0.2359 0.00000
689 0.0560 0.00000
690 0.0359 0.00000
691 -0.0451 0.00000
692 0.0792 0.00000
693 0.0219 0.00000
694 0.0095 0.00000
695 -0.0742 0.00000
696 -0.0502 0.00000
697 0.0397 0.00000
698 0.0071 0.00000
699 0.0032 0.00000
700 0.0586 0.00000
701 0.1018 0.00000
702 -0.0735 0.00000
703 -0.0169 0.00000
704 -0.0079 0.00000
705 -0.0001 0.00000
706 0.0031 0.00000
707 0.0104 0.00000
708 -0.0104 0.00000
709 -0.0084 0.00000
710 0.0443 0.00000
711 -0.0109 0.00000
712 -0.0268 0.00000
713 -0.0431 0.00000
714 0.0722 0.00000
715 -0.0226 0.00000
716 -0.0045 0.00000
717 0.0016 0.00000
718 -0.0200 0.00000
719 0.0189 0.00000
720 0.0109 0.00000
721 0.0439 0.00000
722 -0.0242 0.00000
723 0.0103 0.00000
724 0.0007 0.00000
725 0.0255 0.00000
726 -0.0780 0.00000
727 0.0354 0.00000
728 -0.0391 0.00000
729 0.0024 0.00000
730 -0.0315 0.00000
731 0.0307 0.00000
732 0.0298 0.00000
733 -0.0677 0.00000
734 -0.0152 0.00000
735 0.0242 0.00000
736 -0.0191 0.00000
737 0.0120 0.00000
738 -0.0365 0.00000
739 0.0580 0.00000
740 -0.0441 0.00000
741 -0.0167 0.00000
742 0.0425 0.00000
743 0.0369 0.00000
744 0.0530 0.00000
745 -0.0255 0.00000
746 0.0088 0.00000
747 0.0379 0.00000
748 -0.0300 0.00000
749 0.0437 0.00000
750 -0.0032 0.00000
751 -0.0195 0.00000
752 -0.0353 0.00000
753 -0.0272 0.00000
754 -0.0462 0.00000
755 0.0115 0.00000
756 0.0915 0.00000
757 -0.0274 0.00000
758 0.0406 0.00000
759 0.0801 0.00000
760 0.0201 0.00000
761 0.1473 0.00000
762 0.0274 0.00000
763 0.0611 0.00000
764 0.0205 0.00000
765 -0.0667 0.00000
766 0.0087 0.00000
767 0.0113 0.00000
768 0.0220 0.00000
769 -0.0152 0.00000
770 -0.0210 0.00000
771 0.0024 0.00000
772 -0.0420 0.00000
773 -0.0139 0.00000
774 0.0415 0.00000
775 0.0010 0.00000
776 -0.0219 0.00000
777 0.0171 0.00000
778 -0.0324 0.00000
779 0.0241 0.00000
780 0.0122 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 1 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
0.02023 -1.63487 -6.35058
-1.63429 1.02637 -3.80629
-6.35072 -3.80626 0.30464
POSITION FORCE-CONSTANT FOR ION 1 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -24.298833 -1.608944 -1.224562
4.30302 2.15352 7.05746 -0.022267 0.012279 0.022847
1.30883 4.06731 2.03161 0.160544 -0.382427 -0.218403
3.96992 4.32885 4.13194 -0.155963 0.064460 -0.012603
1.29275 3.05683 8.10201 -0.062714 -0.006611 -0.013748
3.79636 1.47547 14.70421 1.027327 -0.423561 -1.297707
1.24643 4.63551 10.86193 -0.334575 0.001745 -0.025364
3.89005 4.20092 12.88287 -0.017403 0.524594 -0.366304
1.04482 6.69020 17.44020 -0.182275 -0.090210 0.058780
3.77370 7.04599 6.61024 -0.026186 -0.008985 0.003571
0.71312 9.21049 2.53845 -0.037867 -0.025756 -0.002613
3.86880 9.70388 4.59023 -0.014884 -0.024165 0.004872
1.19399 7.29663 8.75952 -0.039768 0.008758 -0.018792
4.14925 6.52609 15.71477 0.025213 0.200488 0.123822
1.16791 10.19708 10.50563 -0.068364 -0.002125 0.012571
3.90202 11.30466 11.97145 -0.030141 -0.019653 -0.052339
1.41963 13.48240 16.88000 -0.227460 -0.044962 -0.201745
3.89470 12.50036 6.39588 0.001813 -0.052427 0.078090
1.24092 15.65995 2.03746 -0.547897 -0.517911 -0.236212
3.45676 13.88732 3.60018 0.128596 -0.137664 0.105834
1.37686 12.90671 8.69683 -0.042804 0.006982 0.023665
4.20896 12.98001 14.89140 -0.044917 -0.100014 0.016280
1.28271 15.54574 11.35729 -0.332029 -0.010148 0.031811
4.02704 16.14416 13.12883 -0.032487 -0.441316 -0.390529
8.51844 2.13686 0.32759 0.194799 0.020537 -0.008174
10.42520 1.68659 6.72748 0.068549 -0.012037 0.004239
6.89192 4.41938 2.41726 0.040861 0.060433 0.124762
10.22536 4.35381 4.16682 0.117242 0.003149 -0.042300
7.19238 2.15284 8.75827 0.040414 0.001325 -0.050404
10.67141 2.29852 15.08728 0.284383 -0.049708 0.102088
7.24075 4.59797 11.01224 0.166126 0.006029 -0.092505
10.30176 4.56419 12.61212 0.139428 -0.018621 0.030917
6.40057 6.85176 0.36515 0.083098 0.076612 0.060165
9.75325 6.62606 6.90745 0.037924 -0.007954 -0.004365
6.24007 9.67823 1.67645 0.033425 0.016961 0.028490
6.65558 7.06042 8.79421 0.009283 0.029916 -0.045179
11.80692 6.94639 14.05727 0.060880 -0.018971 0.028782
6.39955 9.97659 10.34026 0.022461 0.003554 -0.007529
11.03265 10.16848 13.84914 0.041080 -0.008911 -0.006612
6.77345 12.10505 16.99256 0.085416 -0.038656 -0.003175
10.32223 13.09442 6.99099 0.064052 0.013287 0.007510
10.59365 15.96480 4.77521 0.081567 0.026950 -0.025364
6.94250 12.79247 7.88185 0.051338 -0.002301 -0.003331
10.18654 12.31147 16.08279 0.108484 0.006636 0.004802
7.13888 17.01345 11.20310 0.123497 0.004568 -0.020089
10.37682 0.23169 12.64835 0.148891 -0.009392 0.015260
13.24904 1.54346 17.14370 0.712195 0.007544 -0.257819
15.89410 1.64185 6.44545 -0.032092 0.017178 -0.019564
12.98857 4.28042 2.14546 0.104952 -0.123458 -0.103414
15.96785 4.32998 4.48967 0.014161 -0.017512 -0.107291
13.27097 1.52537 8.57426 0.035552 -0.001844 0.077901
16.03461 1.53130 15.21659 1.592840 -0.749347 1.319792
13.37701 3.97590 10.80799 0.101951 -0.049060 0.114362
16.23421 4.17555 13.11475 -0.131374 -0.508493 0.415645
13.12188 6.75851 16.83328 0.048466 -0.062412 0.039608
16.15350 6.82329 6.57280 -0.026170 -0.045633 -0.030015
13.80451 11.28726 3.11364 -0.001071 0.017946 -0.035057
16.01530 9.31599 4.57229 -0.028726 -0.013715 0.003490
16.24774 6.95131 14.97400 -0.070359 -0.128660 -0.073015
13.37358 11.10317 11.33384 0.017127 0.015403 0.002904
16.26481 10.28310 12.82929 -0.015667 0.009324 0.046818
13.02958 12.87265 0.34345 0.052348 0.082597 -0.008228
15.63587 13.81058 6.90598 -0.029004 -0.011160 0.023601
13.11026 15.86276 1.91698 0.042749 0.136919 -0.172795
16.04847 15.98249 4.25314 -0.239803 0.098664 0.075415
12.92950 13.50280 9.01948 0.009182 0.029487 0.051998
16.03470 13.24150 15.21399 -0.081418 0.205458 -0.105268
13.00717 16.52927 10.76204 0.144465 -0.038174 0.084290
15.92967 15.85673 13.13419 -0.107268 0.487923 0.297772
1.86054 17.36365 1.29865 3.384396 0.101481 -0.213093
4.17830 2.73136 5.21241 0.016494 -0.014765 -0.011753
3.26426 5.75851 5.24301 0.027721 0.008689 0.023641
17.49829 1.67854 7.58538 0.025593 0.005901 0.011739
1.16532 17.05709 10.27678 0.048144 0.003340 -0.004535
3.43296 5.28736 14.40974 0.025036 -0.135290 -0.000487
5.78979 4.58179 12.35127 -0.075463 -0.063954 0.067875
2.66622 1.96025 16.18884 5.223768 1.559702 -2.020722
17.32027 0.89679 16.51550 7.907399 1.422331 2.527694
0.46199 8.18893 0.93413 0.037479 0.020214 -0.005265
5.39231 10.11127 3.40660 0.004780 0.000630 -0.003086
2.32066 9.80687 3.44943 0.021676 0.011973 0.007230
4.91964 7.92130 14.71679 0.000516 -0.045168 -0.028731
2.68710 7.23238 16.69438 0.047785 -0.020098 -0.040009
0.01020 10.88204 2.02154 0.010378 0.005127 0.001177
4.21835 0.28129 6.98759 0.009400 -0.003179 -0.006005
17.23783 13.81793 8.03064 0.019541 -0.003996 -0.000569
4.79582 14.66186 14.12172 -0.004289 0.078205 0.021964
1.82404 14.00413 10.26937 0.036509 0.010854 0.004242
5.26768 16.92854 11.79676 -0.047456 0.033592 0.071611
10.96027 2.96124 5.34122 -0.019749 -0.002866 0.006848
6.97457 3.04582 1.08259 -0.060984 -0.031875 -0.024666
10.16898 6.05361 5.08582 -0.018201 0.003102 0.006012
8.34039 4.05066 3.68939 -0.036451 -0.004710 -0.029122
8.74489 2.42632 7.55292 -0.022276 0.001026 0.013791
7.18775 0.35634 9.46384 -0.026255 -0.008085 0.017233
11.47395 4.04892 11.19556 -0.044783 0.018885 -0.011146
9.15080 2.77757 16.12393 -0.073214 0.003843 0.018707
7.98734 0.36277 0.04247 -0.026018 -0.006203 0.014257
8.09306 7.37877 7.53063 -0.007178 -0.000173 0.011874
5.20414 6.37683 7.73407 0.010530 -0.002549 0.009875
12.25313 11.32613 12.87115 -0.008736 -0.007513 0.005121
7.88582 9.71337 11.41294 -0.004291 0.001600 -0.004195
7.90588 7.26091 16.85699 -0.016446 -0.010035 -0.003410
11.07224 14.64349 6.08452 -0.012031 -0.002150 0.004563
9.97410 0.03402 5.82220 -0.013696 -0.001190 0.011608
11.77786 16.49122 3.26041 -0.027042 -0.024963 0.065342
6.65717 11.67689 9.40508 -0.004013 0.001474 0.002007
7.76961 15.24886 11.07941 -0.021982 0.001756 0.005396
8.52712 0.41686 12.29829 -0.044611 0.004407 -0.003477
13.11181 17.12784 0.26607 -0.085880 -0.066530 0.066895
13.20693 2.50512 1.34897 -0.072145 0.027955 0.086022
17.29335 3.71694 3.19979 0.035663 -0.030785 -0.082832
14.20035 4.69758 3.69278 0.000747 0.020138 0.022553
14.59997 3.56179 12.23787 -0.080890 0.053993 -0.117257
13.57708 5.48481 0.72232 -0.002505 0.035434 -0.008768
12.29749 8.18631 0.22048 -0.004474 0.016630 -0.009326
16.86596 10.59176 5.62457 0.010077 0.001557 0.000529
16.66958 8.43890 13.63905 0.010045 0.017688 -0.006574
16.67265 11.67449 14.15979 0.016333 -0.025422 0.004726
14.70756 7.45696 15.98014 0.008001 0.019265 -0.002512
16.06899 0.34084 4.92526 0.030483 -0.015404 0.011484
14.63768 15.41566 3.05858 0.045947 -0.035310 0.055042
12.21694 15.07373 9.87203 -0.020834 -0.001510 -0.028816
15.65466 0.14914 13.86557 -0.222895 -0.112229 -0.317606
14.35754 15.71932 11.91759 -0.026017 -0.065474 -0.089830
14.30081 12.83268 16.21967 -0.002755 -0.034764 0.013663
8.77223 10.39607 2.47225 0.017469 0.009495 0.005169
12.91187 8.54216 10.48161 0.005639 -0.000858 -0.000423
8.49467 15.82840 2.99445 0.025927 -0.012700 0.020964
1.32045 2.68577 1.08043 2.989076 -0.240767 -0.075175
5.44581 4.42337 3.31859 0.049372 -0.026771 -0.057159
2.71895 4.15019 2.95898 0.348460 0.101118 0.274207
2.89361 2.63574 7.84048 0.063843 -0.012810 -0.012215
3.72928 2.61904 13.46082 -0.232458 -0.546836 0.790282
1.12195 3.42722 9.72736 0.058445 0.009751 0.017400
2.69176 4.49808 11.70258 0.235913 -0.080811 0.190305
1.13271 5.33613 0.95032 0.036651 0.150670 -0.085296
4.03043 8.42197 5.67301 0.011952 0.016883 -0.009256
3.75157 11.03623 5.64253 0.008415 0.025241 -0.004326
2.52170 7.25791 7.75547 0.028662 0.000010 -0.006434
17.39856 7.13193 7.68295 0.040799 0.008440 0.026811
1.18188 6.06412 9.94036 0.048458 -0.012875 0.016082
1.18202 8.73358 9.65531 0.019566 -0.003387 -0.000512
3.91098 11.84592 13.59643 0.023155 0.042932 0.048105
5.12928 10.31683 11.41789 -0.002635 0.000720 0.015833
2.50977 10.51875 11.46580 0.051245 0.013198 0.021295
17.45087 6.59897 16.12377 0.106541 0.036074 0.042521
3.55980 13.67281 5.25157 -0.019418 0.056845 -0.096319
1.28803 14.62748 0.64715 0.113910 0.328840 0.347613
4.98905 14.24610 3.11864 -0.034944 0.029666 -0.011856
2.40264 15.06164 3.08512 -0.191583 0.364716 -0.235726
2.72172 12.72875 7.62075 0.041812 0.000952 -0.038838
1.06333 11.39589 9.35618 0.021491 0.005248 -0.005798
3.61212 17.43666 14.11103 -0.153815 0.747533 0.606362
2.61877 15.69429 12.36150 0.238904 0.092440 0.150995
2.80206 13.36593 15.83914 0.076826 0.027773 -0.006910
17.47316 13.58140 16.05649 0.180735 -0.064861 0.110528
9.77890 2.08644 1.42003 -0.112726 0.000342 -0.032214
11.39452 4.37239 2.86549 -0.124407 0.019787 0.079548
5.75314 2.47184 7.89843 -0.008188 -0.003217 0.005446
10.58974 3.42804 13.84178 -0.061870 0.022246 -0.016531
7.29963 3.26088 10.01774 -0.032603 0.026927 0.051847
10.61644 6.04073 13.30213 -0.041480 -0.009656 -0.013339
8.72282 4.57356 11.93667 -0.152096 0.004647 -0.033491
6.87268 5.85394 1.60201 -0.018694 -0.025617 -0.029069
10.69996 7.99849 7.09252 -0.010027 -0.001874 0.000422
5.73707 8.23825 1.01832 -0.006036 -0.039892 -0.026374
10.63831 11.82289 5.95914 -0.009833 -0.003124 -0.000616
12.27791 10.92294 3.59234 -0.008161 -0.004096 0.009279
7.82470 9.40720 2.06031 -0.025595 -0.007981 -0.011411
7.06519 5.95381 10.03323 -0.015065 -0.046490 0.062982
11.49637 8.56646 14.11248 -0.019918 0.024877 -0.004229
6.22218 8.54831 9.46647 -0.002964 -0.005973 0.007175
10.64255 10.88430 15.28736 -0.020844 0.007183 0.008114
5.27533 6.08183 16.89617 -0.053916 -0.083224 -0.056777
6.19392 10.87447 0.49133 -0.010998 0.007141 -0.008298
6.63594 13.50144 0.40946 -0.023376 0.030138 0.007142
9.20318 15.33527 4.12194 -0.053516 -0.003215 -0.024473
8.65369 12.87516 7.41323 -0.049327 -0.004839 0.010921
5.50203 12.61795 6.94111 -0.017396 0.005821 -0.018413
10.10713 13.64215 15.27789 -0.035927 -0.004339 0.001097
10.67911 0.87544 14.08625 -0.074865 -0.015606 -0.044519
11.60356 17.20368 11.75834 -0.105390 0.022334 0.016759
8.39118 11.91622 16.60701 -0.077736 0.001675 0.016760
5.50451 12.34914 15.80657 -0.026964 0.031890 -0.025190
15.73327 3.04046 5.55542 0.013966 -0.024610 0.030155
16.46394 5.60663 5.46979 0.015284 0.042500 0.047955
14.52808 1.45286 7.47168 0.020771 -0.001326 -0.018331
11.79275 1.56088 7.78873 -0.052548 0.003272 -0.035678
13.32704 0.21681 9.64565 -0.019470 0.025305 -0.052272
16.41790 2.90736 14.26355 -0.047888 0.769751 -0.790003
13.45171 2.82808 9.57211 -0.024704 -0.016960 -0.056924
16.10069 5.57752 13.99343 0.032104 0.213884 0.033346
0.00005 4.40711 11.99025 0.240970 0.078860 -0.171329
14.62884 1.73967 16.17160 -0.929681 0.065693 0.212481
11.98368 2.03831 16.06725 -0.340648 0.071559 -0.131370
15.63239 8.11986 5.68103 0.012318 0.021535 -0.004755
17.11138 8.55854 3.60414 0.030141 0.013682 -0.011697
14.79559 9.98222 3.60061 0.020837 -0.007028 0.010691
14.83832 6.40254 7.47085 0.013368 0.010743 -0.000960
10.26118 5.42988 7.96507 -0.013726 0.005597 -0.004907
13.84142 5.42996 10.14226 -0.015115 0.033093 -0.030850
12.90067 9.94534 10.26834 -0.001264 -0.001276 -0.004630
17.40760 10.25314 11.57387 0.050502 -0.001039 -0.042492
14.84553 10.65634 12.01294 0.001210 -0.004508 -0.008584
12.09160 6.31793 15.56215 -0.028992 0.019891 -0.029180
13.66330 11.76838 1.50243 0.010348 -0.030462 0.036480
15.90808 14.97969 5.66759 0.041809 0.002383 -0.020816
12.90234 14.38066 1.10662 -0.009094 -0.088310 0.013809
17.39979 15.79595 3.12260 0.528273 0.053240 -0.348951
14.24465 13.87010 7.98683 0.030417 -0.003297 -0.029365
11.50975 12.98027 8.22780 -0.026225 -0.015043 -0.023841
13.37751 12.44417 10.26044 -0.002015 -0.013917 -0.010474
15.76289 14.59733 14.23402 0.009519 -0.252006 0.045466
17.35248 15.55367 12.27553 0.259578 -0.096671 -0.192284
11.51892 12.39014 17.28946 -0.059722 -0.017915 -0.022045
2.14782 0.44560 2.19550 0.294815 -0.263118 0.337676
3.29477 2.11300 4.94555 -0.004741 0.006716 0.007302
2.45654 5.15830 5.71352 0.004015 -0.000309 -0.002993
17.13665 1.28635 8.55333 0.003148 0.001304 0.001602
2.05496 17.16622 9.63831 0.006517 0.004419 -0.012506
2.76007 4.61458 14.97268 -0.060358 0.081530 -0.006250
5.82104 5.64963 12.65472 -0.015782 -0.007383 0.004239
1.99867 2.73895 15.76239 -0.379825 -0.598450 0.610726
16.62702 0.41219 17.23014 0.948668 0.542278 0.627017
0.53299 8.97932 0.15968 -0.001793 0.006459 0.000490
6.28070 9.99466 4.05905 0.004626 0.000986 -0.002276
2.80484 10.34140 2.60493 0.005254 -0.000768 -0.003141
5.85876 7.59725 14.24081 0.008191 0.008198 -0.002470
2.33378 8.07412 16.06384 0.005137 -0.007205 -0.002635
0.72196 11.42800 1.39191 0.002348 -0.001224 -0.001673
4.17641 17.36384 8.00554 0.000895 -0.001256 -0.003009
0.17664 14.81238 7.80592 0.002442 0.001994 0.002681
5.28314 15.15948 14.98492 0.030577 -0.015711 0.007702
1.99589 13.21868 11.02572 0.000522 -0.001948 0.000146
4.90269 16.46159 10.85427 -0.013153 0.001450 0.027757
11.44760 2.27402 4.62061 0.002282 0.003180 0.000100
6.42001 2.18281 1.50214 0.014782 -0.010528 0.028336
11.20298 6.44871 5.00937 0.001587 -0.005863 -0.001567
8.23943 2.94593 3.71752 0.006459 -0.004221 0.004347
9.07830 3.43667 7.86385 0.004467 0.000734 0.001527
8.13841 17.45818 9.05432 0.001399 0.000579 0.009106
11.09062 4.59939 10.31069 -0.004295 -0.001479 -0.000363
8.29143 2.75175 15.42638 -0.002682 0.010719 -0.007838
8.82941 17.22992 17.22214 -0.003968 0.007959 -0.000411
7.50840 7.62286 6.62087 0.001938 -0.000497 0.001403
4.60511 5.74329 8.41778 0.000173 -0.000211 -0.003050
12.92668 11.75537 13.63632 0.003288 0.000653 -0.001046
8.02117 10.55523 12.10517 0.006480 -0.001579 0.000092
8.67556 7.71636 17.49570 0.000687 -0.002386 -0.000068
11.47875 15.24589 6.91703 0.002343 -0.001238 0.001055
9.35972 16.97903 6.56192 0.000038 0.001296 0.003506
11.03713 17.07922 2.67792 0.013480 -0.000854 -0.005426
7.42775 12.08916 10.09180 0.005417 -0.001278 -0.001489
7.92017 14.83580 12.09082 0.008633 -0.001970 -0.000233
8.50905 1.48718 11.99359 0.004116 -0.003618 0.001702
13.83892 16.58967 17.12637 0.024333 0.046511 0.024521
14.18064 2.16404 1.76300 0.006040 0.006538 -0.046152
0.22637 2.85420 3.74771 -0.000703 -0.000265 -0.008446
13.55731 4.46328 4.56374 0.001665 0.003927 0.007164
13.93368 3.48067 13.12140 0.027449 -0.001800 0.004514
14.29477 4.78199 0.25086 -0.004467 -0.008533 0.003738
12.05112 9.01860 17.04503 0.003572 0.004408 0.002869
16.27694 10.80430 6.52497 0.003823 0.000280 -0.000962
16.72250 7.84092 12.70809 0.000148 -0.005265 0.003809
0.08131 12.14367 13.72814 0.000143 0.004758 -0.001280
15.18747 8.06134 16.77823 -0.001864 0.005028 0.002712
15.33129 0.80027 4.23469 0.021346 -0.011033 -0.007309
15.22283 14.74953 2.39790 -0.005170 0.001430 -0.016359
11.52991 14.60593 10.60396 0.005846 -0.002004 0.001147
14.54913 0.08259 13.94141 -0.048150 -0.040309 -0.090621
13.64918 15.17179 12.57877 0.001237 -0.000435 0.000985
14.26990 11.73639 16.04700 -0.003176 -0.007472 -0.000904
2.83011 17.00291 0.89614 0.847667 -1.058706 1.097349
5.01762 2.19884 4.72481 0.015700 -0.003496 0.006504
2.72197 6.40768 4.52960 0.006027 -0.006901 -0.001329
0.61592 0.85326 7.17988 0.003535 -0.001493 0.000453
1.05804 0.47662 10.87149 -0.010601 -0.005284 0.001046
2.72869 6.02833 13.97220 -0.002532 -0.041786 0.016956
6.27365 4.07474 13.21275 0.028378 0.010781 0.005605
3.39789 2.54642 16.78232 0.844662 0.741450 -0.796606
0.26647 0.03376 15.97352 -0.485834 -0.333980 -0.444175
16.86896 8.04953 1.06168 0.011384 -0.008442 -0.003501
5.26691 11.21282 3.35522 0.006478 -0.001110 -0.000253
1.79651 10.63408 3.97172 0.001373 -0.002344 0.002789
4.24367 8.25477 13.91418 0.004173 0.004486 -0.000763
3.20146 7.72932 0.04071 0.013021 -0.007758 -0.006409
17.29565 11.52683 2.88643 0.000760 -0.000072 0.001260
5.09458 17.34903 6.48077 0.007459 -0.000913 0.002346
16.80060 13.95067 9.04167 0.004172 0.000312 -0.000082
5.65314 14.35380 13.49055 -0.000580 0.018744 -0.002242
2.85103 14.37043 10.06567 0.013603 -0.008112 -0.007379
4.88020 0.46410 11.72901 0.003469 0.004184 -0.028551
11.82432 3.49932 5.78478 -0.000212 0.000969 -0.002970
6.33916 3.40343 0.25044 0.015758 0.027447 -0.016422
9.59394 6.71839 4.41200 0.005467 0.002855 -0.000503
7.91802 4.38505 4.66043 -0.003872 -0.000854 -0.007425
8.23543 2.62518 6.58554 0.001629 0.000193 0.002520
6.41431 17.32071 8.88054 0.004105 -0.000027 -0.005843
11.14557 3.00954 10.98712 0.005858 -0.003748 -0.000113
9.36027 3.86210 16.23230 0.003276 -0.004381 0.001792
7.53966 17.41529 0.94072 0.009854 -0.008769 0.008056
8.48774 8.36338 7.84778 0.004415 -0.000510 0.000693
5.72768 5.64505 7.08615 0.004941 0.000653 0.000957
11.53162 12.14308 12.66419 0.006642 0.002783 -0.000775
7.77778 8.79967 12.01567 0.007005 0.000180 0.000708
7.67148 7.97660 16.05599 0.007105 0.001412 -0.000168
11.96712 14.11387 5.69832 0.000890 0.000959 -0.002048
9.20674 0.45352 5.13285 0.001899 0.001044 -0.001491
12.42086 17.27854 3.71166 0.000583 -0.000862 -0.004660
5.72984 12.20671 9.71226 0.002314 -0.000340 0.000875
7.06651 14.59485 10.54611 0.004528 -0.004188 -0.002104
8.18003 0.43236 13.34917 0.010786 -0.000142 -0.001890
12.13433 16.79403 17.35819 -0.013180 -0.018694 0.010037
12.47800 1.85419 1.86970 -0.000854 0.012178 0.024058
16.61133 3.22326 2.47663 0.044596 -0.038255 -0.030571
14.18380 5.80672 3.64923 0.005654 0.004042 0.007858
14.87276 2.50739 12.03337 0.012923 0.006888 0.021081
14.23243 6.19147 1.27631 0.005584 0.006728 0.000458
12.93327 8.58137 1.02753 0.003313 -0.001613 -0.001165
0.31818 10.15222 5.96061 0.004039 -0.000763 0.001631
0.23893 8.66414 13.84372 0.007490 0.007492 -0.001421
17.08408 11.06555 14.99139 0.006306 -0.010707 -0.003265
14.24371 8.22849 15.33189 0.008196 0.006647 -0.000591
17.03243 0.72423 4.52831 -0.009712 0.015133 -0.011350
14.06257 14.70897 3.69175 0.021880 -0.007703 0.012998
11.55248 15.52990 9.11606 -0.003817 -0.005462 -0.006836
15.79992 0.71375 12.92180 -0.047991 -0.020816 -0.094989
14.66771 14.92743 11.20480 -0.027420 -0.018304 -0.022423
13.59723 13.22883 15.45681 0.013650 0.008037 0.001775
0.28893 16.96969 9.61776 0.006252 -0.002401 0.011151
5.14861 8.79609 15.34428 -0.003200 -0.012916 0.006723
16.57887 10.76457 1.44815 0.006331 0.000872 0.001760
3.32280 17.43531 6.45000 0.000045 0.000808 0.005902
7.22345 0.33037 16.74849 0.011712 -0.011400 -0.016578
8.80270 9.61454 10.81195 0.003178 0.000027 0.002753
8.32656 6.35754 16.39008 0.009801 0.002663 -0.000459
8.73549 15.20213 10.55252 -0.000560 0.006235 0.004256
11.35757 7.84337 0.68199 0.004534 -0.002321 0.002102
17.07689 11.54135 5.11708 0.002079 0.001731 0.000368
1.05898 4.30352 7.32607 0.011264 0.001155 0.002657
4.03509 12.56543 11.20951 0.007806 0.002513 0.005333
2.98241 12.61908 2.99845 -0.011522 0.029837 -0.005221
13.02951 6.77394 13.23542 -0.004965 0.002974 -0.001585
9.81405 10.04557 13.02717 -0.002909 0.000263 0.000826
14.38062 12.44509 3.83928 0.004410 -0.002147 0.003444
15.29130 12.60070 6.14349 0.007712 0.000485 -0.001146
1.51212 12.17674 0.04632 0.023355 0.022588 0.022396
5.20365 1.54821 15.21091 -0.182739 0.012170 0.087576
6.79297 14.20253 8.32851 -0.000869 0.001908 0.001886
11.61515 7.96197 6.76612 0.005328 -0.000230 0.001306
10.25461 10.96603 6.21744 0.008212 -0.000774 0.000653
11.90891 11.26603 4.43245 0.009014 -0.000245 -0.002888
8.53540 10.78259 3.48001 0.003255 -0.001764 -0.000525
9.76681 9.93079 2.50215 0.001915 0.002009 -0.000745
8.80784 11.23977 1.76494 0.005043 -0.002144 -0.000115
14.97448 6.01037 8.35394 -0.002457 -0.004055 0.007342
10.93413 4.83383 7.59381 0.008646 -0.000154 0.002864
13.14865 5.92816 9.67432 0.007163 0.000074 -0.002249
12.65000 8.06887 9.52187 0.004958 -0.000748 0.000734
13.90414 8.18239 10.79823 0.001200 -0.001478 0.000417
12.16474 8.24325 11.23577 0.005005 -0.000916 0.001323
5.27827 14.04824 2.20496 0.018371 -0.013821 -0.003498
10.20084 2.92381 1.69633 0.037592 0.005058 0.002407
7.46833 14.00510 0.41146 0.015562 -0.009051 0.002360
7.48179 15.39929 3.01468 0.000405 -0.003853 0.001674
8.41010 16.93048 3.00754 0.006242 0.006080 0.000594
8.99741 15.53505 2.05618 0.006107 0.001022 -0.001491
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 1 DIRECTION 1 : 2.351 -0.041 0.077
rigid augmentation : 0.204 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -1.853 -0.041 0.077
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 2/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 5( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258999; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258905; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01042322
-V(xc)+E(xc) XCENC = 0.02055689
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03071699
---------------------------------------------------
free energy TOTEN = -0.02058332 eV
energy without entropy = -0.02058332
----------------------------------------- Iteration 5( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258999; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258905; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.92236E+00 rms(broyden)= 0.92179E+00
rms(prec ) = 0.98804E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01042322
-V(xc)+E(xc) XCENC = 0.02055689
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01239053
---------------------------------------------------
free energy TOTEN = -0.00225686 eV
energy without entropy = -0.00225686
----------------------------------------- Iteration 5( 3) ---------------------------------------
BZINTS: Fermi energy: 0.259016; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258888; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56377E+00 rms(broyden)= 0.56372E+00
rms(prec ) = 0.60736E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4650
2.4650
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00972785
-V(xc)+E(xc) XCENC = 0.01799385
PAW double counting = 0.02124446 -0.02124603
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01234716
---------------------------------------------------
free energy TOTEN = -0.00408273 eV
energy without entropy = -0.00408273
----------------------------------------- Iteration 5( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259038; 1190.000000 electrons
Band energy:-0.912027E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258425; 1190.000000 electrons
Band energy:-0.912001E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.99009E-01 rms(broyden)= 0.98884E-01
rms(prec ) = 0.12396E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0202
1.6392 2.4013
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00901449
-V(xc)+E(xc) XCENC = 0.01625320
PAW double counting = 0.13539459 -0.13540275
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01250972
---------------------------------------------------
free energy TOTEN = -0.00527917 eV
energy without entropy = -0.00527917
----------------------------------------- Iteration 5( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259041; 1190.000000 electrons
Band energy:-0.912028E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258409; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.47247E-01 rms(broyden)= 0.47224E-01
rms(prec ) = 0.63139E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7324
2.5631 1.8534 0.7806
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00875189
-V(xc)+E(xc) XCENC = 0.01595007
PAW double counting = 0.14322189 -0.14322903
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01270587
---------------------------------------------------
free energy TOTEN = -0.00551484 eV
energy without entropy = -0.00551484
----------------------------------------- Iteration 5( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259040; 1190.000000 electrons
Band energy:-0.912028E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258409; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.26089E-01 rms(broyden)= 0.26081E-01
rms(prec ) = 0.37856E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7433
2.6608 2.2593 1.0265 1.0265
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00871408
-V(xc)+E(xc) XCENC = 0.01593827
PAW double counting = 0.14738137 -0.14738864
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273112
---------------------------------------------------
free energy TOTEN = -0.00551420 eV
energy without entropy = -0.00551420
----------------------------------------- Iteration 5( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259039; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258384; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11360E-01 rms(broyden)= 0.11351E-01
rms(prec ) = 0.18815E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8050
3.0871 2.4517 1.5716 0.9573 0.9573
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00870694
-V(xc)+E(xc) XCENC = 0.01599213
PAW double counting = 0.14629190 -0.14629911
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273402
---------------------------------------------------
free energy TOTEN = -0.00545604 eV
energy without entropy = -0.00545604
----------------------------------------- Iteration 5( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259038; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258384; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53405E-02 rms(broyden)= 0.53350E-02
rms(prec ) = 0.88560E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8430
3.5659 2.4651 1.8747 1.2111 0.9707 0.9707
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00869892
-V(xc)+E(xc) XCENC = 0.01604170
PAW double counting = 0.14533663 -0.14534378
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273891
---------------------------------------------------
free energy TOTEN = -0.00540328 eV
energy without entropy = -0.00540328
----------------------------------------- Iteration 5( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259037; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258385; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28023E-02 rms(broyden)= 0.27982E-02
rms(prec ) = 0.41658E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9932
4.2529 2.5543 2.4941 1.5560 1.0359 1.0297 1.0297
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00869251
-V(xc)+E(xc) XCENC = 0.01605807
PAW double counting = 0.14505712 -0.14506427
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01274064
---------------------------------------------------
free energy TOTEN = -0.00538223 eV
energy without entropy = -0.00538223
----------------------------------------- Iteration 5( 10) ---------------------------------------
BZINTS: Fermi energy: 0.259036; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258386; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.91931E-03 rms(broyden)= 0.91604E-03
rms(prec ) = 0.14063E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9564
4.6634 2.8232 2.4217 1.7281 1.1257 1.0019 1.0019 0.8853
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00869144
-V(xc)+E(xc) XCENC = 0.01605968
PAW double counting = 0.14511252 -0.14511971
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273767
---------------------------------------------------
free energy TOTEN = -0.00537662 eV
energy without entropy = -0.00537662
----------------------------------------- Iteration 5( 11) ---------------------------------------
BZINTS: Fermi energy: 0.259036; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258386; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53391E-03 rms(broyden)= 0.53312E-03
rms(prec ) = 0.82176E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9775
4.8448 2.9840 2.4026 2.0953 1.5583 1.0530 1.0530 0.9815 0.8250
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00869065
-V(xc)+E(xc) XCENC = 0.01605824
PAW double counting = 0.14513238 -0.14513956
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273604
---------------------------------------------------
free energy TOTEN = -0.00537563 eV
energy without entropy = -0.00537563
----------------------------------------- Iteration 5( 12) ---------------------------------------
BZINTS: Fermi energy: 0.259036; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258387; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.22104E-03 rms(broyden)= 0.22067E-03
rms(prec ) = 0.35977E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9771
4.9857 3.2873 2.5779 2.2644 1.6985 1.0494 1.0494 1.0523 0.9689 0.8368
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00869050
-V(xc)+E(xc) XCENC = 0.01605694
PAW double counting = 0.14515062 -0.14515777
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273563
---------------------------------------------------
free energy TOTEN = -0.00537635 eV
energy without entropy = -0.00537635
----------------------------------------- Iteration 5( 13) ---------------------------------------
BZINTS: Fermi energy: 0.259036; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258387; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11737E-03 rms(broyden)= 0.11721E-03
rms(prec ) = 0.18332E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0014
5.2052 3.6306 2.7049 2.3692 1.8382 1.4400 1.0355 1.0355 1.0253 0.8888
0.8420
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00869072
-V(xc)+E(xc) XCENC = 0.01605670
PAW double counting = 0.14515998 -0.14516715
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273619
---------------------------------------------------
free energy TOTEN = -0.00537737 eV
energy without entropy = -0.00537737
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0581 0.00000
5 -0.0816 0.00000
6 -0.0227 0.00000
7 0.0315 0.00000
8 0.0014 0.00000
9 -0.1002 0.00000
10 0.0427 0.00000
11 -0.0342 0.00000
12 0.2549 0.00000
13 -0.0063 0.00000
14 0.0679 0.00000
15 -0.0631 0.00000
16 0.0373 0.00000
17 0.0641 0.00000
18 -0.0114 0.00000
19 0.1942 0.00000
20 0.0109 0.00000
21 -0.0540 0.00000
22 0.0104 0.00000
23 -0.0419 0.00000
24 0.1545 0.00000
25 -0.1550 0.00000
26 -0.8138 0.00000
27 -0.8990 0.00000
28 -0.0041 0.00000
29 0.0026 0.00000
30 -0.8270 0.00000
31 0.1125 0.00000
32 0.0482 0.00000
33 -0.0209 0.00000
34 -0.0527 0.00000
35 0.0127 0.00000
36 0.1526 0.00000
37 0.0338 0.00000
38 0.0510 0.00000
39 0.1295 0.00000
40 -0.0274 0.00000
41 -0.0031 0.00000
42 0.0312 0.00000
43 -0.0916 0.00000
44 -0.3718 0.00000
45 -0.0192 0.00000
46 -0.0756 0.00000
47 -0.0442 0.00000
48 0.0521 0.00000
49 0.0005 0.00000
50 -0.1912 0.00000
51 -0.0022 0.00000
52 -0.0325 0.00000
53 0.0401 0.00000
54 0.0699 0.00000
55 -0.1683 0.00000
56 -0.3175 0.00000
57 -0.1073 0.00000
58 -0.0495 0.00000
59 0.0111 0.00000
60 -0.5311 0.00000
61 -0.1293 0.00000
62 -1.3775 0.00000
63 -0.1921 0.00000
64 -0.2323 0.00000
65 -0.0889 0.00000
66 -0.5645 0.00000
67 -0.1712 0.00000
68 -0.0300 0.00000
69 0.0946 0.00000
70 0.1096 0.00000
71 -0.1689 0.00000
72 -0.0256 0.00000
73 0.0550 0.00000
74 0.0386 0.00000
75 0.0545 0.00000
76 0.3254 0.00000
77 0.2104 0.00000
78 -0.1071 0.00000
79 -0.5606 0.00000
80 -0.0084 0.00000
81 -0.4885 0.00000
82 0.6152 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1106 0.00000
90 -0.0265 0.00000
91 -0.0198 0.00000
92 -0.0007 0.00000
93 -0.0477 0.00000
94 -0.1542 0.00000
95 0.2795 0.00000
96 0.3333 0.00000
97 -0.0378 0.00000
98 0.0050 0.00000
99 -0.0075 0.00000
100 -0.1070 0.00000
101 -0.0463 0.00000
102 0.0066 0.00000
103 -0.0205 0.00000
104 0.1013 0.00000
105 0.0177 0.00000
106 -0.0740 0.00000
107 -0.0165 0.00000
108 -0.3816 0.00000
109 0.0158 0.00000
110 -0.0170 0.00000
111 -0.0619 0.00000
112 0.0112 0.00000
113 0.0440 0.00000
114 -0.0469 0.00000
115 -0.0864 0.00000
116 -0.0568 0.00000
117 -0.0941 0.00000
118 0.0581 0.00000
119 -0.0079 0.00000
120 0.0300 0.00000
121 0.0081 0.00000
122 -0.0490 0.00000
123 0.3613 0.00000
124 0.6698 0.00000
125 0.1680 0.00000
126 -0.0742 0.00000
127 -0.0626 0.00000
128 -0.0017 0.00000
129 0.8645 0.00000
130 0.1044 0.00000
131 0.1429 0.00000
132 -0.0676 0.00000
133 -0.0866 0.00000
134 -0.0299 0.00000
135 -0.0014 0.00000
136 -0.0545 0.00000
137 -0.1415 0.00000
138 -0.1413 0.00000
139 0.0532 0.00000
140 0.0141 0.00000
141 -0.0084 0.00000
142 -0.0923 0.00000
143 0.0304 0.00000
144 0.0078 0.00000
145 -0.0552 0.00000
146 -0.0994 0.00000
147 -0.0230 0.00000
148 0.0058 0.00000
149 -0.0446 0.00000
150 0.0026 0.00000
151 0.1040 0.00000
152 0.0617 0.00000
153 0.0780 0.00000
154 0.0613 0.00000
155 -0.0795 0.00000
156 -0.0327 0.00000
157 0.0298 0.00000
158 -0.7660 0.00000
159 -0.0236 0.00000
160 -0.1347 0.00000
161 0.0569 0.00000
162 -0.0403 0.00000
163 -0.0565 0.00000
164 -0.0399 0.00000
165 -0.0085 0.00000
166 -0.1250 0.00000
167 0.0732 0.00000
168 -0.0882 0.00000
169 -0.0452 0.00000
170 0.0401 0.00000
171 -0.0741 0.00000
172 0.0916 0.00000
173 -0.0813 0.00000
174 -0.1667 0.00000
175 -0.0359 0.00000
176 -0.0309 0.00000
177 -0.0866 0.00000
178 -0.0028 0.00000
179 -0.0080 0.00000
180 -0.0237 0.00000
181 -0.0431 0.00000
182 -0.1107 0.00000
183 -0.0015 0.00000
184 -0.4327 0.00000
185 -0.0285 0.00000
186 0.0267 0.00000
187 -0.0086 0.00000
188 0.0296 0.00000
189 -0.1379 0.00000
190 0.0040 0.00000
191 -0.0622 0.00000
192 -0.0032 0.00000
193 -0.0965 0.00000
194 -0.0084 0.00000
195 -0.6515 0.00000
196 -0.1057 0.00000
197 -0.3490 0.00000
198 -0.0103 0.00000
199 -0.0274 0.00000
200 -0.0385 0.00000
201 0.0120 0.00000
202 -0.1666 0.00000
203 -0.1454 0.00000
204 -0.2251 0.00000
205 -0.0274 0.00000
206 -0.0575 0.00000
207 -0.0102 0.00000
208 0.0942 0.00000
209 0.0469 0.00000
210 0.0137 0.00000
211 0.0150 0.00000
212 -0.0887 0.00000
213 -0.0217 0.00000
214 0.0787 0.00000
215 0.2292 0.00000
216 -0.1209 0.00000
217 -0.0036 0.00000
218 -0.0833 0.00000
219 0.0796 0.00000
220 -0.0176 0.00000
221 0.0365 0.00000
222 0.1319 0.00000
223 -0.0275 0.00000
224 0.0832 0.00000
225 -0.1238 0.00000
226 -0.0823 0.00000
227 -0.0103 0.00000
228 0.0352 0.00000
229 -0.0523 0.00000
230 0.2889 0.00000
231 0.0006 0.00000
232 -0.0009 0.00000
233 -0.0289 0.00000
234 -0.0953 0.00000
235 -0.1686 0.00000
236 -0.0180 0.00000
237 0.0120 0.00000
238 -0.1732 0.00000
239 0.0468 0.00000
240 -0.0296 0.00000
241 -0.0392 0.00000
242 -0.0073 0.00000
243 -0.0853 0.00000
244 0.0365 0.00000
245 0.0557 0.00000
246 0.0499 0.00000
247 -0.0225 0.00000
248 -0.0240 0.00000
249 0.0171 0.00000
250 -0.0018 0.00000
251 -0.1071 0.00000
252 -0.1835 0.00000
253 0.0069 0.00000
254 -0.0345 0.00000
255 0.0600 0.00000
256 -0.0061 0.00000
257 0.0481 0.00000
258 -0.0138 0.00000
259 0.0727 0.00000
260 0.1440 0.00000
261 0.0811 0.00000
262 0.1808 0.00000
263 0.0332 0.00000
264 0.0706 0.00000
265 0.0275 0.00000
266 0.0329 0.00000
267 -0.0910 0.00000
268 -0.0046 0.00000
269 -0.0145 0.00000
270 0.0402 0.00000
271 -0.0589 0.00000
272 -0.0160 0.00000
273 0.0047 0.00000
274 -0.0094 0.00000
275 -0.1342 0.00000
276 0.0336 0.00000
277 -0.0011 0.00000
278 -0.0801 0.00000
279 0.0198 0.00000
280 0.0175 0.00000
281 -0.0311 0.00000
282 -0.0101 0.00000
283 -0.0157 0.00000
284 -0.0416 0.00000
285 -0.0096 0.00000
286 0.0070 0.00000
287 0.0410 0.00000
288 -0.0383 0.00000
289 0.0369 0.00000
290 0.0359 0.00000
291 -0.0347 0.00000
292 -0.0145 0.00000
293 -0.0129 0.00000
294 -0.0588 0.00000
295 0.0236 0.00000
296 -0.0426 0.00000
297 0.0063 0.00000
298 -0.0168 0.00000
299 -0.0036 0.00000
300 0.0560 0.00000
301 0.0188 0.00000
302 -0.0915 0.00000
303 0.0679 0.00000
304 0.0268 0.00000
305 0.0885 0.00000
306 0.1820 0.00000
307 -0.0363 0.00000
308 0.0660 0.00000
309 0.0660 0.00000
310 0.0247 0.00000
311 -0.0174 0.00000
312 0.1732 0.00000
313 -0.0322 0.00000
314 0.0488 0.00000
315 0.0646 0.00000
316 -0.0350 0.00000
317 0.0128 0.00000
318 -0.0218 0.00000
319 0.0470 0.00000
320 -0.1399 0.00000
321 -0.0192 0.00000
322 0.0200 0.00000
323 -0.0555 0.00000
324 -0.0358 0.00000
325 -0.0929 0.00000
326 -0.0087 0.00000
327 0.0055 0.00000
328 -0.1318 0.00000
329 0.0582 0.00000
330 -0.0549 0.00000
331 -0.0139 0.00000
332 -0.0425 0.00000
333 0.0512 0.00000
334 -0.0224 0.00000
335 -0.0738 0.00000
336 -0.0580 0.00000
337 -0.0102 0.00000
338 -0.0127 0.00000
339 -0.0635 0.00000
340 0.0075 0.00000
341 0.0090 0.00000
342 -0.0828 0.00000
343 0.0468 0.00000
344 -0.0262 0.00000
345 0.0077 0.00000
346 0.0027 0.00000
347 -0.0477 0.00000
348 -0.0850 0.00000
349 -0.0253 0.00000
350 -0.0326 0.00000
351 -0.0218 0.00000
352 -0.0342 0.00000
353 -0.0767 0.00000
354 0.1330 0.00000
355 0.0239 0.00000
356 -0.0628 0.00000
357 0.0712 0.00000
358 -0.0031 0.00000
359 -0.0417 0.00000
360 -0.0145 0.00000
361 -0.0272 0.00000
362 -0.0449 0.00000
363 -0.0693 0.00000
364 0.0777 0.00000
365 -0.0522 0.00000
366 -0.0529 0.00000
367 -0.0840 0.00000
368 -0.0770 0.00000
369 0.0396 0.00000
370 -0.0499 0.00000
371 -0.0133 0.00000
372 -0.0349 0.00000
373 -0.0207 0.00000
374 -0.0757 0.00000
375 0.0050 0.00000
376 0.0068 0.00000
377 -0.0535 0.00000
378 -0.0741 0.00000
379 -0.0815 0.00000
380 0.0393 0.00000
381 -0.1212 0.00000
382 -0.0539 0.00000
383 -0.1176 0.00000
384 0.0665 0.00000
385 -0.0374 0.00000
386 -0.0595 0.00000
387 -0.0773 0.00000
388 -0.0459 0.00000
389 -0.0785 0.00000
390 -0.0104 0.00000
391 -0.0140 0.00000
392 -0.0863 0.00000
393 -0.0281 0.00000
394 -0.0006 0.00000
395 -0.0906 0.00000
396 -0.0114 0.00000
397 -0.0745 0.00000
398 -0.0392 0.00000
399 -0.0655 0.00000
400 -0.0999 0.00000
401 -0.0542 0.00000
402 -0.0112 0.00000
403 0.0080 0.00000
404 -0.1034 0.00000
405 -0.0721 0.00000
406 0.0034 0.00000
407 -0.0469 0.00000
408 -0.0706 0.00000
409 -0.1883 0.00000
410 0.0646 0.00000
411 -0.1713 0.00000
412 -0.0536 0.00000
413 -0.0609 0.00000
414 -0.1197 0.00000
415 -0.0439 0.00000
416 -0.1364 0.00000
417 0.1549 0.00000
418 -0.1302 0.00000
419 -0.1129 0.00000
420 0.0685 0.00000
421 -0.0397 0.00000
422 0.0176 0.00000
423 -0.1271 0.00000
424 0.0103 0.00000
425 -0.0039 0.00000
426 0.0431 0.00000
427 -0.1296 0.00000
428 -0.0187 0.00000
429 -0.0730 0.00000
430 -0.0384 0.00000
431 -0.0158 0.00000
432 0.0930 0.00000
433 -0.0164 0.00000
434 -0.1322 0.00000
435 -0.0256 0.00000
436 -0.0174 0.00000
437 -0.0968 0.00000
438 0.1083 0.00000
439 -0.0539 0.00000
440 0.0153 0.00000
441 -0.0636 0.00000
442 -0.0156 0.00000
443 -0.0328 0.00000
444 -0.1326 0.00000
445 -0.0263 0.00000
446 -0.1093 0.00000
447 -0.0131 0.00000
448 -0.1022 0.00000
449 0.0043 0.00000
450 -0.1275 0.00000
451 -0.0298 0.00000
452 -0.1347 0.00000
453 -0.0976 0.00000
454 -0.0089 0.00000
455 -0.0931 0.00000
456 -0.0409 0.00000
457 -0.0543 0.00000
458 0.0303 0.00000
459 -0.2073 0.00000
460 -0.1231 0.00000
461 0.0192 0.00000
462 -0.0425 0.00000
463 -0.0148 0.00000
464 -0.0180 0.00000
465 -0.0520 0.00000
466 -0.0062 0.00000
467 -0.0056 0.00000
468 -0.1109 0.00000
469 -0.0514 0.00000
470 -0.0221 0.00000
471 0.0075 0.00000
472 -0.0936 0.00000
473 -0.0283 0.00000
474 -0.0909 0.00000
475 -0.0068 0.00000
476 -0.0345 0.00000
477 0.0383 0.00000
478 -0.0260 0.00000
479 -0.0143 0.00000
480 0.0902 0.00000
481 0.0033 0.00000
482 0.0257 0.00000
483 -0.0593 0.00000
484 -0.0614 0.00000
485 -0.0083 0.00000
486 0.0918 0.00000
487 0.0868 0.00000
488 0.0237 0.00000
489 -0.0294 0.00000
490 -0.0399 0.00000
491 0.0671 0.00000
492 -0.0604 0.00000
493 0.1351 0.00000
494 0.0144 0.00000
495 0.0433 0.00000
496 0.0356 0.00000
497 0.0054 0.00000
498 -0.0124 0.00000
499 -0.0065 0.00000
500 0.0043 0.00000
501 -0.0178 0.00000
502 0.0800 0.00000
503 -0.0094 0.00000
504 0.0653 0.00000
505 0.0511 0.00000
506 -0.0373 0.00000
507 0.0860 0.00000
508 -0.0283 0.00000
509 0.0431 0.00000
510 0.1666 0.00000
511 -0.0142 0.00000
512 -0.0431 0.00000
513 -0.0388 0.00000
514 -0.0493 0.00000
515 -0.0900 0.00000
516 0.0751 0.00000
517 -0.0083 0.00000
518 -0.0543 0.00000
519 -0.0274 0.00000
520 0.0284 0.00000
521 -0.0080 0.00000
522 0.0168 0.00000
523 -0.0492 0.00000
524 0.0511 0.00000
525 0.0176 0.00000
526 -0.1325 0.00000
527 -0.0690 0.00000
528 0.0987 0.00000
529 -0.0165 0.00000
530 0.0734 0.00000
531 0.0406 0.00000
532 -0.1066 0.00000
533 -0.1785 0.00000
534 -0.0429 0.00000
535 0.0716 0.00000
536 -0.1129 0.00000
537 -0.0739 0.00000
538 0.1445 0.00000
539 -0.0711 0.00000
540 0.0248 0.00000
541 0.0388 0.00000
542 -0.1092 0.00000
543 -0.0281 0.00000
544 -0.2329 0.00000
545 -0.0304 0.00000
546 -0.0307 0.00000
547 -0.0146 0.00000
548 0.0073 0.00000
549 -0.0740 0.00000
550 0.0053 0.00000
551 0.0437 0.00000
552 -0.0067 0.00000
553 -0.0299 0.00000
554 0.0875 0.00000
555 -0.0409 0.00000
556 0.0048 0.00000
557 -0.0407 0.00000
558 0.0342 0.00000
559 -0.0243 0.00000
560 -0.0288 0.00000
561 -0.0270 0.00000
562 0.1975 0.00000
563 0.0671 0.00000
564 -0.0052 0.00000
565 -0.1368 0.00000
566 -0.0595 0.00000
567 -0.0227 0.00000
568 0.0476 0.00000
569 -0.1154 0.00000
570 0.0322 0.00000
571 0.0836 0.00000
572 -0.0403 0.00000
573 -0.0720 0.00000
574 0.1946 0.00000
575 -0.0045 0.00000
576 0.0278 0.00000
577 0.0853 0.00000
578 -0.2334 0.00000
579 -0.1804 0.00000
580 -0.0575 0.00000
581 0.1721 0.00000
582 -0.0127 0.00000
583 -0.0537 0.00000
584 -0.1391 0.00000
585 -0.1333 0.00000
586 0.0028 0.00000
587 0.1291 0.00000
588 -0.0405 0.00000
589 0.0591 0.00000
590 -0.1111 0.00000
591 -0.0107 0.00000
592 -0.0222 0.00000
593 0.0204 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0287 0.00000
597 0.0197 0.00000
598 0.1027 0.00000
599 0.1589 0.00000
600 0.1526 0.00000
601 0.1346 0.00000
602 -0.0013 0.00000
603 0.0454 0.00000
604 0.1637 0.00000
605 0.0119 0.00000
606 0.0027 0.00000
607 0.0633 0.00000
608 -0.0429 0.00000
609 0.0479 0.00000
610 -0.0557 0.00000
611 0.0255 0.00000
612 -0.0305 0.00000
613 0.0261 0.00000
614 0.0345 0.00000
615 -0.0102 0.00000
616 -0.0652 0.00000
617 0.0668 0.00000
618 -0.0061 0.00000
619 0.0179 0.00000
620 -0.0278 0.00000
621 0.0209 0.00000
622 -0.0045 0.00000
623 -0.0038 0.00000
624 0.0443 0.00000
625 0.0019 0.00000
626 0.1277 0.00000
627 -0.0115 0.00000
628 -0.0103 0.00000
629 0.0811 0.00000
630 0.0058 0.00000
631 -0.0274 0.00000
632 0.0514 0.00000
633 0.0474 0.00000
634 0.0119 0.00000
635 -0.0067 0.00000
636 0.0087 0.00000
637 0.0377 0.00000
638 -0.0700 0.00000
639 -0.0066 0.00000
640 -0.0211 0.00000
641 -0.0115 0.00000
642 -0.0163 0.00000
643 0.0275 0.00000
644 0.0554 0.00000
645 0.0056 0.00000
646 -0.0271 0.00000
647 0.0909 0.00000
648 0.0153 0.00000
649 0.0350 0.00000
650 0.0431 0.00000
651 -0.0160 0.00000
652 -0.0269 0.00000
653 -0.0027 0.00000
654 0.0129 0.00000
655 0.1095 0.00000
656 0.0272 0.00000
657 -0.0348 0.00000
658 -0.0285 0.00000
659 -0.0032 0.00000
660 0.0147 0.00000
661 0.0173 0.00000
662 0.0959 0.00000
663 0.0740 0.00000
664 -0.0177 0.00000
665 -0.0047 0.00000
666 0.1491 0.00000
667 -0.0010 0.00000
668 -0.0490 0.00000
669 0.0395 0.00000
670 0.0030 0.00000
671 0.1801 0.00000
672 0.0750 0.00000
673 0.0068 0.00000
674 0.0505 0.00000
675 0.0253 0.00000
676 0.0321 0.00000
677 0.0307 0.00000
678 -0.0197 0.00000
679 0.0188 0.00000
680 0.1050 0.00000
681 -0.0444 0.00000
682 0.0691 0.00000
683 0.0953 0.00000
684 0.0862 0.00000
685 0.0207 0.00000
686 0.0685 0.00000
687 0.0301 0.00000
688 0.0041 0.00000
689 -0.0100 0.00000
690 0.0132 0.00000
691 -0.0473 0.00000
692 0.0155 0.00000
693 0.1135 0.00000
694 0.0143 0.00000
695 0.1065 0.00000
696 -0.0237 0.00000
697 -0.0012 0.00000
698 0.0608 0.00000
699 -0.0195 0.00000
700 0.0281 0.00000
701 0.1477 0.00000
702 0.0261 0.00000
703 -0.0156 0.00000
704 0.0212 0.00000
705 0.1791 0.00000
706 0.0128 0.00000
707 0.0486 0.00000
708 0.0120 0.00000
709 -0.0274 0.00000
710 0.0080 0.00000
711 0.0187 0.00000
712 -0.0204 0.00000
713 0.0128 0.00000
714 0.0201 0.00000
715 -0.0857 0.00000
716 -0.0077 0.00000
717 -0.0176 0.00000
718 0.0131 0.00000
719 -0.0097 0.00000
720 -0.0724 0.00000
721 0.0280 0.00000
722 0.0106 0.00000
723 0.1044 0.00000
724 0.1273 0.00000
725 0.0043 0.00000
726 -0.0051 0.00000
727 0.0775 0.00000
728 0.0466 0.00000
729 0.0501 0.00000
730 -0.0384 0.00000
731 -0.0110 0.00000
732 0.0182 0.00000
733 0.0377 0.00000
734 -0.0795 0.00000
735 0.0116 0.00000
736 -0.0029 0.00000
737 0.0141 0.00000
738 0.0086 0.00000
739 0.1032 0.00000
740 0.0084 0.00000
741 0.0588 0.00000
742 -0.0143 0.00000
743 -0.0409 0.00000
744 -0.0441 0.00000
745 -0.0321 0.00000
746 0.0156 0.00000
747 -0.0471 0.00000
748 -0.0194 0.00000
749 0.0645 0.00000
750 -0.0553 0.00000
751 -0.0067 0.00000
752 -0.0514 0.00000
753 0.0238 0.00000
754 0.0264 0.00000
755 0.0214 0.00000
756 -0.0319 0.00000
757 -0.2126 0.00000
758 -0.0943 0.00000
759 0.0293 0.00000
760 -0.0400 0.00000
761 -0.0787 0.00000
762 0.0586 0.00000
763 -0.0243 0.00000
764 -0.0593 0.00000
765 0.0281 0.00000
766 0.0166 0.00000
767 -0.0298 0.00000
768 -0.0007 0.00000
769 -0.0122 0.00000
770 0.0124 0.00000
771 0.0096 0.00000
772 -0.0347 0.00000
773 -0.0201 0.00000
774 0.0367 0.00000
775 0.0125 0.00000
776 -0.0289 0.00000
777 0.0150 0.00000
778 0.0010 0.00000
779 0.0528 0.00000
780 -0.0165 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0575 0.00000
5 -0.0822 0.00000
6 -0.0230 0.00000
7 0.0322 0.00000
8 0.0017 0.00000
9 -0.1007 0.00000
10 0.0415 0.00000
11 -0.0343 0.00000
12 0.2560 0.00000
13 -0.0063 0.00000
14 0.0678 0.00000
15 -0.0633 0.00000
16 0.0367 0.00000
17 0.0651 0.00000
18 -0.0091 0.00000
19 0.1937 0.00000
20 0.0071 0.00000
21 -0.0538 0.00000
22 0.0109 0.00000
23 -0.0393 0.00000
24 0.0512 0.00000
25 0.0180 0.00000
26 -1.2401 0.00000
27 -0.5370 0.00000
28 -0.0110 0.00000
29 -0.0395 0.00000
30 -0.7795 0.00000
31 0.0729 0.00000
32 0.0829 0.00000
33 -0.0210 0.00000
34 -0.0530 0.00000
35 0.0130 0.00000
36 0.1555 0.00000
37 0.0291 0.00000
38 0.0485 0.00000
39 0.1401 0.00000
40 -0.0275 0.00000
41 0.0001 0.00000
42 -0.0221 0.00000
43 -0.0920 0.00000
44 -0.4007 0.00000
45 0.0410 0.00000
46 0.0647 0.00000
47 -0.1642 0.00000
48 0.0484 0.00000
49 -0.1324 0.00000
50 -0.0518 0.00000
51 0.0171 0.00000
52 -0.0521 0.00000
53 0.0338 0.00000
54 -0.0817 0.00000
55 -0.0090 0.00000
56 -0.3206 0.00000
57 -0.1066 0.00000
58 -0.0615 0.00000
59 0.0163 0.00000
60 -0.5680 0.00000
61 -0.5655 0.00000
62 -0.3742 0.00000
63 -0.5283 0.00000
64 -0.3794 0.00000
65 -0.1698 0.00000
66 -0.4619 0.00000
67 -0.1165 0.00000
68 -0.1282 0.00000
69 0.0658 0.00000
70 -0.0240 0.00000
71 -0.0369 0.00000
72 -0.0253 0.00000
73 0.0632 0.00000
74 0.0450 0.00000
75 -0.0924 0.00000
76 0.4624 0.00000
77 0.2007 0.00000
78 -0.0534 0.00000
79 -0.6056 0.00000
80 -0.0085 0.00000
81 -0.4883 0.00000
82 0.6145 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1122 0.00000
90 -0.0281 0.00000
91 -0.0126 0.00000
92 -0.0120 0.00000
93 -0.0503 0.00000
94 -0.1352 0.00000
95 0.2908 0.00000
96 0.3010 0.00000
97 -0.0308 0.00000
98 -0.0091 0.00000
99 0.0104 0.00000
100 -0.1004 0.00000
101 -0.0457 0.00000
102 -0.0005 0.00000
103 -0.0434 0.00000
104 0.1596 0.00000
105 -0.0394 0.00000
106 -0.0465 0.00000
107 -0.0228 0.00000
108 -0.3694 0.00000
109 0.0014 0.00000
110 0.0481 0.00000
111 -0.1291 0.00000
112 0.0336 0.00000
113 0.0493 0.00000
114 -0.0798 0.00000
115 -0.0849 0.00000
116 -0.0538 0.00000
117 -0.0968 0.00000
118 0.0707 0.00000
119 -0.0042 0.00000
120 0.0372 0.00000
121 -0.0099 0.00000
122 -0.0329 0.00000
123 0.1736 0.00000
124 0.9862 0.00000
125 0.0158 0.00000
126 -0.0706 0.00000
127 -0.0830 0.00000
128 -0.0024 0.00000
129 0.9040 0.00000
130 0.1923 0.00000
131 0.0889 0.00000
132 -0.1001 0.00000
133 -0.0967 0.00000
134 -0.0345 0.00000
135 -0.0017 0.00000
136 -0.0648 0.00000
137 -0.1268 0.00000
138 -0.1445 0.00000
139 0.0529 0.00000
140 0.0129 0.00000
141 -0.0086 0.00000
142 -0.0932 0.00000
143 0.0314 0.00000
144 0.0080 0.00000
145 -0.0567 0.00000
146 -0.0995 0.00000
147 -0.0214 0.00000
148 0.0191 0.00000
149 -0.0582 0.00000
150 0.0029 0.00000
151 0.1294 0.00000
152 -0.0412 0.00000
153 0.1483 0.00000
154 0.0605 0.00000
155 -0.0727 0.00000
156 0.0266 0.00000
157 -0.2355 0.00000
158 -0.1834 0.00000
159 -0.1444 0.00000
160 -0.3824 0.00000
161 -0.0001 0.00000
162 -0.0247 0.00000
163 -0.0869 0.00000
164 -0.0667 0.00000
165 -0.0407 0.00000
166 -0.0099 0.00000
167 0.0126 0.00000
168 -0.0157 0.00000
169 0.0346 0.00000
170 -0.0003 0.00000
171 -0.0007 0.00000
172 0.0600 0.00000
173 -0.2608 0.00000
174 0.0267 0.00000
175 -0.0738 0.00000
176 -0.0938 0.00000
177 -0.0363 0.00000
178 -0.1114 0.00000
179 -0.0356 0.00000
180 -0.0680 0.00000
181 0.0109 0.00000
182 -0.0755 0.00000
183 -0.2254 0.00000
184 -0.1097 0.00000
185 -0.0700 0.00000
186 0.0186 0.00000
187 -0.0346 0.00000
188 0.0132 0.00000
189 -0.0112 0.00000
190 -0.0565 0.00000
191 -0.0560 0.00000
192 -0.0130 0.00000
193 0.0044 0.00000
194 -0.0720 0.00000
195 -0.8788 0.00000
196 -0.0613 0.00000
197 -0.0269 0.00000
198 -0.2172 0.00000
199 -0.0153 0.00000
200 -0.0484 0.00000
201 -0.0730 0.00000
202 0.0015 0.00000
203 -0.2280 0.00000
204 -0.0820 0.00000
205 -0.0086 0.00000
206 -0.1082 0.00000
207 -0.0629 0.00000
208 -0.0019 0.00000
209 0.0735 0.00000
210 0.0181 0.00000
211 -0.0303 0.00000
212 -0.0509 0.00000
213 0.0085 0.00000
214 0.0597 0.00000
215 0.2370 0.00000
216 0.0604 0.00000
217 -0.1910 0.00000
218 -0.0877 0.00000
219 -0.0243 0.00000
220 0.0461 0.00000
221 -0.0240 0.00000
222 0.2170 0.00000
223 -0.0119 0.00000
224 0.1106 0.00000
225 -0.2700 0.00000
226 0.0217 0.00000
227 0.0354 0.00000
228 0.0512 0.00000
229 -0.0452 0.00000
230 0.2412 0.00000
231 0.0015 0.00000
232 -0.0198 0.00000
233 -0.0129 0.00000
234 -0.0877 0.00000
235 -0.1706 0.00000
236 -0.0666 0.00000
237 0.0161 0.00000
238 -0.0847 0.00000
239 -0.0061 0.00000
240 -0.0197 0.00000
241 -0.0755 0.00000
242 0.0093 0.00000
243 -0.0292 0.00000
244 0.0437 0.00000
245 -0.0085 0.00000
246 0.0474 0.00000
247 -0.0117 0.00000
248 -0.0723 0.00000
249 0.0353 0.00000
250 0.0181 0.00000
251 -0.0514 0.00000
252 -0.1770 0.00000
253 -0.0122 0.00000
254 0.0488 0.00000
255 -0.0306 0.00000
256 0.0110 0.00000
257 0.0248 0.00000
258 0.0021 0.00000
259 0.1399 0.00000
260 0.0549 0.00000
261 0.0375 0.00000
262 0.1579 0.00000
263 0.0295 0.00000
264 0.0849 0.00000
265 0.0569 0.00000
266 -0.0059 0.00000
267 -0.0013 0.00000
268 0.0013 0.00000
269 -0.0134 0.00000
270 0.0330 0.00000
271 -0.0276 0.00000
272 -0.0039 0.00000
273 0.0820 0.00000
274 -0.0887 0.00000
275 -0.0640 0.00000
276 -0.0531 0.00000
277 -0.0756 0.00000
278 -0.0195 0.00000
279 -0.0596 0.00000
280 -0.0090 0.00000
281 -0.0577 0.00000
282 -0.0528 0.00000
283 0.0241 0.00000
284 0.0104 0.00000
285 0.0372 0.00000
286 -0.0643 0.00000
287 0.0449 0.00000
288 0.0600 0.00000
289 -0.0335 0.00000
290 0.0362 0.00000
291 -0.0838 0.00000
292 0.0397 0.00000
293 0.0231 0.00000
294 -0.0949 0.00000
295 -0.0287 0.00000
296 0.0514 0.00000
297 -0.0240 0.00000
298 -0.0496 0.00000
299 0.0395 0.00000
300 -0.0236 0.00000
301 -0.0821 0.00000
302 0.0251 0.00000
303 0.1141 0.00000
304 0.0454 0.00000
305 0.1605 0.00000
306 0.2013 0.00000
307 0.0486 0.00000
308 0.0121 0.00000
309 -0.0031 0.00000
310 0.1457 0.00000
311 -0.0375 0.00000
312 0.0190 0.00000
313 -0.0680 0.00000
314 0.0179 0.00000
315 0.0614 0.00000
316 0.0889 0.00000
317 0.0229 0.00000
318 -0.1068 0.00000
319 -0.0073 0.00000
320 0.0215 0.00000
321 -0.1303 0.00000
322 -0.0448 0.00000
323 -0.0452 0.00000
324 -0.0199 0.00000
325 -0.0021 0.00000
326 0.0222 0.00000
327 -0.0864 0.00000
328 -0.0370 0.00000
329 -0.0601 0.00000
330 -0.0541 0.00000
331 -0.0253 0.00000
332 0.0072 0.00000
333 -0.0047 0.00000
334 0.0690 0.00000
335 0.0015 0.00000
336 -0.0120 0.00000
337 -0.0672 0.00000
338 -0.0817 0.00000
339 -0.0972 0.00000
340 0.0268 0.00000
341 0.0242 0.00000
342 -0.0166 0.00000
343 -0.0420 0.00000
344 0.0053 0.00000
345 -0.0178 0.00000
346 -0.0969 0.00000
347 0.0277 0.00000
348 0.0319 0.00000
349 -0.0254 0.00000
350 -0.0403 0.00000
351 -0.0084 0.00000
352 -0.0711 0.00000
353 0.0130 0.00000
354 -0.0379 0.00000
355 -0.0255 0.00000
356 -0.0434 0.00000
357 0.0013 0.00000
358 0.1025 0.00000
359 -0.0016 0.00000
360 -0.0396 0.00000
361 0.0118 0.00000
362 -0.0000 0.00000
363 -0.0091 0.00000
364 -0.0265 0.00000
365 -0.0582 0.00000
366 -0.0071 0.00000
367 -0.0723 0.00000
368 -0.0121 0.00000
369 -0.0935 0.00000
370 0.0171 0.00000
371 -0.0271 0.00000
372 -0.0999 0.00000
373 -0.0285 0.00000
374 -0.0422 0.00000
375 -0.0068 0.00000
376 0.0105 0.00000
377 -0.1336 0.00000
378 -0.0974 0.00000
379 -0.0520 0.00000
380 -0.1095 0.00000
381 -0.0528 0.00000
382 0.0198 0.00000
383 -0.0431 0.00000
384 0.0829 0.00000
385 -0.2076 0.00000
386 -0.0581 0.00000
387 -0.1038 0.00000
388 -0.0247 0.00000
389 -0.0463 0.00000
390 0.0013 0.00000
391 -0.0156 0.00000
392 0.0413 0.00000
393 -0.0300 0.00000
394 -0.1224 0.00000
395 0.0204 0.00000
396 -0.0025 0.00000
397 -0.0929 0.00000
398 -0.0307 0.00000
399 -0.0367 0.00000
400 0.0008 0.00000
401 -0.0443 0.00000
402 -0.0125 0.00000
403 -0.0058 0.00000
404 -0.0187 0.00000
405 -0.1165 0.00000
406 -0.0094 0.00000
407 -0.0698 0.00000
408 -0.3920 0.00000
409 -0.0127 0.00000
410 -0.1297 0.00000
411 -0.0396 0.00000
412 -0.0173 0.00000
413 -0.0590 0.00000
414 -0.0978 0.00000
415 0.0026 0.00000
416 0.0789 0.00000
417 0.0005 0.00000
418 0.0398 0.00000
419 -0.3537 0.00000
420 -0.0428 0.00000
421 0.0461 0.00000
422 -0.0799 0.00000
423 -0.0164 0.00000
424 -0.0151 0.00000
425 -0.0290 0.00000
426 -0.0803 0.00000
427 -0.0102 0.00000
428 0.0080 0.00000
429 -0.0836 0.00000
430 -0.1696 0.00000
431 0.0391 0.00000
432 -0.0074 0.00000
433 -0.0432 0.00000
434 0.0596 0.00000
435 -0.1000 0.00000
436 0.0086 0.00000
437 -0.0077 0.00000
438 0.0774 0.00000
439 0.0324 0.00000
440 -0.1149 0.00000
441 -0.0179 0.00000
442 0.0049 0.00000
443 0.0125 0.00000
444 -0.0764 0.00000
445 0.0188 0.00000
446 -0.0464 0.00000
447 -0.0191 0.00000
448 -0.1852 0.00000
449 -0.3111 0.00000
450 -0.0843 0.00000
451 -0.0975 0.00000
452 -0.0056 0.00000
453 -0.0107 0.00000
454 -0.0617 0.00000
455 -0.0822 0.00000
456 0.0115 0.00000
457 -0.1566 0.00000
458 -0.0136 0.00000
459 0.0321 0.00000
460 -0.1129 0.00000
461 -0.0382 0.00000
462 0.0233 0.00000
463 -0.0102 0.00000
464 -0.0506 0.00000
465 -0.0683 0.00000
466 -0.0563 0.00000
467 -0.0214 0.00000
468 0.0345 0.00000
469 0.0503 0.00000
470 -0.1797 0.00000
471 -0.1139 0.00000
472 -0.0720 0.00000
473 -0.0011 0.00000
474 0.0108 0.00000
475 -0.0104 0.00000
476 0.0624 0.00000
477 -0.0283 0.00000
478 -0.1147 0.00000
479 0.0326 0.00000
480 0.0223 0.00000
481 0.0210 0.00000
482 -0.0467 0.00000
483 -0.0611 0.00000
484 0.0366 0.00000
485 -0.0590 0.00000
486 -0.0389 0.00000
487 0.0085 0.00000
488 0.1026 0.00000
489 0.0109 0.00000
490 0.0168 0.00000
491 -0.1255 0.00000
492 0.0399 0.00000
493 -0.0020 0.00000
494 -0.0017 0.00000
495 0.1073 0.00000
496 0.2235 0.00000
497 0.0652 0.00000
498 0.0310 0.00000
499 0.0979 0.00000
500 0.0492 0.00000
501 0.0016 0.00000
502 0.0230 0.00000
503 0.0316 0.00000
504 -0.0013 0.00000
505 -0.1367 0.00000
506 -0.0128 0.00000
507 -0.0130 0.00000
508 -0.0275 0.00000
509 0.0032 0.00000
510 -0.0525 0.00000
511 -0.0254 0.00000
512 0.0560 0.00000
513 0.0309 0.00000
514 -0.0039 0.00000
515 -0.0557 0.00000
516 0.0078 0.00000
517 0.0837 0.00000
518 0.0473 0.00000
519 0.0192 0.00000
520 -0.0144 0.00000
521 -0.0114 0.00000
522 -0.0097 0.00000
523 -0.0179 0.00000
524 -0.0202 0.00000
525 0.0432 0.00000
526 0.0720 0.00000
527 -0.1493 0.00000
528 -0.0277 0.00000
529 -0.1072 0.00000
530 0.0120 0.00000
531 -0.0619 0.00000
532 0.0776 0.00000
533 -0.0766 0.00000
534 -0.0031 0.00000
535 -0.0625 0.00000
536 -0.0578 0.00000
537 0.0484 0.00000
538 0.0543 0.00000
539 -0.1106 0.00000
540 0.0489 0.00000
541 -0.0181 0.00000
542 0.0054 0.00000
543 -0.0474 0.00000
544 -0.0307 0.00000
545 -0.1476 0.00000
546 -0.0622 0.00000
547 0.0482 0.00000
548 -0.0778 0.00000
549 -0.1239 0.00000
550 -0.0241 0.00000
551 0.0349 0.00000
552 0.0376 0.00000
553 0.0397 0.00000
554 -0.0389 0.00000
555 -0.0446 0.00000
556 0.0510 0.00000
557 0.0351 0.00000
558 -0.0538 0.00000
559 -0.0577 0.00000
560 -0.0270 0.00000
561 0.0663 0.00000
562 0.1503 0.00000
563 -0.0363 0.00000
564 -0.0095 0.00000
565 -0.0314 0.00000
566 -0.0078 0.00000
567 -0.2733 0.00000
568 0.1083 0.00000
569 -0.1049 0.00000
570 -0.0025 0.00000
571 0.0419 0.00000
572 0.0480 0.00000
573 0.0363 0.00000
574 -0.0711 0.00000
575 0.4658 0.00000
576 -0.0048 0.00000
577 0.0048 0.00000
578 -0.3600 0.00000
579 -0.2006 0.00000
580 0.0038 0.00000
581 0.0789 0.00000
582 -0.0029 0.00000
583 0.0351 0.00000
584 -0.1811 0.00000
585 -0.0681 0.00000
586 -0.0215 0.00000
587 0.1193 0.00000
588 -0.0476 0.00000
589 0.0601 0.00000
590 -0.1488 0.00000
591 0.0324 0.00000
592 -0.0332 0.00000
593 0.0242 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0287 0.00000
597 0.0194 0.00000
598 0.0582 0.00000
599 0.2584 0.00000
600 0.0935 0.00000
601 0.0576 0.00000
602 0.0623 0.00000
603 0.0821 0.00000
604 0.0788 0.00000
605 0.1250 0.00000
606 0.0804 0.00000
607 0.0163 0.00000
608 -0.0364 0.00000
609 -0.0662 0.00000
610 -0.0935 0.00000
611 -0.0025 0.00000
612 -0.0176 0.00000
613 0.0023 0.00000
614 -0.0044 0.00000
615 0.0283 0.00000
616 0.0322 0.00000
617 0.0842 0.00000
618 0.0339 0.00000
619 -0.0123 0.00000
620 0.0179 0.00000
621 0.0381 0.00000
622 0.0709 0.00000
623 0.0646 0.00000
624 -0.0339 0.00000
625 -0.0164 0.00000
626 0.0111 0.00000
627 0.0256 0.00000
628 0.0184 0.00000
629 0.0015 0.00000
630 -0.0559 0.00000
631 -0.0253 0.00000
632 -0.0297 0.00000
633 -0.0169 0.00000
634 0.0639 0.00000
635 0.0990 0.00000
636 0.0814 0.00000
637 0.0036 0.00000
638 -0.0041 0.00000
639 0.0296 0.00000
640 0.0306 0.00000
641 -0.0525 0.00000
642 -0.0440 0.00000
643 0.0980 0.00000
644 -0.0001 0.00000
645 -0.0081 0.00000
646 0.0312 0.00000
647 0.0180 0.00000
648 -0.0231 0.00000
649 0.0139 0.00000
650 0.0361 0.00000
651 0.0443 0.00000
652 0.0029 0.00000
653 -0.0089 0.00000
654 -0.0286 0.00000
655 0.0322 0.00000
656 -0.0321 0.00000
657 0.0362 0.00000
658 -0.0340 0.00000
659 0.0084 0.00000
660 -0.0227 0.00000
661 0.0608 0.00000
662 0.0603 0.00000
663 0.0027 0.00000
664 -0.0060 0.00000
665 0.0525 0.00000
666 -0.0073 0.00000
667 0.0660 0.00000
668 0.0254 0.00000
669 0.0128 0.00000
670 0.0988 0.00000
671 -0.0530 0.00000
672 0.1257 0.00000
673 0.0356 0.00000
674 0.1858 0.00000
675 0.0653 0.00000
676 0.0028 0.00000
677 -0.0774 0.00000
678 0.0060 0.00000
679 0.0297 0.00000
680 0.0922 0.00000
681 0.0172 0.00000
682 -0.0279 0.00000
683 0.0246 0.00000
684 0.2128 0.00000
685 0.1488 0.00000
686 0.0682 0.00000
687 -0.0064 0.00000
688 -0.0205 0.00000
689 -0.0068 0.00000
690 0.0752 0.00000
691 0.0030 0.00000
692 0.1984 0.00000
693 0.0141 0.00000
694 0.0391 0.00000
695 0.0608 0.00000
696 0.0085 0.00000
697 -0.0661 0.00000
698 -0.0208 0.00000
699 0.0068 0.00000
700 0.0071 0.00000
701 0.0404 0.00000
702 0.0704 0.00000
703 0.0579 0.00000
704 0.0252 0.00000
705 0.0368 0.00000
706 0.0349 0.00000
707 0.1273 0.00000
708 -0.0021 0.00000
709 -0.0086 0.00000
710 0.0805 0.00000
711 0.0314 0.00000
712 -0.0935 0.00000
713 0.0257 0.00000
714 0.0336 0.00000
715 -0.0455 0.00000
716 -0.0133 0.00000
717 0.0180 0.00000
718 0.0331 0.00000
719 -0.0250 0.00000
720 -0.0339 0.00000
721 0.0537 0.00000
722 0.0352 0.00000
723 0.0587 0.00000
724 -0.0351 0.00000
725 -0.0090 0.00000
726 -0.0039 0.00000
727 -0.0305 0.00000
728 0.0030 0.00000
729 0.0076 0.00000
730 0.0416 0.00000
731 0.0118 0.00000
732 -0.0156 0.00000
733 -0.0367 0.00000
734 -0.0568 0.00000
735 0.0161 0.00000
736 -0.0128 0.00000
737 0.0307 0.00000
738 0.0600 0.00000
739 -0.0050 0.00000
740 0.0260 0.00000
741 0.0594 0.00000
742 0.0628 0.00000
743 -0.0194 0.00000
744 -0.0745 0.00000
745 -0.0009 0.00000
746 -0.0036 0.00000
747 -0.0089 0.00000
748 0.0149 0.00000
749 -0.0323 0.00000
750 0.0361 0.00000
751 0.0079 0.00000
752 -0.0151 0.00000
753 -0.0044 0.00000
754 -0.0960 0.00000
755 -0.0648 0.00000
756 -0.0130 0.00000
757 0.0207 0.00000
758 0.0535 0.00000
759 -0.0051 0.00000
760 -0.0129 0.00000
761 -0.1137 0.00000
762 -0.0275 0.00000
763 0.0107 0.00000
764 -0.0070 0.00000
765 0.0064 0.00000
766 -0.0342 0.00000
767 0.0370 0.00000
768 -0.0778 0.00000
769 -0.0638 0.00000
770 0.0315 0.00000
771 0.0198 0.00000
772 -0.0294 0.00000
773 -0.0005 0.00000
774 -0.0315 0.00000
775 -0.0244 0.00000
776 0.0494 0.00000
777 -0.0225 0.00000
778 -0.0070 0.00000
779 -0.0336 0.00000
780 -0.0055 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0581 0.00000
5 -0.0814 0.00000
6 -0.0233 0.00000
7 0.0320 0.00000
8 0.0012 0.00000
9 -0.1000 0.00000
10 0.0428 0.00000
11 -0.0342 0.00000
12 0.2549 0.00000
13 -0.0064 0.00000
14 0.0680 0.00000
15 -0.0631 0.00000
16 0.0428 0.00000
17 0.0519 0.00000
18 -0.0096 0.00000
19 0.2332 0.00000
20 -0.0240 0.00000
21 -0.0540 0.00000
22 0.0127 0.00000
23 -0.0425 0.00000
24 0.1587 0.00000
25 -0.1576 0.00000
26 -0.9486 0.00000
27 -0.7667 0.00000
28 -0.0050 0.00000
29 0.0031 0.00000
30 -0.7854 0.00000
31 0.0381 0.00000
32 0.0933 0.00000
33 -0.0228 0.00000
34 -0.0573 0.00000
35 0.0282 0.00000
36 0.0483 0.00000
37 0.1852 0.00000
38 0.0074 0.00000
39 -0.0205 0.00000
40 0.1062 0.00000
41 -0.0061 0.00000
42 0.0257 0.00000
43 -0.0922 0.00000
44 -0.2302 0.00000
45 -0.1627 0.00000
46 -0.1257 0.00000
47 -0.0143 0.00000
48 0.0789 0.00000
49 -0.0762 0.00000
50 -0.0267 0.00000
51 0.1286 0.00000
52 -0.2978 0.00000
53 0.0452 0.00000
54 -0.0073 0.00000
55 -0.0889 0.00000
56 -0.2631 0.00000
57 -0.0968 0.00000
58 -0.1065 0.00000
59 -0.0128 0.00000
60 -0.5000 0.00000
61 -0.1893 0.00000
62 -1.1010 0.00000
63 -0.3871 0.00000
64 -0.1574 0.00000
65 -0.2588 0.00000
66 -0.4678 0.00000
67 -0.1695 0.00000
68 -0.0329 0.00000
69 0.0938 0.00000
70 0.1052 0.00000
71 -0.1655 0.00000
72 -0.0254 0.00000
73 0.0550 0.00000
74 0.0386 0.00000
75 0.0375 0.00000
76 0.3437 0.00000
77 0.2206 0.00000
78 -0.1185 0.00000
79 -0.5605 0.00000
80 -0.0079 0.00000
81 -0.4886 0.00000
82 0.6151 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1105 0.00000
90 -0.0264 0.00000
91 -0.0198 0.00000
92 -0.0005 0.00000
93 -0.0454 0.00000
94 -0.1452 0.00000
95 0.2722 0.00000
96 0.3375 0.00000
97 -0.0476 0.00000
98 -0.0048 0.00000
99 -0.0062 0.00000
100 -0.1160 0.00000
101 -0.0226 0.00000
102 0.0023 0.00000
103 -0.0407 0.00000
104 0.1330 0.00000
105 0.0038 0.00000
106 -0.0794 0.00000
107 -0.0444 0.00000
108 -0.2751 0.00000
109 -0.0410 0.00000
110 -0.0548 0.00000
111 -0.0393 0.00000
112 0.0587 0.00000
113 0.0080 0.00000
114 -0.0454 0.00000
115 -0.1089 0.00000
116 -0.0591 0.00000
117 -0.0855 0.00000
118 0.0603 0.00000
119 0.0242 0.00000
120 -0.0078 0.00000
121 0.0419 0.00000
122 -0.0415 0.00000
123 -0.0568 0.00000
124 1.2016 0.00000
125 0.0222 0.00000
126 -0.0655 0.00000
127 -0.0480 0.00000
128 -0.0222 0.00000
129 0.9330 0.00000
130 0.0089 0.00000
131 0.1044 0.00000
132 0.0026 0.00000
133 -0.0905 0.00000
134 -0.0313 0.00000
135 -0.0022 0.00000
136 -0.0479 0.00000
137 -0.1447 0.00000
138 -0.1440 0.00000
139 0.0688 0.00000
140 -0.0086 0.00000
141 -0.0091 0.00000
142 -0.0930 0.00000
143 0.0425 0.00000
144 -0.0031 0.00000
145 -0.0525 0.00000
146 -0.0989 0.00000
147 -0.0231 0.00000
148 0.0115 0.00000
149 -0.0484 0.00000
150 0.0176 0.00000
151 0.0803 0.00000
152 0.0100 0.00000
153 0.1480 0.00000
154 -0.0303 0.00000
155 0.1839 0.00000
156 -0.0016 0.00000
157 -0.7787 0.00000
158 -0.0277 0.00000
159 0.0014 0.00000
160 -0.1666 0.00000
161 -0.0225 0.00000
162 -0.0487 0.00000
163 -0.0192 0.00000
164 0.0240 0.00000
165 -0.0725 0.00000
166 -0.1150 0.00000
167 -0.0472 0.00000
168 -0.2290 0.00000
169 0.0042 0.00000
170 0.0776 0.00000
171 -0.0397 0.00000
172 0.0378 0.00000
173 -0.0303 0.00000
174 -0.0977 0.00000
175 -0.1356 0.00000
176 0.0330 0.00000
177 -0.0216 0.00000
178 -0.0085 0.00000
179 0.0536 0.00000
180 -0.1214 0.00000
181 -0.0496 0.00000
182 -0.2050 0.00000
183 -0.0191 0.00000
184 -0.3525 0.00000
185 -0.0385 0.00000
186 0.0998 0.00000
187 0.0085 0.00000
188 -0.0526 0.00000
189 -0.1795 0.00000
190 -0.0334 0.00000
191 -0.0395 0.00000
192 0.0355 0.00000
193 0.0097 0.00000
194 -0.1559 0.00000
195 -0.4381 0.00000
196 -0.0764 0.00000
197 -0.2509 0.00000
198 -0.2932 0.00000
199 -0.0736 0.00000
200 -0.0697 0.00000
201 -0.1608 0.00000
202 0.0132 0.00000
203 -0.0188 0.00000
204 -0.0744 0.00000
205 -0.1900 0.00000
206 -0.0525 0.00000
207 -0.0318 0.00000
208 0.0617 0.00000
209 0.0860 0.00000
210 0.0122 0.00000
211 -0.0045 0.00000
212 -0.1135 0.00000
213 -0.0022 0.00000
214 0.2045 0.00000
215 0.1562 0.00000
216 -0.1758 0.00000
217 -0.0911 0.00000
218 -0.0211 0.00000
219 0.0344 0.00000
220 0.0892 0.00000
221 0.0190 0.00000
222 0.1322 0.00000
223 0.0198 0.00000
224 0.0188 0.00000
225 -0.1198 0.00000
226 -0.0670 0.00000
227 -0.0005 0.00000
228 0.0383 0.00000
229 -0.0544 0.00000
230 0.2838 0.00000
231 0.0007 0.00000
232 0.0033 0.00000
233 -0.0349 0.00000
234 -0.0959 0.00000
235 -0.1632 0.00000
236 -0.0180 0.00000
237 -0.1940 0.00000
238 -0.0035 0.00000
239 0.0677 0.00000
240 -0.0288 0.00000
241 -0.0123 0.00000
242 -0.0633 0.00000
243 -0.0505 0.00000
244 0.0405 0.00000
245 0.0658 0.00000
246 0.0362 0.00000
247 -0.0254 0.00000
248 -0.0288 0.00000
249 0.0296 0.00000
250 -0.0041 0.00000
251 -0.0221 0.00000
252 -0.2402 0.00000
253 0.0266 0.00000
254 -0.0298 0.00000
255 -0.0294 0.00000
256 0.0143 0.00000
257 0.0243 0.00000
258 0.0257 0.00000
259 0.1538 0.00000
260 0.1049 0.00000
261 0.0672 0.00000
262 0.0768 0.00000
263 0.1033 0.00000
264 0.0603 0.00000
265 0.0667 0.00000
266 0.0007 0.00000
267 -0.0184 0.00000
268 -0.1069 0.00000
269 0.0271 0.00000
270 -0.0306 0.00000
271 -0.0031 0.00000
272 -0.0242 0.00000
273 0.0537 0.00000
274 -0.0649 0.00000
275 -0.0927 0.00000
276 0.0558 0.00000
277 -0.0480 0.00000
278 -0.0453 0.00000
279 0.0202 0.00000
280 -0.0226 0.00000
281 0.0261 0.00000
282 0.0236 0.00000
283 -0.0386 0.00000
284 -0.0290 0.00000
285 -0.0253 0.00000
286 -0.0105 0.00000
287 -0.0513 0.00000
288 0.0240 0.00000
289 -0.0254 0.00000
290 -0.0234 0.00000
291 0.1305 0.00000
292 -0.0212 0.00000
293 0.0481 0.00000
294 -0.0349 0.00000
295 -0.0926 0.00000
296 -0.0281 0.00000
297 -0.0285 0.00000
298 0.0056 0.00000
299 -0.0156 0.00000
300 0.0114 0.00000
301 -0.0290 0.00000
302 0.1444 0.00000
303 0.0577 0.00000
304 0.0284 0.00000
305 0.1786 0.00000
306 -0.0406 0.00000
307 0.0447 0.00000
308 -0.0279 0.00000
309 0.1242 0.00000
310 -0.0117 0.00000
311 -0.0168 0.00000
312 -0.0600 0.00000
313 0.2013 0.00000
314 0.0947 0.00000
315 -0.0187 0.00000
316 -0.0191 0.00000
317 -0.0473 0.00000
318 -0.0049 0.00000
319 0.0277 0.00000
320 -0.0691 0.00000
321 -0.0034 0.00000
322 -0.0798 0.00000
323 -0.0407 0.00000
324 -0.0005 0.00000
325 0.0498 0.00000
326 -0.0549 0.00000
327 -0.0639 0.00000
328 -0.0982 0.00000
329 -0.0323 0.00000
330 0.0630 0.00000
331 -0.0160 0.00000
332 0.0251 0.00000
333 -0.1022 0.00000
334 0.0112 0.00000
335 -0.0972 0.00000
336 0.0187 0.00000
337 -0.0525 0.00000
338 -0.0234 0.00000
339 -0.0451 0.00000
340 -0.0211 0.00000
341 -0.0080 0.00000
342 0.0992 0.00000
343 -0.0181 0.00000
344 -0.0120 0.00000
345 -0.1045 0.00000
346 -0.0542 0.00000
347 0.0380 0.00000
348 0.0034 0.00000
349 -0.0603 0.00000
350 -0.0602 0.00000
351 0.0033 0.00000
352 -0.0118 0.00000
353 -0.0116 0.00000
354 -0.0814 0.00000
355 0.0132 0.00000
356 -0.0117 0.00000
357 -0.0842 0.00000
358 0.0323 0.00000
359 0.0712 0.00000
360 -0.0418 0.00000
361 -0.0281 0.00000
362 -0.0107 0.00000
363 0.0065 0.00000
364 -0.0217 0.00000
365 -0.0579 0.00000
366 -0.0092 0.00000
367 -0.0861 0.00000
368 -0.0436 0.00000
369 0.0237 0.00000
370 -0.0203 0.00000
371 -0.0783 0.00000
372 -0.0892 0.00000
373 0.0094 0.00000
374 0.0157 0.00000
375 -0.0084 0.00000
376 -0.0538 0.00000
377 -0.0337 0.00000
378 -0.0205 0.00000
379 -0.0857 0.00000
380 0.0187 0.00000
381 -0.0237 0.00000
382 -0.0310 0.00000
383 0.0046 0.00000
384 -0.1262 0.00000
385 -0.1059 0.00000
386 -0.1071 0.00000
387 -0.0606 0.00000
388 -0.0557 0.00000
389 -0.0430 0.00000
390 0.0070 0.00000
391 -0.0315 0.00000
392 -0.1002 0.00000
393 -0.0431 0.00000
394 0.0262 0.00000
395 -0.0838 0.00000
396 -0.1139 0.00000
397 0.0317 0.00000
398 -0.0147 0.00000
399 -0.1382 0.00000
400 -0.0843 0.00000
401 0.0558 0.00000
402 -0.0200 0.00000
403 -0.0397 0.00000
404 -0.1166 0.00000
405 -0.0549 0.00000
406 -0.0184 0.00000
407 -0.1437 0.00000
408 0.0286 0.00000
409 -0.1975 0.00000
410 0.0554 0.00000
411 -0.0502 0.00000
412 -0.0499 0.00000
413 -0.0523 0.00000
414 -0.0490 0.00000
415 -0.0612 0.00000
416 -0.2299 0.00000
417 -0.1029 0.00000
418 0.0233 0.00000
419 -0.0377 0.00000
420 -0.0183 0.00000
421 0.0429 0.00000
422 -0.1236 0.00000
423 -0.0082 0.00000
424 -0.0486 0.00000
425 -0.0675 0.00000
426 -0.0389 0.00000
427 -0.0217 0.00000
428 -0.0122 0.00000
429 0.0053 0.00000
430 -0.1970 0.00000
431 0.0185 0.00000
432 -0.0130 0.00000
433 -0.0098 0.00000
434 -0.0303 0.00000
435 0.0534 0.00000
436 -0.0823 0.00000
437 -0.1017 0.00000
438 0.1722 0.00000
439 0.0364 0.00000
440 -0.0260 0.00000
441 0.0060 0.00000
442 -0.0303 0.00000
443 0.0431 0.00000
444 -0.1743 0.00000
445 -0.1709 0.00000
446 -0.0266 0.00000
447 -0.0514 0.00000
448 -0.0768 0.00000
449 -0.0750 0.00000
450 -0.0171 0.00000
451 -0.0565 0.00000
452 -0.1503 0.00000
453 -0.0654 0.00000
454 -0.1300 0.00000
455 -0.0048 0.00000
456 -0.1268 0.00000
457 -0.0278 0.00000
458 -0.0611 0.00000
459 0.0259 0.00000
460 -0.0353 0.00000
461 -0.1648 0.00000
462 -0.0578 0.00000
463 -0.0101 0.00000
464 -0.0111 0.00000
465 -0.0463 0.00000
466 0.0364 0.00000
467 -0.1651 0.00000
468 -0.0468 0.00000
469 -0.0545 0.00000
470 -0.0073 0.00000
471 -0.0184 0.00000
472 -0.0256 0.00000
473 0.0239 0.00000
474 -0.0097 0.00000
475 0.0053 0.00000
476 0.0000 0.00000
477 -0.0096 0.00000
478 -0.0008 0.00000
479 -0.0519 0.00000
480 0.0267 0.00000
481 -0.1037 0.00000
482 0.0448 0.00000
483 0.0594 0.00000
484 0.0122 0.00000
485 -0.0176 0.00000
486 0.0389 0.00000
487 0.0546 0.00000
488 -0.1032 0.00000
489 -0.0209 0.00000
490 -0.0056 0.00000
491 0.0153 0.00000
492 0.1346 0.00000
493 -0.0137 0.00000
494 -0.0185 0.00000
495 0.0172 0.00000
496 0.0332 0.00000
497 -0.0837 0.00000
498 -0.0083 0.00000
499 0.0319 0.00000
500 -0.0149 0.00000
501 0.0719 0.00000
502 0.0704 0.00000
503 -0.0308 0.00000
504 0.1390 0.00000
505 -0.0062 0.00000
506 0.0308 0.00000
507 0.0956 0.00000
508 0.0186 0.00000
509 0.0708 0.00000
510 0.0199 0.00000
511 0.0019 0.00000
512 -0.0496 0.00000
513 -0.0303 0.00000
514 0.0447 0.00000
515 -0.0668 0.00000
516 -0.0724 0.00000
517 0.0583 0.00000
518 -0.0451 0.00000
519 0.0896 0.00000
520 -0.0200 0.00000
521 -0.0034 0.00000
522 -0.0063 0.00000
523 -0.0037 0.00000
524 -0.0179 0.00000
525 -0.1013 0.00000
526 -0.0120 0.00000
527 0.0271 0.00000
528 -0.0971 0.00000
529 -0.0904 0.00000
530 0.0257 0.00000
531 0.0523 0.00000
532 0.0664 0.00000
533 -0.0463 0.00000
534 -0.0291 0.00000
535 -0.0236 0.00000
536 0.0410 0.00000
537 -0.0679 0.00000
538 -0.1324 0.00000
539 -0.0314 0.00000
540 -0.0431 0.00000
541 0.0010 0.00000
542 -0.0710 0.00000
543 -0.0398 0.00000
544 -0.0230 0.00000
545 -0.1911 0.00000
546 0.0337 0.00000
547 0.0107 0.00000
548 -0.0626 0.00000
549 -0.0224 0.00000
550 0.1029 0.00000
551 0.0291 0.00000
552 0.0012 0.00000
553 0.0380 0.00000
554 -0.0594 0.00000
555 -0.0120 0.00000
556 -0.0861 0.00000
557 0.0598 0.00000
558 0.0321 0.00000
559 -0.0499 0.00000
560 -0.1657 0.00000
561 -0.0388 0.00000
562 0.0680 0.00000
563 0.1917 0.00000
564 0.0070 0.00000
565 -0.0636 0.00000
566 0.0388 0.00000
567 -0.0185 0.00000
568 0.0183 0.00000
569 0.0205 0.00000
570 -0.0661 0.00000
571 -0.0362 0.00000
572 -0.1262 0.00000
573 0.2893 0.00000
574 -0.0334 0.00000
575 0.0593 0.00000
576 -0.1369 0.00000
577 0.1501 0.00000
578 -0.1182 0.00000
579 -0.0880 0.00000
580 -0.0116 0.00000
581 -0.1094 0.00000
582 -0.0556 0.00000
583 0.0256 0.00000
584 -0.1335 0.00000
585 -0.0857 0.00000
586 -0.0064 0.00000
587 0.1259 0.00000
588 -0.0513 0.00000
589 0.0602 0.00000
590 -0.1080 0.00000
591 -0.0111 0.00000
592 -0.0257 0.00000
593 0.0193 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0288 0.00000
597 0.0197 0.00000
598 0.1054 0.00000
599 0.2244 0.00000
600 0.0436 0.00000
601 0.1497 0.00000
602 0.1295 0.00000
603 0.0234 0.00000
604 0.0395 0.00000
605 0.0020 0.00000
606 0.0122 0.00000
607 0.0184 0.00000
608 0.0351 0.00000
609 0.0774 0.00000
610 -0.0214 0.00000
611 -0.0306 0.00000
612 0.1147 0.00000
613 -0.1087 0.00000
614 -0.0835 0.00000
615 0.0735 0.00000
616 0.0008 0.00000
617 0.0086 0.00000
618 0.0052 0.00000
619 0.0551 0.00000
620 0.0069 0.00000
621 -0.0027 0.00000
622 -0.0582 0.00000
623 0.0422 0.00000
624 0.0150 0.00000
625 0.0360 0.00000
626 0.0433 0.00000
627 0.0221 0.00000
628 0.0670 0.00000
629 -0.0075 0.00000
630 -0.0223 0.00000
631 -0.0020 0.00000
632 0.0461 0.00000
633 0.0476 0.00000
634 0.0093 0.00000
635 0.0236 0.00000
636 0.0052 0.00000
637 0.0391 0.00000
638 -0.0293 0.00000
639 0.0759 0.00000
640 -0.0075 0.00000
641 0.0028 0.00000
642 -0.0097 0.00000
643 -0.0399 0.00000
644 0.0265 0.00000
645 0.0503 0.00000
646 -0.0274 0.00000
647 0.0146 0.00000
648 -0.0027 0.00000
649 0.0198 0.00000
650 0.0010 0.00000
651 0.0107 0.00000
652 0.0194 0.00000
653 -0.0094 0.00000
654 0.0138 0.00000
655 -0.0413 0.00000
656 0.0204 0.00000
657 0.0777 0.00000
658 0.0182 0.00000
659 0.0447 0.00000
660 -0.0148 0.00000
661 0.1474 0.00000
662 0.0237 0.00000
663 0.0052 0.00000
664 -0.0175 0.00000
665 0.0349 0.00000
666 -0.0079 0.00000
667 -0.0128 0.00000
668 0.0024 0.00000
669 0.0382 0.00000
670 0.0107 0.00000
671 0.0271 0.00000
672 0.0316 0.00000
673 -0.0290 0.00000
674 -0.0224 0.00000
675 0.1057 0.00000
676 0.0243 0.00000
677 0.0713 0.00000
678 0.0530 0.00000
679 0.1512 0.00000
680 0.0109 0.00000
681 0.0716 0.00000
682 0.0206 0.00000
683 0.0811 0.00000
684 0.1794 0.00000
685 -0.0414 0.00000
686 0.0663 0.00000
687 -0.0073 0.00000
688 0.0092 0.00000
689 0.1461 0.00000
690 0.0933 0.00000
691 0.0994 0.00000
692 0.0711 0.00000
693 -0.0042 0.00000
694 0.0141 0.00000
695 0.1783 0.00000
696 0.0482 0.00000
697 -0.0472 0.00000
698 -0.0712 0.00000
699 -0.0168 0.00000
700 -0.0026 0.00000
701 0.0001 0.00000
702 -0.0444 0.00000
703 0.0201 0.00000
704 -0.0054 0.00000
705 0.1156 0.00000
706 0.0044 0.00000
707 0.0206 0.00000
708 0.0718 0.00000
709 0.0159 0.00000
710 -0.0221 0.00000
711 0.0604 0.00000
712 0.0529 0.00000
713 -0.0117 0.00000
714 0.0301 0.00000
715 0.0120 0.00000
716 0.0115 0.00000
717 0.0469 0.00000
718 -0.0224 0.00000
719 -0.0360 0.00000
720 0.0436 0.00000
721 -0.0225 0.00000
722 0.0235 0.00000
723 -0.0326 0.00000
724 0.0166 0.00000
725 -0.0103 0.00000
726 0.0560 0.00000
727 0.0036 0.00000
728 0.0492 0.00000
729 -0.0360 0.00000
730 0.0171 0.00000
731 0.0106 0.00000
732 -0.0386 0.00000
733 0.0536 0.00000
734 -0.0024 0.00000
735 -0.0240 0.00000
736 0.0526 0.00000
737 -0.0270 0.00000
738 -0.0076 0.00000
739 -0.0121 0.00000
740 -0.0210 0.00000
741 -0.0541 0.00000
742 0.0025 0.00000
743 0.0012 0.00000
744 0.0290 0.00000
745 0.0017 0.00000
746 0.0041 0.00000
747 0.0209 0.00000
748 -0.0248 0.00000
749 0.0146 0.00000
750 0.0185 0.00000
751 -0.0202 0.00000
752 -0.1210 0.00000
753 -0.0250 0.00000
754 0.0114 0.00000
755 -0.0807 0.00000
756 0.0014 0.00000
757 -0.0005 0.00000
758 0.0163 0.00000
759 -0.0042 0.00000
760 -0.0182 0.00000
761 -0.0460 0.00000
762 -0.0324 0.00000
763 -0.0342 0.00000
764 0.0463 0.00000
765 0.0049 0.00000
766 -0.0509 0.00000
767 -0.0268 0.00000
768 -0.0378 0.00000
769 -0.0173 0.00000
770 0.0057 0.00000
771 -0.0252 0.00000
772 0.0233 0.00000
773 0.0276 0.00000
774 -0.0071 0.00000
775 0.0034 0.00000
776 -0.0065 0.00000
777 -0.0434 0.00000
778 0.0059 0.00000
779 0.0316 0.00000
780 -0.0141 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0578 0.00000
5 -0.0818 0.00000
6 -0.0228 0.00000
7 0.0316 0.00000
8 0.0013 0.00000
9 -0.1003 0.00000
10 0.0389 0.00000
11 -0.0342 0.00000
12 0.2591 0.00000
13 -0.0059 0.00000
14 0.0674 0.00000
15 -0.0632 0.00000
16 0.0200 0.00000
17 0.0982 0.00000
18 -0.0183 0.00000
19 0.1552 0.00000
20 0.0313 0.00000
21 -0.0539 0.00000
22 0.0105 0.00000
23 -0.0288 0.00000
24 0.1671 0.00000
25 -0.1928 0.00000
26 -0.6498 0.00000
27 -1.0333 0.00000
28 -0.0111 0.00000
29 0.0052 0.00000
30 -0.8343 0.00000
31 0.0927 0.00000
32 0.0648 0.00000
33 -0.0270 0.00000
34 -0.0431 0.00000
35 0.0149 0.00000
36 0.1522 0.00000
37 0.0227 0.00000
38 0.0512 0.00000
39 0.1527 0.00000
40 -0.0276 0.00000
41 -0.0079 0.00000
42 0.0251 0.00000
43 -0.0909 0.00000
44 -0.3812 0.00000
45 -0.0160 0.00000
46 -0.0810 0.00000
47 -0.0386 0.00000
48 0.0680 0.00000
49 0.0001 0.00000
50 -0.2459 0.00000
51 -0.1287 0.00000
52 0.1504 0.00000
53 0.0335 0.00000
54 0.0250 0.00000
55 -0.1264 0.00000
56 -0.2778 0.00000
57 -0.1063 0.00000
58 -0.0653 0.00000
59 -0.4762 0.00000
60 -0.0439 0.00000
61 -0.2152 0.00000
62 -1.4166 0.00000
63 -0.1334 0.00000
64 -0.1523 0.00000
65 -0.1180 0.00000
66 -0.5706 0.00000
67 -0.1727 0.00000
68 -0.0320 0.00000
69 0.0899 0.00000
70 0.1098 0.00000
71 -0.1689 0.00000
72 -0.0256 0.00000
73 0.0556 0.00000
74 0.0405 0.00000
75 -0.1249 0.00000
76 0.5253 0.00000
77 0.1816 0.00000
78 -0.7022 0.00000
79 0.0422 0.00000
80 -0.0084 0.00000
81 -0.4884 0.00000
82 0.6155 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1120 0.00000
90 -0.0291 0.00000
91 -0.0216 0.00000
92 0.0105 0.00000
93 -0.0494 0.00000
94 -0.1506 0.00000
95 0.2103 0.00000
96 0.3661 0.00000
97 -0.0326 0.00000
98 -0.0155 0.00000
99 0.0379 0.00000
100 -0.0982 0.00000
101 -0.0497 0.00000
102 0.0575 0.00000
103 0.0333 0.00000
104 -0.0009 0.00000
105 -0.0566 0.00000
106 -0.0223 0.00000
107 -0.0875 0.00000
108 -0.0226 0.00000
109 -0.3800 0.00000
110 0.0679 0.00000
111 -0.0304 0.00000
112 0.0569 0.00000
113 0.0263 0.00000
114 -0.0472 0.00000
115 -0.0967 0.00000
116 -0.0991 0.00000
117 -0.0880 0.00000
118 0.0797 0.00000
119 -0.0088 0.00000
120 0.0093 0.00000
121 0.0354 0.00000
122 -0.0488 0.00000
123 0.4431 0.00000
124 0.7142 0.00000
125 0.0369 0.00000
126 -0.0753 0.00000
127 -0.0620 0.00000
128 -0.0023 0.00000
129 1.0905 0.00000
130 -0.0298 0.00000
131 0.0245 0.00000
132 -0.0409 0.00000
133 -0.0850 0.00000
134 -0.0334 0.00000
135 -0.0025 0.00000
136 -0.0366 0.00000
137 -0.1657 0.00000
138 -0.1333 0.00000
139 0.0524 0.00000
140 0.0145 0.00000
141 -0.0076 0.00000
142 -0.0926 0.00000
143 0.0309 0.00000
144 0.0080 0.00000
145 -0.0557 0.00000
146 -0.0989 0.00000
147 -0.0231 0.00000
148 0.0140 0.00000
149 -0.0482 0.00000
150 -0.0006 0.00000
151 0.0198 0.00000
152 0.2490 0.00000
153 -0.0328 0.00000
154 -0.1042 0.00000
155 0.0533 0.00000
156 0.0570 0.00000
157 -0.0360 0.00000
158 -0.6410 0.00000
159 -0.1832 0.00000
160 0.0238 0.00000
161 0.0575 0.00000
162 0.0417 0.00000
163 -0.1145 0.00000
164 0.0253 0.00000
165 -0.1415 0.00000
166 -0.2098 0.00000
167 -0.1613 0.00000
168 -0.0408 0.00000
169 0.1111 0.00000
170 -0.0089 0.00000
171 -0.0072 0.00000
172 0.0056 0.00000
173 -0.0743 0.00000
174 -0.0056 0.00000
175 0.0089 0.00000
176 -0.0574 0.00000
177 -0.1186 0.00000
178 -0.0262 0.00000
179 -0.0290 0.00000
180 0.0269 0.00000
181 -0.3067 0.00000
182 0.0104 0.00000
183 -0.1380 0.00000
184 -0.1568 0.00000
185 -0.1754 0.00000
186 -0.0332 0.00000
187 0.1168 0.00000
188 0.0483 0.00000
189 -0.0057 0.00000
190 -0.0051 0.00000
191 -0.1336 0.00000
192 0.0194 0.00000
193 -0.2433 0.00000
194 -0.3191 0.00000
195 -0.0672 0.00000
196 -0.0540 0.00000
197 -0.0784 0.00000
198 -0.4820 0.00000
199 -0.0359 0.00000
200 -0.1860 0.00000
201 -0.0410 0.00000
202 -0.2296 0.00000
203 0.0074 0.00000
204 -0.0939 0.00000
205 -0.0145 0.00000
206 -0.0491 0.00000
207 -0.0304 0.00000
208 0.0361 0.00000
209 0.0391 0.00000
210 -0.0249 0.00000
211 0.0060 0.00000
212 0.0028 0.00000
213 -0.0187 0.00000
214 0.0525 0.00000
215 0.2392 0.00000
216 -0.2508 0.00000
217 -0.0465 0.00000
218 0.0229 0.00000
219 0.1145 0.00000
220 0.0417 0.00000
221 0.0159 0.00000
222 0.1089 0.00000
223 -0.0255 0.00000
224 0.0882 0.00000
225 -0.1322 0.00000
226 -0.0734 0.00000
227 -0.0023 0.00000
228 0.0354 0.00000
229 -0.0573 0.00000
230 0.2895 0.00000
231 0.0002 0.00000
232 -0.0104 0.00000
233 -0.0198 0.00000
234 -0.0960 0.00000
235 -0.1781 0.00000
236 -0.0120 0.00000
237 0.0261 0.00000
238 -0.2087 0.00000
239 0.0358 0.00000
240 -0.0444 0.00000
241 0.0022 0.00000
242 -0.0133 0.00000
243 0.0194 0.00000
244 -0.0209 0.00000
245 0.0404 0.00000
246 0.0345 0.00000
247 -0.0132 0.00000
248 -0.0176 0.00000
249 0.0242 0.00000
250 -0.0474 0.00000
251 -0.0603 0.00000
252 -0.1049 0.00000
253 -0.0268 0.00000
254 -0.0266 0.00000
255 -0.0323 0.00000
256 -0.0412 0.00000
257 -0.0285 0.00000
258 0.1218 0.00000
259 -0.0154 0.00000
260 0.3391 0.00000
261 0.0182 0.00000
262 0.0654 0.00000
263 0.1210 0.00000
264 0.0147 0.00000
265 -0.0017 0.00000
266 0.0430 0.00000
267 0.0336 0.00000
268 -0.0718 0.00000
269 0.0008 0.00000
270 -0.0124 0.00000
271 0.0024 0.00000
272 -0.0376 0.00000
273 0.0234 0.00000
274 -0.0297 0.00000
275 -0.0452 0.00000
276 -0.0291 0.00000
277 -0.0436 0.00000
278 -0.0463 0.00000
279 -0.0295 0.00000
280 0.0249 0.00000
281 -0.0030 0.00000
282 -0.0331 0.00000
283 0.0089 0.00000
284 -0.0176 0.00000
285 -0.0502 0.00000
286 0.0110 0.00000
287 0.0562 0.00000
288 -0.0240 0.00000
289 -0.0810 0.00000
290 0.0034 0.00000
291 0.0504 0.00000
292 0.0358 0.00000
293 -0.0384 0.00000
294 -0.0205 0.00000
295 -0.0392 0.00000
296 0.0003 0.00000
297 -0.1254 0.00000
298 0.0003 0.00000
299 0.1470 0.00000
300 0.1605 0.00000
301 0.0140 0.00000
302 -0.0933 0.00000
303 -0.0218 0.00000
304 0.0737 0.00000
305 0.0008 0.00000
306 -0.0351 0.00000
307 0.0302 0.00000
308 0.1901 0.00000
309 0.0457 0.00000
310 0.1336 0.00000
311 -0.0326 0.00000
312 0.0053 0.00000
313 0.1053 0.00000
314 0.0437 0.00000
315 0.0508 0.00000
316 -0.0490 0.00000
317 0.0036 0.00000
318 -0.0226 0.00000
319 0.0190 0.00000
320 0.0225 0.00000
321 -0.0384 0.00000
322 -0.1855 0.00000
323 -0.0351 0.00000
324 -0.0230 0.00000
325 -0.0273 0.00000
326 0.0593 0.00000
327 -0.0095 0.00000
328 -0.0253 0.00000
329 -0.0480 0.00000
330 -0.0987 0.00000
331 -0.0642 0.00000
332 -0.0122 0.00000
333 -0.0069 0.00000
334 0.0072 0.00000
335 -0.0114 0.00000
336 -0.0552 0.00000
337 -0.0341 0.00000
338 -0.0532 0.00000
339 -0.0792 0.00000
340 0.0154 0.00000
341 -0.0256 0.00000
342 0.0468 0.00000
343 0.0186 0.00000
344 -0.0426 0.00000
345 0.0088 0.00000
346 0.0498 0.00000
347 -0.0165 0.00000
348 -0.0442 0.00000
349 -0.1985 0.00000
350 0.0190 0.00000
351 -0.0346 0.00000
352 -0.0091 0.00000
353 0.0034 0.00000
354 -0.0684 0.00000
355 -0.0112 0.00000
356 0.0831 0.00000
357 -0.0676 0.00000
358 0.1264 0.00000
359 -0.0857 0.00000
360 -0.0035 0.00000
361 0.0156 0.00000
362 -0.0339 0.00000
363 -0.0581 0.00000
364 -0.0068 0.00000
365 -0.0320 0.00000
366 -0.0179 0.00000
367 -0.0438 0.00000
368 0.0552 0.00000
369 -0.0606 0.00000
370 -0.0443 0.00000
371 -0.0710 0.00000
372 -0.0110 0.00000
373 -0.0538 0.00000
374 -0.0171 0.00000
375 -0.0980 0.00000
376 -0.0510 0.00000
377 -0.0295 0.00000
378 -0.0171 0.00000
379 -0.0027 0.00000
380 -0.0867 0.00000
381 -0.0765 0.00000
382 -0.0822 0.00000
383 -0.0364 0.00000
384 -0.0795 0.00000
385 -0.0454 0.00000
386 0.0613 0.00000
387 0.0119 0.00000
388 -0.0720 0.00000
389 -0.0828 0.00000
390 0.0254 0.00000
391 0.0148 0.00000
392 -0.0459 0.00000
393 -0.1361 0.00000
394 -0.1289 0.00000
395 -0.0353 0.00000
396 -0.0200 0.00000
397 -0.0202 0.00000
398 0.0165 0.00000
399 -0.0374 0.00000
400 -0.0248 0.00000
401 -0.0152 0.00000
402 -0.1322 0.00000
403 -0.0292 0.00000
404 -0.0542 0.00000
405 -0.1581 0.00000
406 -0.0736 0.00000
407 -0.0270 0.00000
408 -0.0664 0.00000
409 -0.0980 0.00000
410 -0.0897 0.00000
411 -0.0978 0.00000
412 -0.1545 0.00000
413 -0.0218 0.00000
414 0.0162 0.00000
415 -0.0944 0.00000
416 -0.1411 0.00000
417 0.1699 0.00000
418 -0.2034 0.00000
419 -0.0066 0.00000
420 0.0265 0.00000
421 -0.1739 0.00000
422 0.0057 0.00000
423 -0.0904 0.00000
424 -0.0021 0.00000
425 -0.0223 0.00000
426 -0.0005 0.00000
427 -0.0535 0.00000
428 -0.0351 0.00000
429 -0.0974 0.00000
430 -0.0274 0.00000
431 -0.0688 0.00000
432 0.0125 0.00000
433 -0.0719 0.00000
434 -0.0599 0.00000
435 0.0157 0.00000
436 -0.0116 0.00000
437 0.1092 0.00000
438 -0.0661 0.00000
439 -0.0200 0.00000
440 0.0009 0.00000
441 -0.0113 0.00000
442 -0.0277 0.00000
443 -0.0004 0.00000
444 0.0307 0.00000
445 -0.0994 0.00000
446 -0.1155 0.00000
447 -0.0226 0.00000
448 -0.0272 0.00000
449 -0.0633 0.00000
450 -0.1223 0.00000
451 -0.0743 0.00000
452 -0.0204 0.00000
453 -0.0633 0.00000
454 0.0264 0.00000
455 -0.0077 0.00000
456 -0.0093 0.00000
457 -0.1505 0.00000
458 -0.0253 0.00000
459 -0.0590 0.00000
460 -0.0601 0.00000
461 -0.1121 0.00000
462 -0.0178 0.00000
463 -0.0277 0.00000
464 -0.0832 0.00000
465 -0.0421 0.00000
466 0.0300 0.00000
467 -0.1899 0.00000
468 0.0169 0.00000
469 0.0215 0.00000
470 -0.0208 0.00000
471 -0.0780 0.00000
472 0.0023 0.00000
473 -0.0848 0.00000
474 0.0372 0.00000
475 -0.1478 0.00000
476 0.0173 0.00000
477 -0.0471 0.00000
478 -0.0160 0.00000
479 -0.0592 0.00000
480 0.0123 0.00000
481 0.0016 0.00000
482 -0.0931 0.00000
483 0.0365 0.00000
484 -0.0498 0.00000
485 -0.0563 0.00000
486 -0.0789 0.00000
487 -0.0386 0.00000
488 0.0932 0.00000
489 0.0234 0.00000
490 0.0525 0.00000
491 0.2464 0.00000
492 -0.0375 0.00000
493 0.0170 0.00000
494 0.0348 0.00000
495 -0.0624 0.00000
496 0.0276 0.00000
497 0.0071 0.00000
498 0.0893 0.00000
499 0.0969 0.00000
500 -0.0469 0.00000
501 0.0066 0.00000
502 -0.0256 0.00000
503 -0.0446 0.00000
504 0.0741 0.00000
505 0.0599 0.00000
506 0.0565 0.00000
507 0.0563 0.00000
508 -0.0411 0.00000
509 -0.0956 0.00000
510 0.0014 0.00000
511 0.0104 0.00000
512 0.0792 0.00000
513 0.0283 0.00000
514 -0.0544 0.00000
515 0.1248 0.00000
516 0.0412 0.00000
517 0.0635 0.00000
518 -0.1376 0.00000
519 0.0582 0.00000
520 -0.0588 0.00000
521 0.0089 0.00000
522 0.0035 0.00000
523 -0.0367 0.00000
524 -0.1212 0.00000
525 0.0193 0.00000
526 0.0694 0.00000
527 -0.0139 0.00000
528 -0.0115 0.00000
529 0.0737 0.00000
530 0.0025 0.00000
531 -0.1406 0.00000
532 -0.0429 0.00000
533 0.0017 0.00000
534 -0.0774 0.00000
535 -0.0699 0.00000
536 -0.0010 0.00000
537 -0.0821 0.00000
538 -0.0223 0.00000
539 0.0491 0.00000
540 0.0069 0.00000
541 -0.0444 0.00000
542 -0.0796 0.00000
543 -0.0152 0.00000
544 -0.1894 0.00000
545 -0.1114 0.00000
546 -0.0022 0.00000
547 0.0376 0.00000
548 -0.0677 0.00000
549 0.0857 0.00000
550 0.0417 0.00000
551 -0.0554 0.00000
552 0.0177 0.00000
553 0.0719 0.00000
554 -0.0482 0.00000
555 0.0894 0.00000
556 0.0187 0.00000
557 -0.0978 0.00000
558 0.1192 0.00000
559 -0.1082 0.00000
560 -0.0081 0.00000
561 0.0258 0.00000
562 0.0463 0.00000
563 0.1128 0.00000
564 -0.1634 0.00000
565 -0.0056 0.00000
566 -0.0499 0.00000
567 0.0409 0.00000
568 -0.1503 0.00000
569 0.0192 0.00000
570 0.0012 0.00000
571 -0.1555 0.00000
572 0.0166 0.00000
573 0.0815 0.00000
574 0.0157 0.00000
575 0.0290 0.00000
576 0.1139 0.00000
577 0.0966 0.00000
578 -0.0327 0.00000
579 -0.1670 0.00000
580 0.2345 0.00000
581 -0.2765 0.00000
582 -0.0121 0.00000
583 -0.0095 0.00000
584 -0.1916 0.00000
585 -0.1142 0.00000
586 0.0233 0.00000
587 0.1184 0.00000
588 -0.0397 0.00000
589 0.0600 0.00000
590 -0.1073 0.00000
591 -0.0170 0.00000
592 -0.0192 0.00000
593 0.0199 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0287 0.00000
597 0.0197 0.00000
598 0.0899 0.00000
599 0.2981 0.00000
600 0.0139 0.00000
601 0.1264 0.00000
602 0.0494 0.00000
603 -0.0133 0.00000
604 0.0551 0.00000
605 0.0392 0.00000
606 0.0812 0.00000
607 0.0399 0.00000
608 0.0119 0.00000
609 0.0089 0.00000
610 -0.0355 0.00000
611 -0.0387 0.00000
612 0.0080 0.00000
613 0.0929 0.00000
614 0.0292 0.00000
615 -0.0545 0.00000
616 -0.0058 0.00000
617 0.0561 0.00000
618 -0.0347 0.00000
619 -0.0330 0.00000
620 0.0902 0.00000
621 0.0676 0.00000
622 -0.0389 0.00000
623 -0.0234 0.00000
624 0.0740 0.00000
625 0.0006 0.00000
626 -0.0114 0.00000
627 0.1129 0.00000
628 -0.0049 0.00000
629 -0.0061 0.00000
630 0.0360 0.00000
631 0.0280 0.00000
632 0.0337 0.00000
633 -0.0802 0.00000
634 -0.0202 0.00000
635 -0.0125 0.00000
636 0.0235 0.00000
637 0.0145 0.00000
638 0.0368 0.00000
639 -0.0182 0.00000
640 0.0531 0.00000
641 -0.0145 0.00000
642 0.0524 0.00000
643 -0.0175 0.00000
644 0.0726 0.00000
645 0.0295 0.00000
646 -0.0194 0.00000
647 -0.0165 0.00000
648 -0.0019 0.00000
649 0.0227 0.00000
650 0.0369 0.00000
651 0.0877 0.00000
652 0.1686 0.00000
653 -0.0451 0.00000
654 -0.0112 0.00000
655 -0.0206 0.00000
656 0.0052 0.00000
657 0.0190 0.00000
658 -0.0176 0.00000
659 -0.0099 0.00000
660 -0.0126 0.00000
661 -0.0515 0.00000
662 0.0067 0.00000
663 0.0751 0.00000
664 0.1519 0.00000
665 -0.0069 0.00000
666 0.0310 0.00000
667 0.0391 0.00000
668 -0.0433 0.00000
669 0.2980 0.00000
670 0.0164 0.00000
671 0.0581 0.00000
672 -0.0084 0.00000
673 0.0609 0.00000
674 0.0212 0.00000
675 -0.0055 0.00000
676 0.0656 0.00000
677 0.0059 0.00000
678 -0.0599 0.00000
679 -0.0244 0.00000
680 0.0643 0.00000
681 0.0185 0.00000
682 -0.0161 0.00000
683 -0.0614 0.00000
684 -0.0169 0.00000
685 0.0436 0.00000
686 -0.0321 0.00000
687 0.0013 0.00000
688 -0.0024 0.00000
689 0.0457 0.00000
690 0.0788 0.00000
691 0.0091 0.00000
692 0.0268 0.00000
693 0.0101 0.00000
694 0.1457 0.00000
695 -0.0276 0.00000
696 0.0691 0.00000
697 0.0174 0.00000
698 0.0632 0.00000
699 0.1256 0.00000
700 0.0677 0.00000
701 0.1998 0.00000
702 0.1232 0.00000
703 -0.0164 0.00000
704 0.0051 0.00000
705 0.0212 0.00000
706 0.0189 0.00000
707 0.0020 0.00000
708 0.0577 0.00000
709 0.0150 0.00000
710 0.0495 0.00000
711 0.0500 0.00000
712 -0.0242 0.00000
713 -0.0160 0.00000
714 -0.0220 0.00000
715 0.0605 0.00000
716 -0.0471 0.00000
717 0.0840 0.00000
718 0.0220 0.00000
719 -0.0669 0.00000
720 0.0235 0.00000
721 -0.0113 0.00000
722 0.0897 0.00000
723 -0.0407 0.00000
724 -0.0100 0.00000
725 0.0092 0.00000
726 0.0479 0.00000
727 0.0336 0.00000
728 0.0962 0.00000
729 0.0366 0.00000
730 0.0136 0.00000
731 -0.0445 0.00000
732 -0.0305 0.00000
733 -0.0373 0.00000
734 0.0377 0.00000
735 -0.0035 0.00000
736 -0.0069 0.00000
737 -0.0412 0.00000
738 -0.0404 0.00000
739 -0.0108 0.00000
740 0.0139 0.00000
741 -0.0065 0.00000
742 0.0471 0.00000
743 -0.0091 0.00000
744 0.0142 0.00000
745 -0.0291 0.00000
746 -0.0039 0.00000
747 0.0049 0.00000
748 -0.0216 0.00000
749 -0.0002 0.00000
750 0.0243 0.00000
751 0.0211 0.00000
752 0.0154 0.00000
753 -0.0434 0.00000
754 -0.0816 0.00000
755 -0.0191 0.00000
756 -0.0029 0.00000
757 0.0401 0.00000
758 -0.0110 0.00000
759 -0.0005 0.00000
760 0.0082 0.00000
761 0.0023 0.00000
762 -0.0159 0.00000
763 -0.0002 0.00000
764 -0.0233 0.00000
765 -0.0404 0.00000
766 0.0271 0.00000
767 -0.0448 0.00000
768 -0.0075 0.00000
769 0.0442 0.00000
770 0.0337 0.00000
771 -0.0209 0.00000
772 -0.0726 0.00000
773 -0.1459 0.00000
774 0.0551 0.00000
775 -0.0895 0.00000
776 -0.0501 0.00000
777 -0.0535 0.00000
778 -0.0126 0.00000
779 0.0298 0.00000
780 -0.0063 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0578 0.00000
5 -0.0818 0.00000
6 -0.0234 0.00000
7 0.0323 0.00000
8 0.0015 0.00000
9 -0.1004 0.00000
10 0.0417 0.00000
11 -0.0343 0.00000
12 0.2558 0.00000
13 -0.0065 0.00000
14 0.0680 0.00000
15 -0.0633 0.00000
16 0.0426 0.00000
17 0.0522 0.00000
18 -0.0078 0.00000
19 0.1572 0.00000
20 0.0496 0.00000
21 -0.0538 0.00000
22 0.0125 0.00000
23 -0.0430 0.00000
24 0.0728 0.00000
25 0.0001 0.00000
26 -1.3138 0.00000
27 -0.4657 0.00000
28 -0.0171 0.00000
29 -0.0407 0.00000
30 -0.6891 0.00000
31 -0.0315 0.00000
32 0.1188 0.00000
33 -0.0248 0.00000
34 -0.0590 0.00000
35 0.0284 0.00000
36 0.0523 0.00000
37 0.1828 0.00000
38 0.0072 0.00000
39 0.1155 0.00000
40 -0.0245 0.00000
41 -0.0032 0.00000
42 -0.0206 0.00000
43 -0.0921 0.00000
44 0.0001 0.00000
45 -0.3631 0.00000
46 -0.0892 0.00000
47 -0.0305 0.00000
48 0.0700 0.00000
49 -0.1054 0.00000
50 -0.0367 0.00000
51 0.1303 0.00000
52 -0.2501 0.00000
53 0.0357 0.00000
54 -0.1882 0.00000
55 0.0830 0.00000
56 -0.2901 0.00000
57 -0.1058 0.00000
58 -0.0686 0.00000
59 -0.0067 0.00000
60 -0.5414 0.00000
61 -0.7282 0.00000
62 -0.1027 0.00000
63 -0.5384 0.00000
64 -0.4918 0.00000
65 -0.2196 0.00000
66 -0.3717 0.00000
67 -0.0979 0.00000
68 -0.1486 0.00000
69 0.0655 0.00000
70 -0.0530 0.00000
71 -0.0092 0.00000
72 -0.0252 0.00000
73 0.0631 0.00000
74 0.0461 0.00000
75 -0.1172 0.00000
76 0.4869 0.00000
77 0.2098 0.00000
78 -0.0480 0.00000
79 -0.6218 0.00000
80 -0.0073 0.00000
81 -0.4881 0.00000
82 0.6144 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1121 0.00000
90 -0.0280 0.00000
91 -0.0131 0.00000
92 -0.0112 0.00000
93 -0.0512 0.00000
94 -0.1375 0.00000
95 0.2985 0.00000
96 0.2673 0.00000
97 -0.0085 0.00000
98 -0.0208 0.00000
99 0.0350 0.00000
100 -0.1198 0.00000
101 -0.0342 0.00000
102 -0.0002 0.00000
103 -0.0440 0.00000
104 0.1612 0.00000
105 -0.0232 0.00000
106 -0.0683 0.00000
107 -0.0413 0.00000
108 -0.3105 0.00000
109 0.0006 0.00000
110 -0.0723 0.00000
111 -0.0416 0.00000
112 0.0573 0.00000
113 0.0335 0.00000
114 -0.0908 0.00000
115 -0.0898 0.00000
116 -0.0570 0.00000
117 -0.0876 0.00000
118 0.0676 0.00000
119 0.0071 0.00000
120 0.0191 0.00000
121 0.0290 0.00000
122 -0.0281 0.00000
123 -0.0869 0.00000
124 1.1261 0.00000
125 0.1004 0.00000
126 -0.0611 0.00000
127 -0.0739 0.00000
128 -0.0119 0.00000
129 0.9408 0.00000
130 0.1720 0.00000
131 0.0701 0.00000
132 -0.0913 0.00000
133 -0.1070 0.00000
134 -0.0345 0.00000
135 -0.0024 0.00000
136 -0.0570 0.00000
137 -0.1294 0.00000
138 -0.1470 0.00000
139 0.0704 0.00000
140 -0.0119 0.00000
141 -0.0101 0.00000
142 -0.0936 0.00000
143 0.0433 0.00000
144 -0.0030 0.00000
145 -0.0542 0.00000
146 -0.0988 0.00000
147 -0.0215 0.00000
148 0.0232 0.00000
149 -0.0631 0.00000
150 0.0179 0.00000
151 0.0879 0.00000
152 -0.0207 0.00000
153 0.1726 0.00000
154 -0.0018 0.00000
155 0.2023 0.00000
156 -0.4404 0.00000
157 -0.0862 0.00000
158 -0.0249 0.00000
159 -0.2655 0.00000
160 -0.2628 0.00000
161 -0.0363 0.00000
162 -0.0258 0.00000
163 -0.0327 0.00000
164 0.0059 0.00000
165 -0.0064 0.00000
166 -0.2046 0.00000
167 -0.0097 0.00000
168 0.0442 0.00000
169 -0.1294 0.00000
170 0.0070 0.00000
171 0.0092 0.00000
172 -0.0394 0.00000
173 -0.0380 0.00000
174 0.0326 0.00000
175 -0.0978 0.00000
176 -0.0027 0.00000
177 -0.0432 0.00000
178 -0.1003 0.00000
179 -0.0944 0.00000
180 -0.0876 0.00000
181 -0.0613 0.00000
182 -0.0796 0.00000
183 0.0879 0.00000
184 -0.3686 0.00000
185 -0.0923 0.00000
186 0.0808 0.00000
187 -0.1422 0.00000
188 0.0194 0.00000
189 -0.0100 0.00000
190 -0.0879 0.00000
191 -0.0517 0.00000
192 0.0389 0.00000
193 -0.0115 0.00000
194 -0.1251 0.00000
195 -0.5877 0.00000
196 -0.0558 0.00000
197 -0.0295 0.00000
198 -0.4484 0.00000
199 -0.0732 0.00000
200 0.0074 0.00000
201 -0.0805 0.00000
202 -0.0498 0.00000
203 -0.0278 0.00000
204 -0.2194 0.00000
205 -0.0444 0.00000
206 -0.0974 0.00000
207 0.0064 0.00000
208 -0.0020 0.00000
209 0.0411 0.00000
210 0.0551 0.00000
211 -0.0848 0.00000
212 -0.0590 0.00000
213 0.0834 0.00000
214 0.0578 0.00000
215 0.2833 0.00000
216 -0.1475 0.00000
217 -0.0463 0.00000
218 -0.1732 0.00000
219 0.0444 0.00000
220 0.0931 0.00000
221 -0.0394 0.00000
222 0.2213 0.00000
223 0.0043 0.00000
224 0.0485 0.00000
225 -0.2280 0.00000
226 0.0190 0.00000
227 0.0390 0.00000
228 0.0478 0.00000
229 -0.0443 0.00000
230 0.2374 0.00000
231 0.0014 0.00000
232 -0.0122 0.00000
233 -0.0220 0.00000
234 -0.0888 0.00000
235 -0.1558 0.00000
236 -0.0339 0.00000
237 -0.0582 0.00000
238 -0.0727 0.00000
239 0.0333 0.00000
240 -0.0290 0.00000
241 -0.0892 0.00000
242 -0.0537 0.00000
243 0.0427 0.00000
244 0.0402 0.00000
245 -0.0141 0.00000
246 0.0423 0.00000
247 -0.0146 0.00000
248 -0.0538 0.00000
249 0.0294 0.00000
250 0.0206 0.00000
251 -0.0294 0.00000
252 -0.2565 0.00000
253 0.0826 0.00000
254 -0.0078 0.00000
255 0.0397 0.00000
256 -0.0609 0.00000
257 0.0300 0.00000
258 0.0301 0.00000
259 0.0422 0.00000
260 0.0447 0.00000
261 0.2055 0.00000
262 0.0441 0.00000
263 0.0913 0.00000
264 0.0666 0.00000
265 0.0429 0.00000
266 0.0092 0.00000
267 -0.0129 0.00000
268 0.0278 0.00000
269 -0.0427 0.00000
270 -0.0030 0.00000
271 -0.0034 0.00000
272 -0.0376 0.00000
273 0.1218 0.00000
274 -0.0977 0.00000
275 -0.0600 0.00000
276 -0.0650 0.00000
277 -0.0259 0.00000
278 -0.0602 0.00000
279 -0.0274 0.00000
280 -0.0220 0.00000
281 -0.0491 0.00000
282 -0.0402 0.00000
283 0.0169 0.00000
284 0.0584 0.00000
285 0.0335 0.00000
286 0.0063 0.00000
287 -0.0232 0.00000
288 -0.0194 0.00000
289 -0.0560 0.00000
290 -0.0907 0.00000
291 -0.0426 0.00000
292 0.0345 0.00000
293 -0.0367 0.00000
294 0.0895 0.00000
295 0.0329 0.00000
296 0.0356 0.00000
297 -0.0239 0.00000
298 -0.0294 0.00000
299 -0.0136 0.00000
300 -0.0505 0.00000
301 0.0197 0.00000
302 0.0157 0.00000
303 0.2537 0.00000
304 -0.0282 0.00000
305 0.0970 0.00000
306 0.1700 0.00000
307 0.0566 0.00000
308 0.0154 0.00000
309 -0.0384 0.00000
310 0.0087 0.00000
311 0.0772 0.00000
312 -0.0527 0.00000
313 -0.0895 0.00000
314 0.0921 0.00000
315 0.0427 0.00000
316 0.0538 0.00000
317 0.0732 0.00000
318 -0.0656 0.00000
319 -0.0629 0.00000
320 -0.0315 0.00000
321 -0.0806 0.00000
322 -0.1135 0.00000
323 -0.0169 0.00000
324 0.0589 0.00000
325 0.0205 0.00000
326 -0.0531 0.00000
327 0.0175 0.00000
328 -0.0137 0.00000
329 -0.0344 0.00000
330 -0.0514 0.00000
331 -0.0044 0.00000
332 -0.0913 0.00000
333 -0.0693 0.00000
334 0.0640 0.00000
335 0.0008 0.00000
336 -0.0136 0.00000
337 -0.0598 0.00000
338 -0.0202 0.00000
339 -0.0156 0.00000
340 -0.0756 0.00000
341 0.0145 0.00000
342 0.0917 0.00000
343 -0.0361 0.00000
344 0.0083 0.00000
345 -0.0562 0.00000
346 0.0564 0.00000
347 -0.1377 0.00000
348 -0.0128 0.00000
349 -0.0467 0.00000
350 -0.0355 0.00000
351 -0.0400 0.00000
352 -0.0359 0.00000
353 -0.0277 0.00000
354 -0.0924 0.00000
355 -0.0026 0.00000
356 -0.0126 0.00000
357 0.0156 0.00000
358 -0.0446 0.00000
359 0.1217 0.00000
360 0.0133 0.00000
361 0.0033 0.00000
362 -0.0299 0.00000
363 0.0569 0.00000
364 -0.0340 0.00000
365 -0.0744 0.00000
366 -0.0235 0.00000
367 -0.0424 0.00000
368 -0.0789 0.00000
369 -0.0068 0.00000
370 -0.0376 0.00000
371 -0.0429 0.00000
372 -0.0667 0.00000
373 -0.0112 0.00000
374 0.0053 0.00000
375 -0.0714 0.00000
376 -0.0430 0.00000
377 -0.0770 0.00000
378 -0.1483 0.00000
379 -0.0266 0.00000
380 -0.0129 0.00000
381 0.0270 0.00000
382 -0.0704 0.00000
383 0.0280 0.00000
384 -0.1484 0.00000
385 -0.0708 0.00000
386 -0.0552 0.00000
387 -0.0735 0.00000
388 -0.0790 0.00000
389 -0.0171 0.00000
390 0.0248 0.00000
391 -0.0272 0.00000
392 -0.0502 0.00000
393 -0.0352 0.00000
394 -0.0323 0.00000
395 -0.0450 0.00000
396 0.0165 0.00000
397 -0.2315 0.00000
398 0.0606 0.00000
399 -0.0755 0.00000
400 -0.0102 0.00000
401 -0.0080 0.00000
402 -0.0322 0.00000
403 -0.0662 0.00000
404 -0.0074 0.00000
405 -0.0953 0.00000
406 0.0083 0.00000
407 -0.0355 0.00000
408 -0.1804 0.00000
409 0.0060 0.00000
410 -0.1134 0.00000
411 -0.0262 0.00000
412 -0.1162 0.00000
413 0.0065 0.00000
414 -0.0990 0.00000
415 -0.0077 0.00000
416 -0.1485 0.00000
417 0.0005 0.00000
418 -0.0386 0.00000
419 -0.2593 0.00000
420 -0.0947 0.00000
421 0.0001 0.00000
422 -0.0331 0.00000
423 -0.0583 0.00000
424 0.0309 0.00000
425 -0.0717 0.00000
426 0.0018 0.00000
427 -0.0004 0.00000
428 -0.1902 0.00000
429 -0.0435 0.00000
430 -0.0273 0.00000
431 -0.0097 0.00000
432 -0.0035 0.00000
433 -0.0181 0.00000
434 0.0588 0.00000
435 0.0233 0.00000
436 0.0211 0.00000
437 0.0602 0.00000
438 -0.0529 0.00000
439 0.0307 0.00000
440 -0.0522 0.00000
441 0.0847 0.00000
442 0.0270 0.00000
443 -0.0745 0.00000
444 -0.1722 0.00000
445 -0.0056 0.00000
446 -0.1220 0.00000
447 -0.0106 0.00000
448 -0.2920 0.00000
449 -0.1151 0.00000
450 -0.1482 0.00000
451 -0.0054 0.00000
452 -0.0689 0.00000
453 -0.1524 0.00000
454 0.0117 0.00000
455 -0.0078 0.00000
456 -0.0547 0.00000
457 -0.0147 0.00000
458 -0.1402 0.00000
459 0.0479 0.00000
460 -0.0502 0.00000
461 0.0023 0.00000
462 0.0123 0.00000
463 -0.0198 0.00000
464 -0.0378 0.00000
465 0.0312 0.00000
466 -0.0982 0.00000
467 -0.0293 0.00000
468 -0.0609 0.00000
469 -0.0109 0.00000
470 -0.0539 0.00000
471 -0.1041 0.00000
472 -0.0442 0.00000
473 -0.0155 0.00000
474 0.0669 0.00000
475 0.0182 0.00000
476 -0.0271 0.00000
477 -0.0284 0.00000
478 -0.0168 0.00000
479 -0.0468 0.00000
480 -0.0397 0.00000
481 -0.0307 0.00000
482 0.0283 0.00000
483 -0.0158 0.00000
484 0.0079 0.00000
485 -0.0466 0.00000
486 -0.0641 0.00000
487 0.0126 0.00000
488 -0.0204 0.00000
489 0.0613 0.00000
490 -0.0669 0.00000
491 -0.0362 0.00000
492 0.0228 0.00000
493 -0.0092 0.00000
494 0.0885 0.00000
495 0.0976 0.00000
496 0.0731 0.00000
497 0.0243 0.00000
498 0.1044 0.00000
499 0.1325 0.00000
500 -0.0069 0.00000
501 0.0289 0.00000
502 -0.0102 0.00000
503 0.0266 0.00000
504 -0.0116 0.00000
505 -0.0355 0.00000
506 0.0023 0.00000
507 0.0313 0.00000
508 -0.0082 0.00000
509 0.0962 0.00000
510 0.0291 0.00000
511 -0.1620 0.00000
512 -0.0475 0.00000
513 -0.0494 0.00000
514 0.0175 0.00000
515 0.0024 0.00000
516 -0.0368 0.00000
517 0.0559 0.00000
518 0.0229 0.00000
519 0.0751 0.00000
520 -0.0154 0.00000
521 0.0152 0.00000
522 -0.0016 0.00000
523 0.1190 0.00000
524 -0.0591 0.00000
525 0.0343 0.00000
526 -0.0946 0.00000
527 -0.0023 0.00000
528 0.0134 0.00000
529 -0.1496 0.00000
530 -0.0684 0.00000
531 -0.0236 0.00000
532 0.0424 0.00000
533 -0.0465 0.00000
534 -0.0304 0.00000
535 0.0009 0.00000
536 0.0550 0.00000
537 -0.0117 0.00000
538 -0.0864 0.00000
539 -0.0372 0.00000
540 0.0843 0.00000
541 -0.1742 0.00000
542 -0.0014 0.00000
543 -0.0287 0.00000
544 -0.1812 0.00000
545 0.0102 0.00000
546 0.0174 0.00000
547 0.0237 0.00000
548 -0.0270 0.00000
549 -0.0756 0.00000
550 0.0619 0.00000
551 -0.0558 0.00000
552 -0.0048 0.00000
553 0.0463 0.00000
554 0.0575 0.00000
555 0.0345 0.00000
556 0.0178 0.00000
557 -0.1537 0.00000
558 -0.0992 0.00000
559 0.0004 0.00000
560 -0.1275 0.00000
561 0.0295 0.00000
562 0.1069 0.00000
563 0.0383 0.00000
564 0.0090 0.00000
565 0.0157 0.00000
566 -0.0166 0.00000
567 -0.0912 0.00000
568 -0.0109 0.00000
569 0.0216 0.00000
570 -0.1420 0.00000
571 0.0693 0.00000
572 0.1318 0.00000
573 -0.0476 0.00000
574 0.0626 0.00000
575 0.2560 0.00000
576 -0.0651 0.00000
577 0.1863 0.00000
578 -0.3073 0.00000
579 -0.1722 0.00000
580 0.0240 0.00000
581 -0.0933 0.00000
582 -0.0319 0.00000
583 0.0080 0.00000
584 -0.1528 0.00000
585 -0.0016 0.00000
586 -0.0650 0.00000
587 0.1082 0.00000
588 -0.0400 0.00000
589 0.0596 0.00000
590 -0.1454 0.00000
591 0.0325 0.00000
592 -0.0355 0.00000
593 0.0231 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0287 0.00000
597 0.0194 0.00000
598 0.0570 0.00000
599 0.3415 0.00000
600 -0.0173 0.00000
601 0.1000 0.00000
602 -0.0172 0.00000
603 0.1106 0.00000
604 0.1273 0.00000
605 0.1630 0.00000
606 -0.0156 0.00000
607 -0.0029 0.00000
608 -0.0861 0.00000
609 -0.0279 0.00000
610 -0.0589 0.00000
611 0.0735 0.00000
612 -0.0455 0.00000
613 -0.0182 0.00000
614 0.0584 0.00000
615 0.0618 0.00000
616 0.0098 0.00000
617 -0.0104 0.00000
618 0.0594 0.00000
619 -0.0078 0.00000
620 0.0036 0.00000
621 0.0661 0.00000
622 0.0282 0.00000
623 0.0005 0.00000
624 0.0384 0.00000
625 -0.0121 0.00000
626 -0.0020 0.00000
627 0.0449 0.00000
628 0.0790 0.00000
629 0.0237 0.00000
630 -0.0740 0.00000
631 0.0225 0.00000
632 0.0014 0.00000
633 -0.0230 0.00000
634 0.0575 0.00000
635 0.0309 0.00000
636 -0.0031 0.00000
637 -0.0373 0.00000
638 0.0239 0.00000
639 0.0066 0.00000
640 0.0082 0.00000
641 -0.0074 0.00000
642 0.0044 0.00000
643 0.1430 0.00000
644 -0.0756 0.00000
645 -0.0071 0.00000
646 0.0456 0.00000
647 0.0812 0.00000
648 -0.0348 0.00000
649 -0.0091 0.00000
650 0.0154 0.00000
651 0.0046 0.00000
652 0.0025 0.00000
653 0.0724 0.00000
654 -0.0279 0.00000
655 -0.0266 0.00000
656 -0.0091 0.00000
657 0.0173 0.00000
658 -0.0199 0.00000
659 -0.0095 0.00000
660 -0.0019 0.00000
661 0.0085 0.00000
662 0.0286 0.00000
663 0.0695 0.00000
664 -0.0512 0.00000
665 0.0627 0.00000
666 0.2058 0.00000
667 -0.0093 0.00000
668 -0.0311 0.00000
669 -0.0045 0.00000
670 -0.0035 0.00000
671 0.1887 0.00000
672 0.0276 0.00000
673 0.0024 0.00000
674 -0.0513 0.00000
675 -0.0161 0.00000
676 0.0234 0.00000
677 0.0838 0.00000
678 0.0256 0.00000
679 0.0684 0.00000
680 0.0930 0.00000
681 -0.0012 0.00000
682 0.0698 0.00000
683 0.0980 0.00000
684 0.0124 0.00000
685 0.1946 0.00000
686 -0.0033 0.00000
687 0.0095 0.00000
688 0.1194 0.00000
689 0.0217 0.00000
690 0.1718 0.00000
691 0.0538 0.00000
692 0.0401 0.00000
693 -0.0076 0.00000
694 0.0148 0.00000
695 -0.0024 0.00000
696 0.0000 0.00000
697 0.1623 0.00000
698 0.0470 0.00000
699 0.0110 0.00000
700 0.0017 0.00000
701 0.0730 0.00000
702 -0.0400 0.00000
703 0.0135 0.00000
704 0.0159 0.00000
705 0.0087 0.00000
706 0.0839 0.00000
707 0.0555 0.00000
708 0.0205 0.00000
709 0.0110 0.00000
710 -0.0632 0.00000
711 0.0118 0.00000
712 0.0171 0.00000
713 0.0231 0.00000
714 0.0285 0.00000
715 -0.0178 0.00000
716 0.0205 0.00000
717 0.0268 0.00000
718 0.0158 0.00000
719 0.0411 0.00000
720 0.0608 0.00000
721 -0.0926 0.00000
722 0.0157 0.00000
723 -0.0140 0.00000
724 0.0091 0.00000
725 -0.0346 0.00000
726 -0.0258 0.00000
727 -0.0226 0.00000
728 0.0096 0.00000
729 -0.0137 0.00000
730 0.0359 0.00000
731 0.0169 0.00000
732 -0.0258 0.00000
733 -0.0111 0.00000
734 0.0022 0.00000
735 -0.0383 0.00000
736 0.0058 0.00000
737 0.0163 0.00000
738 -0.0384 0.00000
739 0.0267 0.00000
740 0.0270 0.00000
741 0.0260 0.00000
742 0.0125 0.00000
743 0.0369 0.00000
744 -0.0024 0.00000
745 0.0343 0.00000
746 0.0104 0.00000
747 0.0018 0.00000
748 -0.1165 0.00000
749 0.0262 0.00000
750 -0.0190 0.00000
751 -0.0534 0.00000
752 0.0034 0.00000
753 -0.0156 0.00000
754 0.0044 0.00000
755 -0.0693 0.00000
756 0.0163 0.00000
757 -0.0177 0.00000
758 -0.0748 0.00000
759 -0.0291 0.00000
760 -0.0145 0.00000
761 -0.0377 0.00000
762 0.0105 0.00000
763 -0.0544 0.00000
764 -0.0419 0.00000
765 0.0154 0.00000
766 -0.0181 0.00000
767 -0.0145 0.00000
768 0.0006 0.00000
769 -0.0027 0.00000
770 0.0009 0.00000
771 -0.0230 0.00000
772 0.0479 0.00000
773 0.0529 0.00000
774 0.0143 0.00000
775 0.0067 0.00000
776 -0.0319 0.00000
777 -0.0205 0.00000
778 -0.0031 0.00000
779 -0.0073 0.00000
780 -0.0028 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0581 0.00000
5 -0.0813 0.00000
6 -0.0234 0.00000
7 0.0320 0.00000
8 0.0010 0.00000
9 -0.1001 0.00000
10 0.0388 0.00000
11 -0.0342 0.00000
12 0.2592 0.00000
13 -0.0065 0.00000
14 0.0679 0.00000
15 -0.0631 0.00000
16 0.0255 0.00000
17 0.0299 0.00000
18 0.0337 0.00000
19 0.1944 0.00000
20 0.0151 0.00000
21 -0.0539 0.00000
22 0.0074 0.00000
23 -0.0242 0.00000
24 0.0971 0.00000
25 -0.1537 0.00000
26 -0.7045 0.00000
27 -0.9695 0.00000
28 -0.0153 0.00000
29 0.0118 0.00000
30 -0.7862 0.00000
31 0.0368 0.00000
32 0.0957 0.00000
33 -0.0212 0.00000
34 -0.0595 0.00000
35 0.0253 0.00000
36 0.0356 0.00000
37 0.2142 0.00000
38 0.0043 0.00000
39 0.0731 0.00000
40 -0.0009 0.00000
41 -0.0064 0.00000
42 0.0308 0.00000
43 -0.0911 0.00000
44 -0.2310 0.00000
45 -0.1640 0.00000
46 -0.1293 0.00000
47 -0.0096 0.00000
48 0.0848 0.00000
49 -0.0885 0.00000
50 -0.0065 0.00000
51 0.1615 0.00000
52 -0.3146 0.00000
53 0.0230 0.00000
54 0.0851 0.00000
55 -0.2121 0.00000
56 -0.2840 0.00000
57 -0.1063 0.00000
58 -0.0599 0.00000
59 0.0248 0.00000
60 -0.5171 0.00000
61 -0.1445 0.00000
62 -1.3083 0.00000
63 -0.1231 0.00000
64 -0.3859 0.00000
65 -0.1030 0.00000
66 -0.5076 0.00000
67 -0.1702 0.00000
68 -0.0354 0.00000
69 0.0906 0.00000
70 0.1069 0.00000
71 -0.1651 0.00000
72 -0.0255 0.00000
73 0.0564 0.00000
74 0.0407 0.00000
75 -0.1209 0.00000
76 0.5206 0.00000
77 0.1902 0.00000
78 -0.7140 0.00000
79 0.0437 0.00000
80 -0.0070 0.00000
81 -0.4886 0.00000
82 0.6154 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1119 0.00000
90 -0.0288 0.00000
91 -0.0220 0.00000
92 0.0112 0.00000
93 -0.0493 0.00000
94 -0.1388 0.00000
95 0.2047 0.00000
96 0.3405 0.00000
97 -0.0062 0.00000
98 -0.0662 0.00000
99 0.0550 0.00000
100 -0.0945 0.00000
101 -0.0187 0.00000
102 0.0495 0.00000
103 -0.0102 0.00000
104 0.0452 0.00000
105 -0.0513 0.00000
106 -0.0448 0.00000
107 -0.0825 0.00000
108 -0.2130 0.00000
109 -0.1162 0.00000
110 0.0238 0.00000
111 -0.0625 0.00000
112 0.0399 0.00000
113 0.0155 0.00000
114 -0.0045 0.00000
115 -0.1160 0.00000
116 -0.0806 0.00000
117 -0.0804 0.00000
118 0.0612 0.00000
119 -0.0168 0.00000
120 -0.0109 0.00000
121 0.0909 0.00000
122 -0.0385 0.00000
123 -0.0365 0.00000
124 1.1421 0.00000
125 0.0615 0.00000
126 -0.0632 0.00000
127 -0.0556 0.00000
128 -0.0183 0.00000
129 1.0853 0.00000
130 -0.0344 0.00000
131 0.0263 0.00000
132 -0.0387 0.00000
133 -0.0833 0.00000
134 -0.0313 0.00000
135 -0.0017 0.00000
136 -0.0340 0.00000
137 -0.1659 0.00000
138 -0.1345 0.00000
139 0.0658 0.00000
140 -0.0064 0.00000
141 -0.0088 0.00000
142 -0.0932 0.00000
143 0.0432 0.00000
144 -0.0034 0.00000
145 -0.0529 0.00000
146 -0.0985 0.00000
147 -0.0232 0.00000
148 0.0187 0.00000
149 -0.0527 0.00000
150 0.0036 0.00000
151 -0.0118 0.00000
152 0.3836 0.00000
153 -0.0228 0.00000
154 -0.2792 0.00000
155 -0.0189 0.00000
156 -0.0389 0.00000
157 -0.1041 0.00000
158 -0.1325 0.00000
159 -0.2040 0.00000
160 -0.1913 0.00000
161 0.1222 0.00000
162 -0.0152 0.00000
163 -0.0195 0.00000
164 0.0200 0.00000
165 0.0334 0.00000
166 0.0235 0.00000
167 -0.6589 0.00000
168 -0.0018 0.00000
169 0.0487 0.00000
170 0.0300 0.00000
171 0.0342 0.00000
172 -0.0494 0.00000
173 -0.0635 0.00000
174 -0.0399 0.00000
175 -0.0502 0.00000
176 -0.0043 0.00000
177 -0.0498 0.00000
178 -0.0849 0.00000
179 0.0632 0.00000
180 0.0155 0.00000
181 -0.3017 0.00000
182 -0.0611 0.00000
183 -0.0303 0.00000
184 -0.2233 0.00000
185 -0.1782 0.00000
186 -0.1483 0.00000
187 0.1640 0.00000
188 -0.0069 0.00000
189 -0.0176 0.00000
190 0.0448 0.00000
191 -0.0987 0.00000
192 -0.0156 0.00000
193 0.0828 0.00000
194 -0.3605 0.00000
195 -0.2724 0.00000
196 -0.0816 0.00000
197 -0.0110 0.00000
198 -0.4509 0.00000
199 -0.1812 0.00000
200 -0.0152 0.00000
201 -0.1559 0.00000
202 -0.0434 0.00000
203 -0.2505 0.00000
204 -0.0022 0.00000
205 -0.0289 0.00000
206 0.0046 0.00000
207 -0.1003 0.00000
208 -0.0201 0.00000
209 0.0997 0.00000
210 0.0140 0.00000
211 -0.0519 0.00000
212 -0.0151 0.00000
213 0.0483 0.00000
214 0.0155 0.00000
215 0.2277 0.00000
216 -0.1294 0.00000
217 -0.1477 0.00000
218 -0.0096 0.00000
219 0.1094 0.00000
220 0.0517 0.00000
221 0.0452 0.00000
222 0.1093 0.00000
223 -0.0239 0.00000
224 0.1163 0.00000
225 -0.1673 0.00000
226 -0.0669 0.00000
227 0.0051 0.00000
228 0.0341 0.00000
229 -0.0558 0.00000
230 0.2868 0.00000
231 0.0003 0.00000
232 -0.0029 0.00000
233 -0.0288 0.00000
234 -0.0969 0.00000
235 -0.1512 0.00000
236 0.0295 0.00000
237 -0.0331 0.00000
238 -0.2534 0.00000
239 0.0611 0.00000
240 -0.0362 0.00000
241 0.0207 0.00000
242 0.0052 0.00000
243 -0.0948 0.00000
244 0.0384 0.00000
245 0.0583 0.00000
246 0.0311 0.00000
247 -0.0100 0.00000
248 -0.0263 0.00000
249 0.0298 0.00000
250 -0.0659 0.00000
251 -0.0430 0.00000
252 -0.1001 0.00000
253 0.0069 0.00000
254 -0.0618 0.00000
255 -0.0406 0.00000
256 0.0011 0.00000
257 -0.0296 0.00000
258 0.0308 0.00000
259 0.1001 0.00000
260 0.2743 0.00000
261 0.0780 0.00000
262 0.0382 0.00000
263 0.0400 0.00000
264 0.1048 0.00000
265 0.0180 0.00000
266 0.0103 0.00000
267 0.0251 0.00000
268 -0.0469 0.00000
269 -0.0695 0.00000
270 -0.0495 0.00000
271 0.0329 0.00000
272 0.0081 0.00000
273 0.0157 0.00000
274 -0.0446 0.00000
275 -0.0335 0.00000
276 0.0023 0.00000
277 -0.0040 0.00000
278 -0.0706 0.00000
279 -0.0133 0.00000
280 -0.0691 0.00000
281 0.0405 0.00000
282 -0.0260 0.00000
283 0.0143 0.00000
284 -0.0355 0.00000
285 -0.0609 0.00000
286 0.0361 0.00000
287 0.0328 0.00000
288 -0.0368 0.00000
289 -0.0205 0.00000
290 0.0024 0.00000
291 0.0251 0.00000
292 -0.0357 0.00000
293 0.0164 0.00000
294 -0.0010 0.00000
295 -0.1055 0.00000
296 -0.0451 0.00000
297 -0.0677 0.00000
298 0.0541 0.00000
299 0.0365 0.00000
300 0.0191 0.00000
301 0.0907 0.00000
302 0.1855 0.00000
303 0.0056 0.00000
304 -0.0443 0.00000
305 -0.0017 0.00000
306 0.1144 0.00000
307 -0.0154 0.00000
308 0.1108 0.00000
309 0.1483 0.00000
310 0.0210 0.00000
311 -0.0226 0.00000
312 -0.0066 0.00000
313 -0.0422 0.00000
314 0.0251 0.00000
315 0.0933 0.00000
316 -0.0095 0.00000
317 -0.0125 0.00000
318 0.0089 0.00000
319 0.0121 0.00000
320 -0.0024 0.00000
321 -0.0205 0.00000
322 -0.1790 0.00000
323 -0.0360 0.00000
324 -0.0537 0.00000
325 0.0170 0.00000
326 0.0538 0.00000
327 0.0158 0.00000
328 -0.0645 0.00000
329 -0.0120 0.00000
330 -0.0119 0.00000
331 -0.0369 0.00000
332 0.0041 0.00000
333 -0.0078 0.00000
334 -0.0667 0.00000
335 -0.0290 0.00000
336 -0.0267 0.00000
337 0.0105 0.00000
338 -0.1376 0.00000
339 -0.0930 0.00000
340 -0.0147 0.00000
341 -0.0026 0.00000
342 0.0036 0.00000
343 0.0142 0.00000
344 -0.0227 0.00000
345 0.0478 0.00000
346 0.0099 0.00000
347 0.0484 0.00000
348 -0.0558 0.00000
349 -0.0362 0.00000
350 -0.1281 0.00000
351 -0.0062 0.00000
352 -0.0453 0.00000
353 -0.0643 0.00000
354 -0.0362 0.00000
355 0.0209 0.00000
356 -0.0399 0.00000
357 0.0305 0.00000
358 -0.0237 0.00000
359 0.0519 0.00000
360 0.0079 0.00000
361 -0.0899 0.00000
362 0.0856 0.00000
363 -0.0447 0.00000
364 0.0074 0.00000
365 -0.0597 0.00000
366 -0.0031 0.00000
367 -0.0259 0.00000
368 -0.0278 0.00000
369 -0.0428 0.00000
370 0.0250 0.00000
371 -0.0698 0.00000
372 -0.0747 0.00000
373 -0.0235 0.00000
374 -0.0204 0.00000
375 -0.1242 0.00000
376 0.0353 0.00000
377 -0.0390 0.00000
378 -0.0597 0.00000
379 -0.0375 0.00000
380 -0.0524 0.00000
381 -0.0614 0.00000
382 -0.0580 0.00000
383 -0.0728 0.00000
384 -0.0607 0.00000
385 -0.0181 0.00000
386 -0.0610 0.00000
387 -0.0149 0.00000
388 -0.0495 0.00000
389 0.0129 0.00000
390 -0.1140 0.00000
391 0.0012 0.00000
392 -0.0214 0.00000
393 -0.0647 0.00000
394 -0.0654 0.00000
395 0.0144 0.00000
396 -0.0674 0.00000
397 -0.0161 0.00000
398 0.0035 0.00000
399 -0.0905 0.00000
400 -0.0374 0.00000
401 -0.0217 0.00000
402 -0.0815 0.00000
403 -0.0117 0.00000
404 -0.0690 0.00000
405 -0.1769 0.00000
406 0.0558 0.00000
407 -0.0058 0.00000
408 -0.2006 0.00000
409 -0.0261 0.00000
410 -0.1584 0.00000
411 -0.2801 0.00000
412 -0.0321 0.00000
413 -0.0230 0.00000
414 -0.0564 0.00000
415 0.0265 0.00000
416 -0.1534 0.00000
417 -0.0332 0.00000
418 -0.0583 0.00000
419 0.1358 0.00000
420 -0.0396 0.00000
421 -0.1507 0.00000
422 -0.0662 0.00000
423 -0.0308 0.00000
424 0.0527 0.00000
425 -0.0239 0.00000
426 -0.0312 0.00000
427 -0.0768 0.00000
428 -0.0061 0.00000
429 -0.1688 0.00000
430 -0.1056 0.00000
431 -0.0231 0.00000
432 -0.0134 0.00000
433 -0.0331 0.00000
434 -0.0148 0.00000
435 0.0257 0.00000
436 -0.0013 0.00000
437 0.0765 0.00000
438 0.0099 0.00000
439 0.0230 0.00000
440 0.0776 0.00000
441 -0.2358 0.00000
442 -0.0465 0.00000
443 -0.0521 0.00000
444 -0.0255 0.00000
445 -0.0420 0.00000
446 -0.0283 0.00000
447 -0.0745 0.00000
448 -0.0203 0.00000
449 -0.1578 0.00000
450 -0.0368 0.00000
451 -0.0701 0.00000
452 0.0312 0.00000
453 -0.0706 0.00000
454 0.0155 0.00000
455 0.0413 0.00000
456 -0.2249 0.00000
457 -0.0463 0.00000
458 -0.0357 0.00000
459 -0.0217 0.00000
460 -0.0265 0.00000
461 -0.0531 0.00000
462 -0.0028 0.00000
463 -0.0635 0.00000
464 -0.0092 0.00000
465 -0.0510 0.00000
466 -0.0154 0.00000
467 -0.0397 0.00000
468 -0.1091 0.00000
469 -0.0962 0.00000
470 -0.0033 0.00000
471 0.0036 0.00000
472 -0.0347 0.00000
473 -0.1003 0.00000
474 -0.0121 0.00000
475 0.0329 0.00000
476 -0.0604 0.00000
477 -0.0846 0.00000
478 0.0629 0.00000
479 0.0390 0.00000
480 -0.0022 0.00000
481 0.0133 0.00000
482 0.0870 0.00000
483 -0.3199 0.00000
484 0.0244 0.00000
485 -0.0039 0.00000
486 0.0184 0.00000
487 0.0143 0.00000
488 -0.0072 0.00000
489 -0.0572 0.00000
490 -0.0352 0.00000
491 -0.0297 0.00000
492 0.0410 0.00000
493 0.0527 0.00000
494 0.0410 0.00000
495 -0.0100 0.00000
496 0.1140 0.00000
497 0.0022 0.00000
498 0.0171 0.00000
499 -0.0314 0.00000
500 0.0244 0.00000
501 0.0258 0.00000
502 0.0444 0.00000
503 0.0558 0.00000
504 0.0001 0.00000
505 -0.0430 0.00000
506 0.0219 0.00000
507 0.0098 0.00000
508 0.0163 0.00000
509 0.0728 0.00000
510 -0.0348 0.00000
511 0.0440 0.00000
512 0.0690 0.00000
513 0.0766 0.00000
514 0.0318 0.00000
515 -0.0123 0.00000
516 0.0745 0.00000
517 -0.0756 0.00000
518 0.0087 0.00000
519 -0.0398 0.00000
520 0.0210 0.00000
521 0.0790 0.00000
522 0.0235 0.00000
523 -0.0641 0.00000
524 0.0060 0.00000
525 -0.1120 0.00000
526 -0.0257 0.00000
527 -0.0181 0.00000
528 0.0622 0.00000
529 0.0324 0.00000
530 -0.0215 0.00000
531 -0.0162 0.00000
532 -0.1507 0.00000
533 -0.0446 0.00000
534 -0.0173 0.00000
535 -0.0243 0.00000
536 0.0080 0.00000
537 -0.0641 0.00000
538 -0.0543 0.00000
539 -0.0195 0.00000
540 -0.0237 0.00000
541 -0.0488 0.00000
542 -0.0669 0.00000
543 -0.1109 0.00000
544 -0.0681 0.00000
545 -0.0292 0.00000
546 -0.0419 0.00000
547 -0.0101 0.00000
548 -0.0127 0.00000
549 -0.0127 0.00000
550 0.0226 0.00000
551 0.0942 0.00000
552 -0.0047 0.00000
553 -0.0039 0.00000
554 0.1187 0.00000
555 0.0307 0.00000
556 -0.0376 0.00000
557 -0.0649 0.00000
558 -0.0386 0.00000
559 -0.0084 0.00000
560 -0.0062 0.00000
561 -0.0160 0.00000
562 0.0667 0.00000
563 0.0346 0.00000
564 -0.0554 0.00000
565 -0.0664 0.00000
566 0.0233 0.00000
567 0.0383 0.00000
568 -0.1387 0.00000
569 -0.0811 0.00000
570 -0.0127 0.00000
571 -0.0486 0.00000
572 -0.0796 0.00000
573 0.3584 0.00000
574 0.0356 0.00000
575 0.0292 0.00000
576 0.0476 0.00000
577 -0.0117 0.00000
578 -0.0266 0.00000
579 -0.2766 0.00000
580 0.0906 0.00000
581 -0.0141 0.00000
582 -0.1046 0.00000
583 -0.0005 0.00000
584 -0.1805 0.00000
585 -0.0818 0.00000
586 0.0110 0.00000
587 0.1318 0.00000
588 -0.0621 0.00000
589 0.0609 0.00000
590 -0.1048 0.00000
591 -0.0177 0.00000
592 -0.0220 0.00000
593 0.0186 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0288 0.00000
597 0.0197 0.00000
598 0.0932 0.00000
599 0.2960 0.00000
600 0.0209 0.00000
601 0.0679 0.00000
602 0.1013 0.00000
603 -0.0075 0.00000
604 0.0323 0.00000
605 0.0805 0.00000
606 0.0113 0.00000
607 0.0611 0.00000
608 0.0300 0.00000
609 0.0705 0.00000
610 -0.0200 0.00000
611 -0.1246 0.00000
612 0.0113 0.00000
613 0.0298 0.00000
614 0.0084 0.00000
615 0.0273 0.00000
616 0.0823 0.00000
617 0.0506 0.00000
618 -0.0134 0.00000
619 -0.0911 0.00000
620 0.0334 0.00000
621 0.0065 0.00000
622 0.0544 0.00000
623 0.0772 0.00000
624 -0.0428 0.00000
625 0.0934 0.00000
626 0.0118 0.00000
627 0.0236 0.00000
628 -0.0209 0.00000
629 0.0169 0.00000
630 -0.0185 0.00000
631 -0.0010 0.00000
632 -0.0285 0.00000
633 -0.0311 0.00000
634 0.1046 0.00000
635 0.0133 0.00000
636 0.0280 0.00000
637 -0.0166 0.00000
638 0.0453 0.00000
639 -0.0045 0.00000
640 -0.0165 0.00000
641 -0.0760 0.00000
642 0.0365 0.00000
643 0.0085 0.00000
644 0.0752 0.00000
645 0.0666 0.00000
646 0.0011 0.00000
647 0.0070 0.00000
648 0.0624 0.00000
649 0.0612 0.00000
650 -0.0103 0.00000
651 -0.0033 0.00000
652 -0.0290 0.00000
653 0.0232 0.00000
654 -0.0129 0.00000
655 0.1099 0.00000
656 0.0072 0.00000
657 -0.0198 0.00000
658 0.0618 0.00000
659 -0.0484 0.00000
660 -0.0276 0.00000
661 0.1024 0.00000
662 0.0149 0.00000
663 0.0986 0.00000
664 0.0756 0.00000
665 0.0035 0.00000
666 0.0270 0.00000
667 0.0210 0.00000
668 -0.0238 0.00000
669 0.0292 0.00000
670 0.0596 0.00000
671 0.0358 0.00000
672 0.0043 0.00000
673 -0.0230 0.00000
674 0.0588 0.00000
675 0.0480 0.00000
676 -0.0196 0.00000
677 0.0229 0.00000
678 0.0516 0.00000
679 -0.0001 0.00000
680 0.0082 0.00000
681 -0.0188 0.00000
682 -0.0031 0.00000
683 0.0803 0.00000
684 0.0518 0.00000
685 0.0015 0.00000
686 -0.0398 0.00000
687 0.0977 0.00000
688 -0.0283 0.00000
689 0.0757 0.00000
690 -0.0377 0.00000
691 0.0774 0.00000
692 0.0415 0.00000
693 0.0744 0.00000
694 0.0427 0.00000
695 0.0839 0.00000
696 0.0210 0.00000
697 0.0226 0.00000
698 0.0699 0.00000
699 0.0242 0.00000
700 0.1145 0.00000
701 0.1538 0.00000
702 0.0302 0.00000
703 -0.0014 0.00000
704 0.0511 0.00000
705 0.0230 0.00000
706 0.0329 0.00000
707 -0.0034 0.00000
708 0.1069 0.00000
709 0.0690 0.00000
710 0.0039 0.00000
711 0.0201 0.00000
712 0.0728 0.00000
713 0.0260 0.00000
714 -0.0389 0.00000
715 0.0352 0.00000
716 0.0116 0.00000
717 -0.0363 0.00000
718 0.0397 0.00000
719 -0.0156 0.00000
720 0.0006 0.00000
721 -0.0483 0.00000
722 -0.0946 0.00000
723 0.0458 0.00000
724 -0.0140 0.00000
725 0.0585 0.00000
726 0.0548 0.00000
727 0.0147 0.00000
728 0.0384 0.00000
729 0.0572 0.00000
730 -0.0186 0.00000
731 0.0083 0.00000
732 -0.0475 0.00000
733 0.0103 0.00000
734 -0.0637 0.00000
735 -0.0658 0.00000
736 -0.0254 0.00000
737 0.0494 0.00000
738 -0.0198 0.00000
739 0.0133 0.00000
740 0.0031 0.00000
741 0.0006 0.00000
742 -0.0461 0.00000
743 -0.0063 0.00000
744 -0.0170 0.00000
745 0.0020 0.00000
746 0.0056 0.00000
747 0.0036 0.00000
748 0.0125 0.00000
749 -0.0149 0.00000
750 -0.0417 0.00000
751 0.0218 0.00000
752 0.0077 0.00000
753 -0.0169 0.00000
754 0.0041 0.00000
755 0.0257 0.00000
756 -0.0137 0.00000
757 0.0340 0.00000
758 -0.0378 0.00000
759 -0.0072 0.00000
760 0.0190 0.00000
761 -0.0646 0.00000
762 0.0133 0.00000
763 -0.0294 0.00000
764 -0.0228 0.00000
765 0.0447 0.00000
766 -0.0393 0.00000
767 -0.0178 0.00000
768 0.0048 0.00000
769 0.0045 0.00000
770 0.0005 0.00000
771 -0.0143 0.00000
772 0.0071 0.00000
773 -0.0793 0.00000
774 -0.0716 0.00000
775 -0.0258 0.00000
776 -0.0104 0.00000
777 0.0189 0.00000
778 -0.0132 0.00000
779 -0.0434 0.00000
780 0.0133 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0575 0.00000
5 -0.0822 0.00000
6 -0.0231 0.00000
7 0.0322 0.00000
8 0.0015 0.00000
9 -0.1007 0.00000
10 0.0378 0.00000
11 -0.0342 0.00000
12 0.2601 0.00000
13 -0.0062 0.00000
14 0.0677 0.00000
15 -0.0633 0.00000
16 0.0205 0.00000
17 0.0992 0.00000
18 -0.0181 0.00000
19 0.2015 0.00000
20 -0.0181 0.00000
21 -0.0538 0.00000
22 0.0088 0.00000
23 -0.0304 0.00000
24 0.1014 0.00000
25 -0.0483 0.00000
26 -0.9103 0.00000
27 -0.8439 0.00000
28 -0.0133 0.00000
29 -0.0352 0.00000
30 -0.7893 0.00000
31 0.0558 0.00000
32 0.0971 0.00000
33 -0.0250 0.00000
34 -0.0461 0.00000
35 0.0151 0.00000
36 0.1545 0.00000
37 0.0194 0.00000
38 0.0493 0.00000
39 0.1608 0.00000
40 -0.0274 0.00000
41 -0.0059 0.00000
42 -0.0229 0.00000
43 -0.0903 0.00000
44 -0.4035 0.00000
45 0.0348 0.00000
46 0.0651 0.00000
47 -0.1665 0.00000
48 0.0738 0.00000
49 -0.1148 0.00000
50 -0.1910 0.00000
51 0.1648 0.00000
52 -0.1108 0.00000
53 0.0439 0.00000
54 -0.1536 0.00000
55 0.0273 0.00000
56 -0.2622 0.00000
57 -0.1073 0.00000
58 -0.0550 0.00000
59 -0.4348 0.00000
60 -0.1241 0.00000
61 -0.7882 0.00000
62 0.0376 0.00000
63 -0.7088 0.00000
64 -0.4155 0.00000
65 -0.0897 0.00000
66 -0.5398 0.00000
67 -0.1285 0.00000
68 -0.1106 0.00000
69 0.0662 0.00000
70 -0.0666 0.00000
71 0.0032 0.00000
72 -0.0252 0.00000
73 0.0638 0.00000
74 0.0363 0.00000
75 -0.0971 0.00000
76 0.4895 0.00000
77 0.1866 0.00000
78 -0.0047 0.00000
79 -0.6523 0.00000
80 -0.0084 0.00000
81 -0.4879 0.00000
82 0.6148 0.00000
83 0.0876 0.00000
84 0.1045 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1137 0.00000
90 -0.0294 0.00000
91 -0.0207 0.00000
92 -0.0007 0.00000
93 -0.0560 0.00000
94 -0.1466 0.00000
95 0.2394 0.00000
96 0.3233 0.00000
97 -0.0022 0.00000
98 -0.0067 0.00000
99 0.0370 0.00000
100 -0.1016 0.00000
101 -0.0565 0.00000
102 0.0505 0.00000
103 -0.0475 0.00000
104 0.0795 0.00000
105 -0.0198 0.00000
106 -0.0607 0.00000
107 -0.1959 0.00000
108 0.0394 0.00000
109 -0.2580 0.00000
110 -0.0249 0.00000
111 -0.0303 0.00000
112 0.0497 0.00000
113 0.0396 0.00000
114 -0.0676 0.00000
115 -0.0702 0.00000
116 -0.0742 0.00000
117 -0.1034 0.00000
118 0.0815 0.00000
119 -0.0167 0.00000
120 0.0177 0.00000
121 0.0132 0.00000
122 -0.0173 0.00000
123 0.1731 0.00000
124 0.8512 0.00000
125 0.1520 0.00000
126 -0.0757 0.00000
127 -0.0648 0.00000
128 0.0004 0.00000
129 1.0027 0.00000
130 0.0820 0.00000
131 0.0618 0.00000
132 -0.0855 0.00000
133 -0.1006 0.00000
134 -0.0275 0.00000
135 -0.0024 0.00000
136 -0.0346 0.00000
137 -0.1587 0.00000
138 -0.1350 0.00000
139 0.0522 0.00000
140 0.0090 0.00000
141 -0.0085 0.00000
142 -0.0937 0.00000
143 0.0319 0.00000
144 0.0082 0.00000
145 -0.0572 0.00000
146 -0.0991 0.00000
147 -0.0215 0.00000
148 0.0233 0.00000
149 -0.0576 0.00000
150 0.0033 0.00000
151 0.0321 0.00000
152 0.2162 0.00000
153 -0.0214 0.00000
154 -0.0779 0.00000
155 0.0568 0.00000
156 0.0957 0.00000
157 -0.3748 0.00000
158 0.0449 0.00000
159 -0.5537 0.00000
160 -0.0116 0.00000
161 -0.0302 0.00000
162 0.0168 0.00000
163 -0.0416 0.00000
164 -0.0141 0.00000
165 -0.0085 0.00000
166 -0.4514 0.00000
167 0.0849 0.00000
168 0.0048 0.00000
169 0.0549 0.00000
170 -0.0152 0.00000
171 -0.0709 0.00000
172 0.0370 0.00000
173 -0.0320 0.00000
174 -0.0019 0.00000
175 -0.0061 0.00000
176 -0.0436 0.00000
177 -0.1657 0.00000
178 -0.0509 0.00000
179 -0.0980 0.00000
180 0.0114 0.00000
181 -0.1757 0.00000
182 -0.0201 0.00000
183 -0.3389 0.00000
184 -0.0328 0.00000
185 -0.0603 0.00000
186 -0.0004 0.00000
187 0.1218 0.00000
188 -0.0675 0.00000
189 0.0763 0.00000
190 -0.0173 0.00000
191 -0.0894 0.00000
192 -0.0484 0.00000
193 -0.2692 0.00000
194 -0.3893 0.00000
195 0.0253 0.00000
196 -0.2205 0.00000
197 -0.0180 0.00000
198 -0.3097 0.00000
199 -0.0238 0.00000
200 -0.0348 0.00000
201 -0.2945 0.00000
202 -0.1336 0.00000
203 0.0320 0.00000
204 -0.1247 0.00000
205 -0.0793 0.00000
206 -0.0802 0.00000
207 -0.0086 0.00000
208 0.0021 0.00000
209 0.0562 0.00000
210 0.0297 0.00000
211 -0.0569 0.00000
212 0.0966 0.00000
213 -0.0231 0.00000
214 0.0490 0.00000
215 0.0874 0.00000
216 -0.2205 0.00000
217 0.2155 0.00000
218 -0.0653 0.00000
219 0.0134 0.00000
220 -0.0816 0.00000
221 0.0041 0.00000
222 0.2009 0.00000
223 -0.0011 0.00000
224 0.0437 0.00000
225 -0.1884 0.00000
226 0.0213 0.00000
227 0.0208 0.00000
228 0.0601 0.00000
229 -0.0509 0.00000
230 0.2490 0.00000
231 0.0012 0.00000
232 -0.0262 0.00000
233 -0.0071 0.00000
234 -0.0854 0.00000
235 -0.1917 0.00000
236 0.0193 0.00000
237 -0.0537 0.00000
238 -0.1076 0.00000
239 -0.0295 0.00000
240 0.0175 0.00000
241 -0.0725 0.00000
242 0.0123 0.00000
243 -0.0339 0.00000
244 0.0445 0.00000
245 0.0522 0.00000
246 0.0330 0.00000
247 -0.0446 0.00000
248 -0.0569 0.00000
249 0.0274 0.00000
250 0.0417 0.00000
251 -0.1231 0.00000
252 -0.0302 0.00000
253 -0.0774 0.00000
254 -0.0332 0.00000
255 -0.0501 0.00000
256 -0.0036 0.00000
257 -0.1090 0.00000
258 0.1168 0.00000
259 0.1323 0.00000
260 0.1844 0.00000
261 0.0215 0.00000
262 0.1211 0.00000
263 0.1350 0.00000
264 0.0333 0.00000
265 0.0007 0.00000
266 0.0072 0.00000
267 0.0557 0.00000
268 -0.0409 0.00000
269 -0.0219 0.00000
270 0.0472 0.00000
271 -0.0027 0.00000
272 -0.0373 0.00000
273 0.0505 0.00000
274 -0.0769 0.00000
275 0.0151 0.00000
276 -0.0701 0.00000
277 -0.1087 0.00000
278 -0.0202 0.00000
279 -0.0423 0.00000
280 -0.0128 0.00000
281 -0.0370 0.00000
282 -0.0137 0.00000
283 -0.0681 0.00000
284 0.0247 0.00000
285 0.0259 0.00000
286 -0.0969 0.00000
287 0.0013 0.00000
288 0.0584 0.00000
289 0.0040 0.00000
290 -0.0651 0.00000
291 0.0168 0.00000
292 -0.0572 0.00000
293 0.0081 0.00000
294 0.0355 0.00000
295 0.0104 0.00000
296 -0.0043 0.00000
297 -0.0276 0.00000
298 -0.0660 0.00000
299 0.0654 0.00000
300 -0.0062 0.00000
301 0.1018 0.00000
302 0.0669 0.00000
303 0.1687 0.00000
304 -0.0570 0.00000
305 -0.0088 0.00000
306 0.2413 0.00000
307 0.0393 0.00000
308 -0.0664 0.00000
309 0.0145 0.00000
310 0.0060 0.00000
311 0.0810 0.00000
312 0.0181 0.00000
313 -0.0737 0.00000
314 0.1910 0.00000
315 -0.1241 0.00000
316 0.0652 0.00000
317 0.0601 0.00000
318 0.0411 0.00000
319 0.0669 0.00000
320 -0.1601 0.00000
321 0.0194 0.00000
322 -0.1479 0.00000
323 0.0020 0.00000
324 -0.0263 0.00000
325 -0.0442 0.00000
326 -0.0839 0.00000
327 -0.0468 0.00000
328 -0.0238 0.00000
329 -0.0138 0.00000
330 -0.1344 0.00000
331 0.0183 0.00000
332 0.0393 0.00000
333 0.0518 0.00000
334 -0.0036 0.00000
335 -0.0227 0.00000
336 -0.0306 0.00000
337 -0.1211 0.00000
338 -0.0874 0.00000
339 -0.0365 0.00000
340 -0.0100 0.00000
341 -0.0015 0.00000
342 -0.0461 0.00000
343 0.0576 0.00000
344 0.0315 0.00000
345 0.0670 0.00000
346 -0.0350 0.00000
347 0.0599 0.00000
348 -0.0163 0.00000
349 -0.0278 0.00000
350 -0.1618 0.00000
351 -0.0282 0.00000
352 0.0149 0.00000
353 -0.0256 0.00000
354 0.0121 0.00000
355 -0.0391 0.00000
356 0.0302 0.00000
357 0.0002 0.00000
358 -0.0050 0.00000
359 0.0217 0.00000
360 -0.0269 0.00000
361 -0.0181 0.00000
362 -0.0421 0.00000
363 -0.0630 0.00000
364 -0.0294 0.00000
365 -0.0162 0.00000
366 -0.0630 0.00000
367 -0.0072 0.00000
368 -0.0034 0.00000
369 0.0028 0.00000
370 -0.0369 0.00000
371 0.0205 0.00000
372 -0.0467 0.00000
373 -0.1515 0.00000
374 -0.0641 0.00000
375 -0.0400 0.00000
376 -0.0390 0.00000
377 -0.1158 0.00000
378 -0.0695 0.00000
379 -0.0429 0.00000
380 0.0092 0.00000
381 -0.0221 0.00000
382 -0.0433 0.00000
383 -0.0642 0.00000
384 -0.1666 0.00000
385 -0.0131 0.00000
386 0.0136 0.00000
387 -0.0351 0.00000
388 -0.0449 0.00000
389 0.0013 0.00000
390 -0.0354 0.00000
391 0.0194 0.00000
392 -0.1371 0.00000
393 0.0355 0.00000
394 -0.1644 0.00000
395 0.0205 0.00000
396 0.0110 0.00000
397 0.0097 0.00000
398 -0.0182 0.00000
399 -0.0131 0.00000
400 -0.0213 0.00000
401 -0.0010 0.00000
402 -0.0111 0.00000
403 -0.1387 0.00000
404 -0.0680 0.00000
405 0.0362 0.00000
406 -0.1642 0.00000
407 -0.2803 0.00000
408 -0.0351 0.00000
409 -0.0383 0.00000
410 -0.1748 0.00000
411 -0.1020 0.00000
412 -0.1101 0.00000
413 0.0022 0.00000
414 -0.0282 0.00000
415 -0.1317 0.00000
416 -0.0156 0.00000
417 -0.0260 0.00000
418 0.2321 0.00000
419 -0.1434 0.00000
420 -0.1816 0.00000
421 -0.0259 0.00000
422 -0.1191 0.00000
423 -0.0358 0.00000
424 -0.0326 0.00000
425 -0.0411 0.00000
426 -0.0237 0.00000
427 0.0107 0.00000
428 -0.0737 0.00000
429 -0.0197 0.00000
430 -0.1253 0.00000
431 -0.0191 0.00000
432 -0.0409 0.00000
433 -0.1035 0.00000
434 0.0296 0.00000
435 0.0078 0.00000
436 0.0703 0.00000
437 0.0050 0.00000
438 -0.0183 0.00000
439 -0.0621 0.00000
440 0.0512 0.00000
441 -0.0682 0.00000
442 -0.0036 0.00000
443 -0.0604 0.00000
444 -0.0991 0.00000
445 -0.0880 0.00000
446 0.0479 0.00000
447 0.0369 0.00000
448 -0.1276 0.00000
449 -0.0407 0.00000
450 -0.2335 0.00000
451 -0.0458 0.00000
452 0.0424 0.00000
453 0.0400 0.00000
454 -0.0019 0.00000
455 -0.0537 0.00000
456 0.0474 0.00000
457 -0.0374 0.00000
458 -0.1229 0.00000
459 -0.0547 0.00000
460 -0.0142 0.00000
461 0.0212 0.00000
462 -0.1106 0.00000
463 -0.0173 0.00000
464 -0.0712 0.00000
465 -0.1030 0.00000
466 -0.0848 0.00000
467 -0.0798 0.00000
468 -0.1120 0.00000
469 0.0601 0.00000
470 -0.1424 0.00000
471 0.0157 0.00000
472 -0.0242 0.00000
473 0.0345 0.00000
474 -0.0314 0.00000
475 -0.0506 0.00000
476 -0.0511 0.00000
477 -0.0118 0.00000
478 -0.1175 0.00000
479 -0.0119 0.00000
480 0.0135 0.00000
481 0.0191 0.00000
482 -0.0280 0.00000
483 -0.0320 0.00000
484 0.0176 0.00000
485 0.0330 0.00000
486 -0.0885 0.00000
487 -0.0192 0.00000
488 -0.0446 0.00000
489 -0.0247 0.00000
490 0.0756 0.00000
491 0.1077 0.00000
492 -0.0058 0.00000
493 0.0250 0.00000
494 0.0831 0.00000
495 0.0492 0.00000
496 0.0511 0.00000
497 0.0037 0.00000
498 0.0186 0.00000
499 0.0009 0.00000
500 -0.0155 0.00000
501 -0.0301 0.00000
502 0.0566 0.00000
503 0.0458 0.00000
504 0.0192 0.00000
505 0.0855 0.00000
506 -0.0139 0.00000
507 -0.0145 0.00000
508 0.0063 0.00000
509 -0.0488 0.00000
510 -0.0670 0.00000
511 -0.0083 0.00000
512 0.0204 0.00000
513 0.0141 0.00000
514 0.0292 0.00000
515 -0.0305 0.00000
516 0.1071 0.00000
517 0.0633 0.00000
518 -0.0175 0.00000
519 -0.0816 0.00000
520 -0.0323 0.00000
521 0.0479 0.00000
522 0.0660 0.00000
523 0.0115 0.00000
524 -0.0540 0.00000
525 0.0729 0.00000
526 -0.0307 0.00000
527 0.0187 0.00000
528 -0.0592 0.00000
529 0.0883 0.00000
530 -0.0776 0.00000
531 -0.0879 0.00000
532 -0.0262 0.00000
533 -0.0743 0.00000
534 -0.0624 0.00000
535 -0.0507 0.00000
536 0.0693 0.00000
537 -0.0647 0.00000
538 -0.0638 0.00000
539 -0.0164 0.00000
540 -0.0320 0.00000
541 0.0219 0.00000
542 -0.0009 0.00000
543 0.0082 0.00000
544 0.0503 0.00000
545 -0.1251 0.00000
546 -0.0739 0.00000
547 -0.0256 0.00000
548 -0.1612 0.00000
549 0.0198 0.00000
550 0.0389 0.00000
551 -0.0812 0.00000
552 0.0525 0.00000
553 0.0308 0.00000
554 0.0062 0.00000
555 -0.0542 0.00000
556 0.0899 0.00000
557 0.0785 0.00000
558 -0.0096 0.00000
559 -0.0047 0.00000
560 -0.0543 0.00000
561 -0.1306 0.00000
562 0.1436 0.00000
563 -0.0439 0.00000
564 -0.0698 0.00000
565 -0.0705 0.00000
566 -0.0170 0.00000
567 0.0346 0.00000
568 0.0236 0.00000
569 -0.0855 0.00000
570 -0.1701 0.00000
571 0.0465 0.00000
572 0.1006 0.00000
573 -0.0156 0.00000
574 0.0224 0.00000
575 0.0651 0.00000
576 0.1406 0.00000
577 0.0388 0.00000
578 -0.1185 0.00000
579 -0.1498 0.00000
580 0.1562 0.00000
581 -0.2291 0.00000
582 0.0418 0.00000
583 0.0056 0.00000
584 -0.1775 0.00000
585 -0.0777 0.00000
586 -0.0089 0.00000
587 0.1503 0.00000
588 -0.0706 0.00000
589 0.0602 0.00000
590 -0.1526 0.00000
591 0.0356 0.00000
592 -0.0314 0.00000
593 0.0239 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0287 0.00000
597 0.0193 0.00000
598 0.0537 0.00000
599 0.3693 0.00000
600 0.0744 0.00000
601 0.0836 0.00000
602 -0.0361 0.00000
603 0.0252 0.00000
604 0.0597 0.00000
605 0.0089 0.00000
606 0.0058 0.00000
607 0.0749 0.00000
608 -0.0011 0.00000
609 -0.0220 0.00000
610 -0.0186 0.00000
611 0.0092 0.00000
612 0.1009 0.00000
613 0.0182 0.00000
614 0.0642 0.00000
615 0.0194 0.00000
616 -0.0317 0.00000
617 -0.0503 0.00000
618 -0.0294 0.00000
619 0.0991 0.00000
620 -0.0001 0.00000
621 -0.0288 0.00000
622 0.0339 0.00000
623 -0.0057 0.00000
624 0.0338 0.00000
625 0.0526 0.00000
626 0.0893 0.00000
627 -0.0064 0.00000
628 0.0218 0.00000
629 -0.0040 0.00000
630 -0.0137 0.00000
631 0.0584 0.00000
632 -0.0635 0.00000
633 0.0436 0.00000
634 0.0937 0.00000
635 0.0429 0.00000
636 -0.0699 0.00000
637 0.0519 0.00000
638 0.0011 0.00000
639 0.0192 0.00000
640 -0.0054 0.00000
641 -0.0457 0.00000
642 -0.0001 0.00000
643 0.0310 0.00000
644 0.0208 0.00000
645 -0.0091 0.00000
646 0.0737 0.00000
647 0.0359 0.00000
648 -0.0217 0.00000
649 0.0981 0.00000
650 0.0284 0.00000
651 -0.0090 0.00000
652 -0.0234 0.00000
653 0.0178 0.00000
654 -0.0354 0.00000
655 0.0053 0.00000
656 0.0343 0.00000
657 -0.0165 0.00000
658 0.0546 0.00000
659 0.0047 0.00000
660 0.0260 0.00000
661 0.0438 0.00000
662 0.0179 0.00000
663 0.0241 0.00000
664 -0.0035 0.00000
665 -0.0332 0.00000
666 -0.0197 0.00000
667 -0.0014 0.00000
668 0.0537 0.00000
669 -0.0436 0.00000
670 -0.0317 0.00000
671 0.0463 0.00000
672 -0.0050 0.00000
673 0.2411 0.00000
674 0.0485 0.00000
675 -0.0009 0.00000
676 -0.0296 0.00000
677 0.0126 0.00000
678 0.1299 0.00000
679 0.0418 0.00000
680 0.0024 0.00000
681 0.0055 0.00000
682 0.0511 0.00000
683 0.0099 0.00000
684 0.0507 0.00000
685 0.0046 0.00000
686 0.0790 0.00000
687 0.0586 0.00000
688 0.0966 0.00000
689 0.0632 0.00000
690 0.1435 0.00000
691 -0.0073 0.00000
692 0.0202 0.00000
693 0.0336 0.00000
694 0.0354 0.00000
695 0.0510 0.00000
696 0.0573 0.00000
697 0.0225 0.00000
698 0.0172 0.00000
699 0.0554 0.00000
700 0.1418 0.00000
701 0.0622 0.00000
702 0.0265 0.00000
703 0.0165 0.00000
704 0.0153 0.00000
705 0.0558 0.00000
706 -0.0183 0.00000
707 0.0155 0.00000
708 0.0253 0.00000
709 0.0265 0.00000
710 -0.0094 0.00000
711 0.0066 0.00000
712 0.0726 0.00000
713 -0.0385 0.00000
714 0.0095 0.00000
715 0.0939 0.00000
716 0.0773 0.00000
717 0.0004 0.00000
718 -0.0066 0.00000
719 0.0193 0.00000
720 -0.0041 0.00000
721 -0.0573 0.00000
722 -0.0495 0.00000
723 -0.0309 0.00000
724 0.0135 0.00000
725 0.0115 0.00000
726 -0.0125 0.00000
727 -0.0254 0.00000
728 -0.0091 0.00000
729 0.0249 0.00000
730 0.0227 0.00000
731 -0.0580 0.00000
732 0.0090 0.00000
733 -0.0312 0.00000
734 0.0155 0.00000
735 -0.0113 0.00000
736 0.0109 0.00000
737 -0.0224 0.00000
738 -0.0100 0.00000
739 -0.0147 0.00000
740 -0.0203 0.00000
741 -0.0170 0.00000
742 0.0543 0.00000
743 0.0363 0.00000
744 -0.0145 0.00000
745 -0.0280 0.00000
746 0.0459 0.00000
747 0.0299 0.00000
748 0.0461 0.00000
749 -0.0392 0.00000
750 0.0386 0.00000
751 0.0111 0.00000
752 -0.0132 0.00000
753 0.0518 0.00000
754 -0.0118 0.00000
755 0.0317 0.00000
756 -0.0097 0.00000
757 0.0207 0.00000
758 -0.0034 0.00000
759 -0.0036 0.00000
760 0.0204 0.00000
761 0.0294 0.00000
762 0.0082 0.00000
763 -0.0675 0.00000
764 0.0004 0.00000
765 -0.0602 0.00000
766 -0.0199 0.00000
767 -0.0369 0.00000
768 -0.0870 0.00000
769 -0.0153 0.00000
770 -0.0458 0.00000
771 -0.0301 0.00000
772 -0.0156 0.00000
773 -0.0088 0.00000
774 -0.0360 0.00000
775 -0.0066 0.00000
776 -0.0278 0.00000
777 -0.0513 0.00000
778 0.0229 0.00000
779 -0.0258 0.00000
780 -0.0338 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0307 0.00000
2 0.0339 0.00000
3 -0.0064 0.00000
4 -0.0577 0.00000
5 -0.0819 0.00000
6 -0.0234 0.00000
7 0.0323 0.00000
8 0.0013 0.00000
9 -0.1005 0.00000
10 0.0378 0.00000
11 -0.0343 0.00000
12 0.2602 0.00000
13 -0.0063 0.00000
14 0.0677 0.00000
15 -0.0633 0.00000
16 0.0254 0.00000
17 0.0302 0.00000
18 0.0354 0.00000
19 0.2287 0.00000
20 -0.0228 0.00000
21 -0.0535 0.00000
22 0.0059 0.00000
23 -0.0230 0.00000
24 0.0407 0.00000
25 -0.0163 0.00000
26 -1.0179 0.00000
27 -0.7309 0.00000
28 -0.0218 0.00000
29 -0.0389 0.00000
30 -0.6770 0.00000
31 -0.0422 0.00000
32 0.1165 0.00000
33 -0.0209 0.00000
34 -0.0596 0.00000
35 0.0257 0.00000
36 0.0398 0.00000
37 0.2107 0.00000
38 0.0043 0.00000
39 -0.0212 0.00000
40 0.0998 0.00000
41 -0.0029 0.00000
42 -0.0150 0.00000
43 -0.0908 0.00000
44 -0.0668 0.00000
45 -0.3001 0.00000
46 -0.0936 0.00000
47 -0.0249 0.00000
48 0.0838 0.00000
49 -0.1242 0.00000
50 -0.0383 0.00000
51 0.1479 0.00000
52 -0.2711 0.00000
53 0.0419 0.00000
54 -0.1405 0.00000
55 0.0466 0.00000
56 -0.3188 0.00000
57 -0.1073 0.00000
58 -0.0569 0.00000
59 0.0179 0.00000
60 -0.5210 0.00000
61 -1.0961 0.00000
62 -0.0342 0.00000
63 -0.3062 0.00000
64 -0.4776 0.00000
65 -0.1325 0.00000
66 -0.4575 0.00000
67 -0.0828 0.00000
68 -0.1498 0.00000
69 0.0661 0.00000
70 -0.0355 0.00000
71 -0.0261 0.00000
72 -0.0250 0.00000
73 0.0639 0.00000
74 0.0361 0.00000
75 -0.1156 0.00000
76 0.5083 0.00000
77 0.1945 0.00000
78 -0.0026 0.00000
79 -0.6640 0.00000
80 -0.0074 0.00000
81 -0.4878 0.00000
82 0.6147 0.00000
83 0.0876 0.00000
84 0.1044 0.00000
85 0.0707 0.00000
86 0.0620 0.00000
87 0.0608 0.00000
88 0.0018 0.00000
89 0.1136 0.00000
90 -0.0292 0.00000
91 -0.0211 0.00000
92 -0.0002 0.00000
93 -0.0545 0.00000
94 -0.1489 0.00000
95 0.2520 0.00000
96 0.2906 0.00000
97 0.0223 0.00000
98 -0.0333 0.00000
99 0.0336 0.00000
100 -0.1069 0.00000
101 -0.0252 0.00000
102 0.0545 0.00000
103 -0.0464 0.00000
104 0.0784 0.00000
105 -0.0152 0.00000
106 -0.0884 0.00000
107 -0.1705 0.00000
108 0.0663 0.00000
109 -0.2708 0.00000
110 -0.0093 0.00000
111 -0.0810 0.00000
112 0.0304 0.00000
113 0.0651 0.00000
114 -0.0486 0.00000
115 -0.0938 0.00000
116 -0.0689 0.00000
117 -0.0869 0.00000
118 0.0649 0.00000
119 -0.0111 0.00000
120 -0.0164 0.00000
121 0.0799 0.00000
122 -0.0164 0.00000
123 -0.0267 0.00000
124 1.1759 0.00000
125 -0.0019 0.00000
126 -0.0626 0.00000
127 -0.0667 0.00000
128 -0.0093 0.00000
129 1.0198 0.00000
130 0.0527 0.00000
131 0.0684 0.00000
132 -0.0823 0.00000
133 -0.0964 0.00000
134 -0.0288 0.00000
135 -0.0018 0.00000
136 -0.0324 0.00000
137 -0.1579 0.00000
138 -0.1383 0.00000
139 0.0600 0.00000
140 -0.0052 0.00000
141 -0.0102 0.00000
142 -0.0941 0.00000
143 0.0437 0.00000
144 -0.0031 0.00000
145 -0.0544 0.00000
146 -0.0985 0.00000
147 -0.0216 0.00000
148 0.0257 0.00000
149 -0.0613 0.00000
150 0.0056 0.00000
151 -0.0015 0.00000
152 0.2800 0.00000
153 0.0770 0.00000
154 -0.2355 0.00000
155 -0.0777 0.00000
156 -0.0358 0.00000
157 -0.0393 0.00000
158 0.0410 0.00000
159 -0.5301 0.00000
160 0.0891 0.00000
161 -0.1013 0.00000
162 -0.0404 0.00000
163 -0.0562 0.00000
164 -0.0816 0.00000
165 0.1471 0.00000
166 -0.0958 0.00000
167 -0.4129 0.00000
168 0.0407 0.00000
169 0.0269 0.00000
170 0.0259 0.00000
171 -0.1046 0.00000
172 -0.0190 0.00000
173 0.0312 0.00000
174 -0.0492 0.00000
175 0.0015 0.00000
176 -0.0024 0.00000
177 -0.0340 0.00000
178 -0.2008 0.00000
179 -0.0399 0.00000
180 -0.1005 0.00000
181 -0.0429 0.00000
182 -0.0785 0.00000
183 -0.2663 0.00000
184 -0.0308 0.00000
185 -0.1341 0.00000
186 -0.0769 0.00000
187 0.1643 0.00000
188 -0.0698 0.00000
189 0.0032 0.00000
190 0.0010 0.00000
191 -0.0772 0.00000
192 0.0012 0.00000
193 -0.0747 0.00000
194 -0.2138 0.00000
195 -0.3567 0.00000
196 -0.0828 0.00000
197 -0.0381 0.00000
198 -0.3067 0.00000
199 -0.1724 0.00000
200 0.0002 0.00000
201 -0.1549 0.00000
202 -0.1316 0.00000
203 -0.0546 0.00000
204 -0.1266 0.00000
205 -0.0961 0.00000
206 -0.0718 0.00000
207 -0.0268 0.00000
208 -0.0311 0.00000
209 0.0916 0.00000
210 0.0490 0.00000
211 -0.0856 0.00000
212 0.0646 0.00000
213 -0.0164 0.00000
214 0.0693 0.00000
215 0.2623 0.00000
216 -0.1721 0.00000
217 0.0423 0.00000
218 -0.1586 0.00000
219 -0.0038 0.00000
220 0.0057 0.00000
221 0.0172 0.00000
222 0.1901 0.00000
223 -0.0033 0.00000
224 0.0360 0.00000
225 -0.1817 0.00000
226 0.0208 0.00000
227 0.0267 0.00000
228 0.0621 0.00000
229 -0.0518 0.00000
230 0.2464 0.00000
231 0.0011 0.00000
232 -0.0178 0.00000
233 -0.0170 0.00000
234 -0.0867 0.00000
235 -0.1725 0.00000
236 0.0219 0.00000
237 0.0165 0.00000
238 -0.2243 0.00000
239 -0.0139 0.00000
240 0.0142 0.00000
241 -0.0555 0.00000
242 -0.0050 0.00000
243 -0.0313 0.00000
244 0.0717 0.00000
245 0.0213 0.00000
246 0.0316 0.00000
247 -0.0183 0.00000
248 -0.0629 0.00000
249 0.0322 0.00000
250 0.0303 0.00000
251 -0.0778 0.00000
252 -0.1462 0.00000
253 -0.0231 0.00000
254 -0.0093 0.00000
255 0.0344 0.00000
256 -0.0664 0.00000
257 0.0213 0.00000
258 0.0153 0.00000
259 0.1522 0.00000
260 0.0346 0.00000
261 0.1995 0.00000
262 0.0868 0.00000
263 0.0013 0.00000
264 0.0844 0.00000
265 0.0320 0.00000
266 -0.0066 0.00000
267 0.0035 0.00000
268 0.0530 0.00000
269 -0.0462 0.00000
270 0.0281 0.00000
271 -0.0217 0.00000
272 -0.0470 0.00000
273 0.0609 0.00000
274 -0.0784 0.00000
275 -0.0310 0.00000
276 -0.0380 0.00000
277 -0.0212 0.00000
278 -0.0856 0.00000
279 -0.0154 0.00000
280 -0.0888 0.00000
281 0.0111 0.00000
282 -0.0093 0.00000
283 0.0019 0.00000
284 0.0099 0.00000
285 0.0142 0.00000
286 -0.0151 0.00000
287 -0.0565 0.00000
288 -0.0351 0.00000
289 -0.0198 0.00000
290 -0.0702 0.00000
291 0.0749 0.00000
292 0.0042 0.00000
293 -0.0195 0.00000
294 -0.0073 0.00000
295 -0.0185 0.00000
296 -0.0689 0.00000
297 0.0259 0.00000
298 -0.0965 0.00000
299 0.1242 0.00000
300 0.0636 0.00000
301 0.1107 0.00000
302 0.1247 0.00000
303 0.0539 0.00000
304 -0.1030 0.00000
305 0.0427 0.00000
306 0.1768 0.00000
307 0.0482 0.00000
308 -0.0138 0.00000
309 0.0001 0.00000
310 0.0043 0.00000
311 0.0964 0.00000
312 -0.0593 0.00000
313 0.0915 0.00000
314 0.1406 0.00000
315 -0.0776 0.00000
316 -0.0280 0.00000
317 0.1100 0.00000
318 -0.0187 0.00000
319 -0.0314 0.00000
320 -0.1473 0.00000
321 0.0253 0.00000
322 -0.0606 0.00000
323 -0.0277 0.00000
324 -0.0398 0.00000
325 -0.0524 0.00000
326 -0.0378 0.00000
327 0.0226 0.00000
328 -0.0690 0.00000
329 -0.0319 0.00000
330 -0.0196 0.00000
331 0.0032 0.00000
332 -0.0047 0.00000
333 0.0919 0.00000
334 0.0013 0.00000
335 -0.1173 0.00000
336 -0.0162 0.00000
337 -0.0926 0.00000
338 -0.0435 0.00000
339 -0.0132 0.00000
340 -0.1097 0.00000
341 -0.0484 0.00000
342 0.0363 0.00000
343 0.0256 0.00000
344 0.0920 0.00000
345 0.1070 0.00000
346 0.0082 0.00000
347 -0.0663 0.00000
348 0.0054 0.00000
349 -0.0869 0.00000
350 -0.0593 0.00000
351 -0.0440 0.00000
352 -0.0744 0.00000
353 -0.1107 0.00000
354 0.0120 0.00000
355 -0.0191 0.00000
356 0.0089 0.00000
357 -0.0020 0.00000
358 0.0110 0.00000
359 -0.0128 0.00000
360 0.0575 0.00000
361 -0.0080 0.00000
362 -0.0119 0.00000
363 -0.0302 0.00000
364 -0.0220 0.00000
365 -0.0163 0.00000
366 -0.0716 0.00000
367 -0.0755 0.00000
368 -0.0331 0.00000
369 0.0202 0.00000
370 -0.0084 0.00000
371 0.0326 0.00000
372 -0.0701 0.00000
373 -0.1105 0.00000
374 -0.0645 0.00000
375 -0.0700 0.00000
376 -0.0096 0.00000
377 -0.0651 0.00000
378 -0.0295 0.00000
379 -0.0292 0.00000
380 -0.0605 0.00000
381 -0.0548 0.00000
382 -0.0213 0.00000
383 -0.1470 0.00000
384 -0.0344 0.00000
385 0.0104 0.00000
386 -0.1105 0.00000
387 -0.0833 0.00000
388 0.0157 0.00000
389 -0.0406 0.00000
390 -0.0833 0.00000
391 0.0258 0.00000
392 -0.0040 0.00000
393 -0.0079 0.00000
394 0.0131 0.00000
395 -0.0447 0.00000
396 -0.0946 0.00000
397 0.0096 0.00000
398 -0.0386 0.00000
399 0.0302 0.00000
400 -0.0710 0.00000
401 -0.0327 0.00000
402 -0.0643 0.00000
403 -0.0361 0.00000
404 -0.0207 0.00000
405 -0.1260 0.00000
406 -0.0457 0.00000
407 -0.0249 0.00000
408 -0.3594 0.00000
409 -0.0403 0.00000
410 -0.1948 0.00000
411 -0.0421 0.00000
412 -0.1455 0.00000
413 -0.0399 0.00000
414 0.0738 0.00000
415 -0.0768 0.00000
416 -0.0897 0.00000
417 -0.0177 0.00000
418 -0.0245 0.00000
419 0.0956 0.00000
420 0.0238 0.00000
421 0.0040 0.00000
422 -0.3044 0.00000
423 -0.0025 0.00000
424 -0.0637 0.00000
425 0.0043 0.00000
426 -0.0166 0.00000
427 -0.0621 0.00000
428 -0.0359 0.00000
429 -0.1554 0.00000
430 -0.1405 0.00000
431 -0.0693 0.00000
432 -0.0346 0.00000
433 0.0055 0.00000
434 0.0203 0.00000
435 0.0630 0.00000
436 -0.0330 0.00000
437 0.0163 0.00000
438 -0.0398 0.00000
439 0.0428 0.00000
440 0.0603 0.00000
441 0.0545 0.00000
442 -0.0330 0.00000
443 -0.0965 0.00000
444 -0.0516 0.00000
445 -0.1028 0.00000
446 -0.0914 0.00000
447 -0.0047 0.00000
448 -0.0392 0.00000
449 -0.1311 0.00000
450 -0.1104 0.00000
451 -0.0521 0.00000
452 -0.0152 0.00000
453 -0.0087 0.00000
454 -0.1180 0.00000
455 0.0845 0.00000
456 -0.0277 0.00000
457 -0.0653 0.00000
458 -0.0443 0.00000
459 0.0076 0.00000
460 -0.0259 0.00000
461 -0.0163 0.00000
462 -0.0483 0.00000
463 0.0062 0.00000
464 -0.0222 0.00000
465 -0.1455 0.00000
466 -0.0760 0.00000
467 -0.1083 0.00000
468 0.0037 0.00000
469 -0.0112 0.00000
470 -0.1213 0.00000
471 -0.0011 0.00000
472 0.0540 0.00000
473 -0.0048 0.00000
474 0.0431 0.00000
475 -0.0851 0.00000
476 -0.0537 0.00000
477 -0.0365 0.00000
478 -0.0169 0.00000
479 -0.0270 0.00000
480 -0.0344 0.00000
481 0.0245 0.00000
482 -0.0668 0.00000
483 -0.2414 0.00000
484 0.0489 0.00000
485 -0.0527 0.00000
486 -0.0206 0.00000
487 0.1727 0.00000
488 0.0181 0.00000
489 0.0415 0.00000
490 -0.0386 0.00000
491 -0.0341 0.00000
492 -0.0998 0.00000
493 0.0213 0.00000
494 0.1249 0.00000
495 0.0595 0.00000
496 -0.0139 0.00000
497 0.0125 0.00000
498 0.0387 0.00000
499 0.1226 0.00000
500 -0.0433 0.00000
501 0.0225 0.00000
502 0.0114 0.00000
503 -0.0219 0.00000
504 -0.0287 0.00000
505 0.0295 0.00000
506 0.0715 0.00000
507 -0.0177 0.00000
508 0.0164 0.00000
509 0.0303 0.00000
510 0.0085 0.00000
511 -0.0496 0.00000
512 0.0627 0.00000
513 0.0048 0.00000
514 0.0755 0.00000
515 -0.0489 0.00000
516 -0.0465 0.00000
517 -0.0403 0.00000
518 0.0087 0.00000
519 -0.0087 0.00000
520 0.0718 0.00000
521 0.0053 0.00000
522 0.1241 0.00000
523 0.0392 0.00000
524 0.0104 0.00000
525 -0.0577 0.00000
526 0.0591 0.00000
527 -0.0491 0.00000
528 -0.0530 0.00000
529 -0.1199 0.00000
530 -0.0483 0.00000
531 0.0203 0.00000
532 0.0170 0.00000
533 0.0024 0.00000
534 -0.0081 0.00000
535 0.0160 0.00000
536 -0.0104 0.00000
537 -0.0011 0.00000
538 -0.1586 0.00000
539 -0.0705 0.00000
540 -0.1168 0.00000
541 -0.0216 0.00000
542 0.0165 0.00000
543 -0.0562 0.00000
544 0.0048 0.00000
545 -0.0953 0.00000
546 -0.0322 0.00000
547 -0.0411 0.00000
548 -0.0482 0.00000
549 -0.0089 0.00000
550 0.1047 0.00000
551 0.0587 0.00000
552 -0.0443 0.00000
553 -0.0339 0.00000
554 0.0572 0.00000
555 0.0275 0.00000
556 0.0014 0.00000
557 0.0703 0.00000
558 -0.1346 0.00000
559 0.0630 0.00000
560 -0.1117 0.00000
561 -0.0709 0.00000
562 -0.0336 0.00000
563 -0.0605 0.00000
564 0.1349 0.00000
565 -0.0959 0.00000
566 -0.0158 0.00000
567 0.0163 0.00000
568 -0.2026 0.00000
569 0.1466 0.00000
570 -0.1200 0.00000
571 0.0623 0.00000
572 0.0052 0.00000
573 0.2185 0.00000
574 -0.0269 0.00000
575 0.0337 0.00000
576 0.0722 0.00000
577 0.1782 0.00000
578 -0.2466 0.00000
579 -0.0032 0.00000
580 -0.1231 0.00000
581 -0.1094 0.00000
582 0.0157 0.00000
583 -0.0076 0.00000
584 -0.1691 0.00000
585 0.0165 0.00000
586 -0.0752 0.00000
587 0.1356 0.00000
588 -0.0705 0.00000
589 0.0599 0.00000
590 -0.1490 0.00000
591 0.0353 0.00000
592 -0.0338 0.00000
593 0.0229 0.00000
594 0.0592 0.00000
595 0.0622 0.00000
596 0.0287 0.00000
597 0.0193 0.00000
598 0.0553 0.00000
599 0.3650 0.00000
600 0.0918 0.00000
601 0.0366 0.00000
602 -0.0259 0.00000
603 0.0827 0.00000
604 0.0522 0.00000
605 -0.0818 0.00000
606 0.0428 0.00000
607 0.0012 0.00000
608 0.0688 0.00000
609 0.0242 0.00000
610 0.0198 0.00000
611 0.0260 0.00000
612 0.0256 0.00000
613 0.0456 0.00000
614 -0.0524 0.00000
615 0.0251 0.00000
616 0.0440 0.00000
617 0.0005 0.00000
618 0.0158 0.00000
619 -0.0018 0.00000
620 0.0587 0.00000
621 0.0003 0.00000
622 0.0584 0.00000
623 0.0144 0.00000
624 -0.0224 0.00000
625 0.0166 0.00000
626 -0.0035 0.00000
627 0.0284 0.00000
628 -0.0045 0.00000
629 0.0413 0.00000
630 -0.0299 0.00000
631 0.0632 0.00000
632 -0.0462 0.00000
633 0.0027 0.00000
634 0.0318 0.00000
635 0.1660 0.00000
636 0.0730 0.00000
637 -0.0143 0.00000
638 -0.0026 0.00000
639 -0.0373 0.00000
640 -0.0650 0.00000
641 -0.0180 0.00000
642 -0.0222 0.00000
643 0.0162 0.00000
644 0.0817 0.00000
645 0.0643 0.00000
646 -0.0188 0.00000
647 -0.0211 0.00000
648 0.0797 0.00000
649 0.0101 0.00000
650 0.0052 0.00000
651 -0.0147 0.00000
652 -0.0196 0.00000
653 0.0038 0.00000
654 0.0184 0.00000
655 -0.0010 0.00000
656 0.0077 0.00000
657 0.0380 0.00000
658 0.0597 0.00000
659 0.0055 0.00000
660 -0.0367 0.00000
661 0.0203 0.00000
662 -0.0450 0.00000
663 0.0517 0.00000
664 0.0306 0.00000
665 0.0124 0.00000
666 -0.0020 0.00000
667 0.0743 0.00000
668 0.0265 0.00000
669 0.0698 0.00000
670 0.0299 0.00000
671 -0.0040 0.00000
672 0.0063 0.00000
673 -0.0287 0.00000
674 0.0539 0.00000
675 0.0188 0.00000
676 -0.0448 0.00000
677 0.1288 0.00000
678 -0.0451 0.00000
679 0.1193 0.00000
680 0.0803 0.00000
681 0.0096 0.00000
682 0.0534 0.00000
683 0.0059 0.00000
684 0.0494 0.00000
685 0.0556 0.00000
686 0.0750 0.00000
687 0.1308 0.00000
688 0.1488 0.00000
689 0.0915 0.00000
690 -0.0346 0.00000
691 0.0462 0.00000
692 0.1033 0.00000
693 -0.0593 0.00000
694 0.1397 0.00000
695 -0.0071 0.00000
696 -0.0023 0.00000
697 0.0218 0.00000
698 0.0450 0.00000
699 0.0082 0.00000
700 0.0010 0.00000
701 0.1199 0.00000
702 0.0993 0.00000
703 0.0388 0.00000
704 -0.0242 0.00000
705 -0.0297 0.00000
706 -0.0119 0.00000
707 0.0121 0.00000
708 0.0972 0.00000
709 -0.0004 0.00000
710 0.0351 0.00000
711 -0.0038 0.00000
712 0.0664 0.00000
713 -0.0371 0.00000
714 0.0131 0.00000
715 0.0224 0.00000
716 0.0531 0.00000
717 0.0242 0.00000
718 0.0764 0.00000
719 0.0314 0.00000
720 0.0031 0.00000
721 0.0169 0.00000
722 -0.0115 0.00000
723 0.0325 0.00000
724 0.0263 0.00000
725 0.0045 0.00000
726 -0.0256 0.00000
727 0.0117 0.00000
728 -0.0253 0.00000
729 -0.0756 0.00000
730 -0.0269 0.00000
731 0.0156 0.00000
732 -0.0229 0.00000
733 0.0143 0.00000
734 -0.0285 0.00000
735 -0.0606 0.00000
736 -0.0299 0.00000
737 0.0104 0.00000
738 -0.0094 0.00000
739 -0.0218 0.00000
740 -0.0546 0.00000
741 0.0403 0.00000
742 -0.0680 0.00000
743 -0.0009 0.00000
744 0.0049 0.00000
745 -0.0110 0.00000
746 0.0357 0.00000
747 0.0319 0.00000
748 -0.0345 0.00000
749 -0.0040 0.00000
750 -0.0211 0.00000
751 0.0090 0.00000
752 0.0352 0.00000
753 -0.0696 0.00000
754 0.0064 0.00000
755 0.0015 0.00000
756 0.0298 0.00000
757 -0.0406 0.00000
758 0.0338 0.00000
759 -0.0490 0.00000
760 -0.0621 0.00000
761 -0.0170 0.00000
762 0.1054 0.00000
763 0.0532 0.00000
764 0.0260 0.00000
765 -0.0058 0.00000
766 -0.0141 0.00000
767 -0.0144 0.00000
768 0.0235 0.00000
769 0.0121 0.00000
770 -0.0737 0.00000
771 -0.0559 0.00000
772 0.0057 0.00000
773 -0.0019 0.00000
774 -0.0273 0.00000
775 -0.0450 0.00000
776 -0.0406 0.00000
777 -0.0462 0.00000
778 -0.0155 0.00000
779 -0.0109 0.00000
780 0.0126 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 1 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
-1.84646 1.05954 -4.69744
1.05933 11.56820 12.04600
-4.69691 12.04571 7.61697
POSITION FORCE-CONSTANT FOR ION 1 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -1.609416 -28.160437 -5.159238
4.30302 2.15352 7.05746 0.017311 -0.093931 0.114270
1.30883 4.06731 2.03161 0.002965 3.757566 2.566100
3.96992 4.32885 4.13194 0.722522 -0.014534 0.635969
1.29275 3.05683 8.10201 -0.019758 -0.075544 0.046379
3.79636 1.47547 14.70421 -0.087064 -0.479083 -0.253185
1.24643 4.63551 10.86193 -0.109690 -0.009323 -0.008228
3.89005 4.20092 12.88287 0.008392 0.118030 -0.132416
1.04482 6.69020 17.44020 -0.140221 0.924468 -0.610598
3.77370 7.04599 6.61024 0.061162 0.178931 0.098387
0.71312 9.21049 2.53845 0.011099 0.238792 0.115069
3.86880 9.70388 4.59023 0.013900 0.191886 -0.005306
1.19399 7.29663 8.75952 -0.013343 0.072386 0.085334
4.14925 6.52609 15.71477 0.135192 0.055775 -0.090118
1.16791 10.19708 10.50563 0.002404 0.114286 0.014114
3.90202 11.30466 11.97145 -0.005784 0.083220 0.064848
1.41963 13.48240 16.88000 -0.018742 0.576391 0.589767
3.89470 12.50036 6.39588 -0.053304 0.207880 -0.140548
1.24092 15.65995 2.03746 0.411579 1.940930 -0.936472
3.45676 13.88732 3.60018 -0.392815 0.439214 -0.331945
1.37686 12.90671 8.69683 0.009244 0.065722 -0.039113
4.20896 12.98001 14.89140 -0.233967 0.110854 0.197422
1.28271 15.54574 11.35729 -0.099183 -0.017089 0.072956
4.02704 16.14416 13.12883 -0.055365 -0.184857 -0.006241
8.51844 2.13686 0.32759 0.064103 -0.078988 -0.034348
10.42520 1.68659 6.72748 0.003836 -0.064902 0.014073
6.89192 4.41938 2.41726 0.205617 -0.020634 -0.084708
10.22536 4.35381 4.16682 0.013037 -0.000975 0.043182
7.19238 2.15284 8.75827 0.033021 -0.048738 0.000080
10.67141 2.29852 15.08728 0.099432 -0.062485 0.034348
7.24075 4.59797 11.01224 0.075273 -0.018485 -0.041902
10.30176 4.56419 12.61212 0.049008 -0.025947 0.019529
6.40057 6.85176 0.36515 0.098870 0.133012 0.039131
9.75325 6.62606 6.90745 0.012842 0.014543 0.023442
6.24007 9.67823 1.67645 0.022366 0.169017 0.011689
6.65558 7.06042 8.79421 0.028777 0.072527 0.028218
11.80692 6.94639 14.05727 -0.012938 0.038121 -0.034654
6.39955 9.97659 10.34026 -0.009200 0.081828 0.018951
11.03265 10.16848 13.84914 0.000625 0.070526 0.006197
6.77345 12.10505 16.99256 -0.045122 0.132552 -0.020009
10.32223 13.09442 6.99099 0.010141 0.029106 0.007886
10.59365 15.96480 4.77521 0.022811 -0.023204 -0.053023
6.94250 12.79247 7.88185 -0.033278 0.013286 -0.044078
10.18654 12.31147 16.08279 0.004937 0.047161 0.036255
7.13888 17.01345 11.20310 0.008132 -0.019146 0.011647
10.37682 0.23169 12.64835 0.052134 -0.021330 -0.006050
13.24904 1.54346 17.14370 0.268089 -0.102355 -0.241100
15.89410 1.64185 6.44545 -0.008529 -0.337832 0.053903
12.98857 4.28042 2.14546 -0.117751 -0.112166 -0.101853
15.96785 4.32998 4.48967 -0.455992 0.132150 0.546426
13.27097 1.52537 8.57426 -0.008908 -0.056888 0.064588
16.03461 1.53130 15.21659 0.225845 -0.770001 0.374400
13.37701 3.97590 10.80799 0.019537 -0.035900 0.038027
16.23421 4.17555 13.11475 -0.080849 -0.257846 0.063166
13.12188 6.75851 16.83328 -0.059671 0.035523 -0.048513
16.15350 6.82329 6.57280 -0.046362 0.193039 0.136432
13.80451 11.28726 3.11364 -0.014486 0.112750 -0.040385
16.01530 9.31599 4.57229 -0.044512 0.161434 -0.013291
16.24774 6.95131 14.97400 -0.196753 0.052443 -0.258884
13.37358 11.10317 11.33384 0.003704 0.058132 0.000821
16.26481 10.28310 12.82929 0.000233 0.138270 0.030594
13.02958 12.87265 0.34345 0.049221 0.093802 -0.024640
15.63587 13.81058 6.90598 0.032618 0.109288 -0.107513
13.11026 15.86276 1.91698 0.124293 -0.015181 0.023677
16.04847 15.98249 4.25314 0.561239 -0.176159 -0.495986
12.92950 13.50280 9.01948 0.036403 0.036307 -0.018606
16.03470 13.24150 15.21399 0.191953 0.166363 0.134281
13.00717 16.52927 10.76204 0.073973 -0.059361 0.056684
15.92967 15.85673 13.13419 -0.016487 0.166571 0.147705
1.86054 17.36365 1.29865 -1.016077 4.470602 -1.818074
4.17830 2.73136 5.21241 -0.068358 0.083346 -0.129983
3.26426 5.75851 5.24301 -0.071752 -0.099475 -0.189172
17.49829 1.67854 7.58538 0.021463 0.060270 -0.001924
1.16532 17.05709 10.27678 0.011774 0.020096 -0.015580
3.43296 5.28736 14.40974 -0.022031 0.010461 0.036958
5.78979 4.58179 12.35127 -0.040842 -0.010811 0.035680
2.66622 1.96025 16.18884 0.549051 2.857758 -0.256862
17.32027 0.89679 16.51550 0.457202 2.974746 -0.240157
0.46199 8.18893 0.93413 -0.008204 -0.184346 0.010067
5.39231 10.11127 3.40660 0.002568 -0.026892 0.000703
2.32066 9.80687 3.44943 -0.007147 -0.062205 -0.022693
4.91964 7.92130 14.71679 -0.030036 -0.009903 0.018776
2.68710 7.23238 16.69438 -0.016196 -0.093457 0.081665
0.01020 10.88204 2.02154 0.012741 -0.074504 -0.011528
4.21835 0.28129 6.98759 -0.004380 0.040393 -0.025479
17.23783 13.81793 8.03064 0.005051 -0.013755 0.019536
4.79582 14.66186 14.12172 0.031943 0.035744 -0.035159
1.82404 14.00413 10.26937 0.009623 0.002923 -0.004424
5.26768 16.92854 11.79676 0.003778 0.031991 0.007519
10.96027 2.96124 5.34122 -0.001762 0.027381 -0.025816
6.97457 3.04582 1.08259 -0.060628 0.033688 0.041292
10.16898 6.05361 5.08582 -0.004926 -0.003614 -0.015482
8.34039 4.05066 3.68939 -0.048881 0.007436 -0.009406
8.74489 2.42632 7.55292 -0.004198 0.024820 0.002093
7.18775 0.35634 9.46384 -0.003591 0.021755 -0.009439
11.47395 4.04892 11.19556 -0.015100 0.013916 -0.006319
9.15080 2.77757 16.12393 -0.026997 0.028746 0.011432
7.98734 0.36277 0.04247 -0.003959 0.033843 0.013750
8.09306 7.37877 7.53063 -0.009158 -0.006645 -0.003674
5.20414 6.37683 7.73407 -0.040424 -0.021844 -0.039853
12.25313 11.32613 12.87115 -0.003218 -0.012136 0.000704
7.88582 9.71337 11.41294 -0.001148 -0.005174 -0.002029
7.90588 7.26091 16.85699 -0.015510 -0.014923 -0.005432
11.07224 14.64349 6.08452 -0.008658 0.005375 0.007082
9.97410 0.03402 5.82220 -0.003936 0.034539 0.019723
11.77786 16.49122 3.26041 -0.040886 0.016872 0.022727
6.65717 11.67689 9.40508 0.003000 -0.010761 0.011306
7.76961 15.24886 11.07941 -0.001205 0.009288 -0.003125
8.52712 0.41686 12.29829 -0.009532 0.014579 -0.001452
13.11181 17.12784 0.26607 -0.051138 0.016056 0.020640
13.20693 2.50512 1.34897 -0.010527 0.084299 0.068487
17.29335 3.71694 3.19979 0.594215 -0.318600 -0.675958
14.20035 4.69758 3.69278 0.133806 0.019221 -0.026232
14.59997 3.56179 12.23787 -0.021611 0.036007 -0.035597
13.57708 5.48481 0.72232 0.037857 0.009738 0.041344
12.29749 8.18631 0.22048 0.011697 -0.011259 0.003153
16.86596 10.59176 5.62457 -0.000195 -0.019068 -0.011023
16.66958 8.43890 13.63905 0.021345 -0.046732 0.031576
16.67265 11.67449 14.15979 -0.013224 -0.076976 -0.046964
14.70756 7.45696 15.98014 0.038269 -0.018240 0.025809
16.06899 0.34084 4.92526 -0.055123 0.147695 0.096417
14.63768 15.41566 3.05858 -0.131493 0.018752 0.003168
12.21694 15.07373 9.87203 -0.015380 0.010057 -0.010857
15.65466 0.14914 13.86557 -0.118749 -0.042132 -0.167572
14.35754 15.71932 11.91759 -0.021944 -0.020255 -0.049442
14.30081 12.83268 16.21967 -0.018773 -0.016069 -0.005410
8.77223 10.39607 2.47225 0.012557 0.022760 0.003916
12.91187 8.54216 10.48161 0.000696 0.025888 -0.000092
8.49467 15.82840 2.99445 -0.018656 -0.006347 -0.009632
1.32045 2.68577 1.08043 -0.365066 11.211418 6.279369
5.44581 4.42337 3.31859 -0.286998 0.018789 0.025682
2.71895 4.15019 2.95898 -1.004335 -0.495750 -1.135367
2.89361 2.63574 7.84048 0.005671 0.047022 -0.026928
3.72928 2.61904 13.46082 -0.085375 -0.178002 0.280137
1.12195 3.42722 9.72736 0.018917 0.030350 -0.009927
2.69176 4.49808 11.70258 0.076030 -0.011063 0.075336
1.13271 5.33613 0.95032 0.107901 -1.387269 0.366400
4.03043 8.42197 5.67301 -0.021248 -0.153574 0.053906
3.75157 11.03623 5.64253 0.005065 -0.141419 -0.036368
2.52170 7.25791 7.75547 0.036922 -0.040655 -0.074913
17.39856 7.13193 7.68295 -0.022742 -0.033662 -0.054092
1.18188 6.06412 9.94036 0.013966 -0.000086 -0.010538
1.18202 8.73358 9.65531 0.003465 -0.084962 -0.049899
3.91098 11.84592 13.59643 0.015576 -0.066361 -0.095859
5.12928 10.31683 11.41789 0.024814 -0.037403 -0.016529
2.50977 10.51875 11.46580 -0.015302 -0.034699 -0.013057
17.45087 6.59897 16.12377 0.217145 -0.159597 0.268072
3.55980 13.67281 5.25157 0.078830 -0.153244 0.242016
1.28803 14.62748 0.64715 0.014628 -0.885272 -0.460393
4.98905 14.24610 3.11864 0.135251 -0.080502 0.031238
2.40264 15.06164 3.08512 0.381909 -0.724239 0.516311
2.72172 12.72875 7.62075 -0.013271 -0.025530 0.042547
1.06333 11.39589 9.35618 -0.004739 -0.065660 0.032924
3.61212 17.43666 14.11103 0.012208 0.480319 0.158537
2.61877 15.69429 12.36150 0.065188 0.045419 -0.002150
2.80206 13.36593 15.83914 0.220786 -0.122888 -0.214550
17.47316 13.58140 16.05649 -0.232683 -0.143919 -0.202070
9.77890 2.08644 1.42003 -0.020687 0.031634 0.011442
11.39452 4.37239 2.86549 0.057966 0.034656 -0.000282
5.75314 2.47184 7.89843 -0.037121 0.038568 -0.034370
10.58974 3.42804 13.84178 -0.023636 0.036801 -0.019407
7.29963 3.26088 10.01774 -0.018229 0.041951 0.027803
10.61644 6.04073 13.30213 -0.004008 0.007941 0.005920
8.72282 4.57356 11.93667 -0.065143 0.012945 -0.015434
6.87268 5.85394 1.60201 -0.039210 -0.015052 0.023034
10.69996 7.99849 7.09252 -0.007397 -0.014148 -0.007344
5.73707 8.23825 1.01832 -0.033707 -0.116092 -0.045732
10.63831 11.82289 5.95914 0.000668 -0.013489 -0.005906
12.27791 10.92294 3.59234 -0.008328 -0.023028 0.008715
7.82470 9.40720 2.06031 -0.015914 -0.052355 -0.010915
7.06519 5.95381 10.03323 -0.019810 -0.008026 0.006684
11.49637 8.56646 14.11248 0.011487 -0.048617 0.011052
6.22218 8.54831 9.46647 -0.002062 -0.067188 -0.030841
10.64255 10.88430 15.28736 0.006080 -0.038616 -0.023615
5.27533 6.08183 16.89617 -0.101477 -0.059606 -0.010224
6.19392 10.87447 0.49133 -0.009819 -0.092197 0.043386
6.63594 13.50144 0.40946 0.027342 -0.048045 -0.022243
9.20318 15.33527 4.12194 0.011065 0.013274 0.021812
8.65369 12.87516 7.41323 -0.002826 -0.004032 0.005738
5.50203 12.61795 6.94111 0.061808 -0.019989 0.048891
10.10713 13.64215 15.27789 -0.004951 -0.006357 -0.009881
10.67911 0.87544 14.08625 -0.025733 0.026628 0.004423
11.60356 17.20368 11.75834 -0.054441 0.028687 0.011881
8.39118 11.91622 16.60701 0.026639 -0.024481 -0.006341
5.50451 12.34914 15.80657 0.067907 -0.041805 0.003355
15.73327 3.04046 5.55542 0.128393 0.344589 -0.321195
16.46394 5.60663 5.46979 0.071186 -0.214666 -0.251682
14.52808 1.45286 7.47168 0.033412 0.070953 -0.036341
11.79275 1.56088 7.78873 -0.015070 0.029065 -0.022355
13.32704 0.21681 9.64565 -0.017523 0.061836 -0.050676
16.41790 2.90736 14.26355 0.050660 0.468224 -0.306142
13.45171 2.82808 9.57211 -0.003226 0.026724 -0.014448
16.10069 5.57752 13.99343 0.036241 0.117389 0.095553
0.00005 4.40711 11.99025 0.083940 0.046298 -0.046608
14.62884 1.73967 16.17160 -0.646503 0.178147 0.211403
11.98368 2.03831 16.06725 -0.147529 0.062046 -0.033813
15.63239 8.11986 5.68103 0.012212 -0.109923 0.023421
17.11138 8.55854 3.60414 0.020095 -0.104445 -0.033459
14.79559 9.98222 3.60061 0.047107 -0.082804 0.028848
14.83832 6.40254 7.47085 0.047540 -0.016752 -0.049351
10.26118 5.42988 7.96507 -0.002399 0.009432 -0.012061
13.84142 5.42996 10.14226 0.004451 0.025486 -0.023313
12.90067 9.94534 10.26834 -0.005417 -0.031435 -0.011233
17.40760 10.25314 11.57387 0.004055 -0.041224 -0.009076
14.84553 10.65634 12.01294 0.001439 -0.029981 -0.005245
12.09160 6.31793 15.56215 0.027404 -0.001279 0.045753
13.66330 11.76838 1.50243 0.000792 -0.051169 0.042282
15.90808 14.97969 5.66759 -0.075942 -0.076004 0.182075
12.90234 14.38066 1.10662 -0.034158 -0.045285 -0.023976
17.39979 15.79595 3.12260 -0.832348 -0.159420 0.832382
14.24465 13.87010 7.98683 -0.041648 -0.013503 0.035116
11.50975 12.98027 8.22780 -0.014664 -0.005710 -0.007165
13.37751 12.44417 10.26044 -0.004807 -0.032257 0.019537
15.76289 14.59733 14.23402 -0.034827 -0.061023 -0.038258
17.35248 15.55367 12.27553 0.083592 -0.022663 -0.094402
11.51892 12.39014 17.28946 -0.044500 -0.023921 -0.013968
2.14782 0.44560 2.19550 0.295562 -0.437338 0.665156
3.29477 2.11300 4.94555 0.018598 -0.037701 0.006841
2.45654 5.15830 5.71352 -0.006971 -0.002251 0.017217
17.13665 1.28635 8.55333 -0.000902 0.009645 -0.002035
2.05496 17.16622 9.63831 0.002114 0.003200 -0.005398
2.76007 4.61458 14.97268 -0.002628 -0.002044 -0.019763
5.82104 5.64963 12.65472 -0.005253 0.004133 0.001148
1.99867 2.73895 15.76239 0.673464 1.027932 -1.093224
16.62702 0.41219 17.23014 0.552101 0.478772 0.349194
0.53299 8.97932 0.15968 0.019373 -0.038016 -0.001490
6.28070 9.99466 4.05905 0.000732 0.003000 0.000189
2.80484 10.34140 2.60493 -0.004933 0.011733 0.011860
5.85876 7.59725 14.24081 -0.005223 -0.000309 0.006151
2.33378 8.07412 16.06384 -0.028651 -0.027896 0.018622
0.72196 11.42800 1.39191 -0.000347 0.022688 -0.006608
4.17641 17.36384 8.00554 0.001778 0.018745 0.001335
0.17664 14.81238 7.80592 -0.000013 -0.002068 -0.008177
5.28314 15.15948 14.98492 -0.012720 -0.002044 0.009551
1.99589 13.21868 11.02572 -0.000668 0.008971 0.005484
4.90269 16.46159 10.85427 -0.003117 0.005062 0.006015
11.44760 2.27402 4.62061 -0.003888 -0.000925 0.001744
6.42001 2.18281 1.50214 0.007834 -0.009778 -0.001403
11.20298 6.44871 5.00937 -0.002337 0.006875 0.000531
8.23943 2.94593 3.71752 0.001491 0.004255 -0.001144
9.07830 3.43667 7.86385 -0.002444 0.006374 0.000668
8.13841 17.45818 9.05432 -0.001394 0.005813 -0.000224
11.09062 4.59939 10.31069 -0.002148 0.004096 -0.000112
8.29143 2.75175 15.42638 -0.001820 0.006368 -0.001754
8.82941 17.22992 17.22214 0.001822 0.013538 -0.000629
7.50840 7.62286 6.62087 0.000899 0.008478 -0.000303
4.60511 5.74329 8.41778 0.001473 0.000490 0.001205
12.92668 11.75537 13.63632 -0.000379 0.004901 0.000087
8.02117 10.55523 12.10517 -0.001741 0.003339 -0.002042
8.67556 7.71636 17.49570 -0.007017 0.005975 0.002305
11.47875 15.24589 6.91703 0.002254 0.000942 0.002443
9.35972 16.97903 6.56192 -0.000749 0.009213 0.002152
11.03713 17.07922 2.67792 -0.008681 0.005094 0.003622
7.42775 12.08916 10.09180 -0.000232 0.001953 0.002999
7.92017 14.83580 12.09082 -0.001595 0.006269 0.000617
8.50905 1.48718 11.99359 0.000828 0.002258 0.000918
13.83892 16.58967 17.12637 0.010225 0.030520 0.015224
14.18064 2.16404 1.76300 -0.010976 -0.022326 -0.000718
0.22637 2.85420 3.74771 -0.033687 -0.061404 0.032449
13.55731 4.46328 4.56374 0.044709 -0.015354 0.003635
13.93368 3.48067 13.12140 0.007277 0.000299 0.000503
14.29477 4.78199 0.25086 -0.015530 -0.011276 -0.013053
12.05112 9.01860 17.04503 0.002002 0.003523 0.000121
16.27694 10.80430 6.52497 -0.000339 0.005211 -0.002754
16.72250 7.84092 12.70809 0.000788 -0.008853 0.009032
0.08131 12.14367 13.72814 -0.006792 0.005722 0.005591
15.18747 8.06134 16.77823 -0.008020 0.017777 0.001505
15.33129 0.80027 4.23469 -0.017081 0.004459 0.002668
15.22283 14.74953 2.39790 0.025676 0.044928 0.011705
11.52991 14.60593 10.60396 -0.000247 0.006036 0.001839
14.54913 0.08259 13.94141 -0.027178 -0.021111 -0.047135
13.64918 15.17179 12.57877 -0.002261 0.005401 0.000623
14.26990 11.73639 16.04700 -0.010505 -0.002955 -0.003884
2.83011 17.00291 0.89614 -0.246624 0.365229 -0.373156
5.01762 2.19884 4.72481 -0.021087 0.004384 -0.005071
2.72197 6.40768 4.52960 -0.014182 0.043498 0.015140
0.61592 0.85326 7.17988 -0.009442 0.006930 -0.006017
1.05804 0.47662 10.87149 -0.004784 -0.000612 0.005713
2.72869 6.02833 13.97220 0.003039 0.002790 -0.003703
6.27365 4.07474 13.21275 0.008255 0.006176 0.000293
3.39789 2.54642 16.78232 0.596005 0.613781 -0.567003
0.26647 0.03376 15.97352 1.024881 0.999673 0.899323
16.86896 8.04953 1.06168 -0.000741 0.013751 -0.004569
5.26691 11.21282 3.35522 -0.011077 0.000660 -0.004275
1.79651 10.63408 3.97172 -0.000586 -0.003885 -0.011303
4.24367 8.25477 13.91418 0.003363 0.008258 0.000409
3.20146 7.72932 0.04071 0.003301 0.007995 -0.000450
17.29565 11.52683 2.88643 0.008842 -0.007876 -0.008807
5.09458 17.34903 6.48077 -0.007530 0.001107 -0.004176
16.80060 13.95067 9.04167 0.000631 0.004235 0.004956
5.65314 14.35380 13.49055 0.007899 0.013463 -0.010091
2.85103 14.37043 10.06567 0.003000 -0.000688 -0.003090
4.88020 0.46410 11.72901 -0.000466 0.005569 -0.013948
11.82432 3.49932 5.78478 -0.001715 0.008703 0.004458
6.33916 3.40343 0.25044 0.009487 0.008555 -0.013212
9.59394 6.71839 4.41200 0.003034 0.008623 0.000504
7.91802 4.38505 4.66043 0.006390 0.003221 0.005429
8.23543 2.62518 6.58554 -0.000524 0.003082 -0.000446
6.41431 17.32071 8.88054 0.000997 0.003630 -0.000141
11.14557 3.00954 10.98712 0.002634 0.004719 0.001542
9.36027 3.86210 16.23230 0.000057 0.006555 -0.004349
7.53966 17.41529 0.94072 -0.007994 0.002104 -0.010464
8.48774 8.36338 7.84778 -0.002325 0.002410 0.000844
5.72768 5.64505 7.08615 0.005324 -0.001589 0.004613
11.53162 12.14308 12.66419 0.000708 0.003417 0.000516
7.77778 8.79967 12.01567 0.003580 0.003017 0.002311
7.67148 7.97660 16.05599 0.002005 0.006498 0.003286
11.96712 14.11387 5.69832 0.000347 0.008888 -0.001805
9.20674 0.45352 5.13285 -0.003036 0.001190 -0.002406
12.42086 17.27854 3.71166 0.005406 -0.000274 -0.000490
5.72984 12.20671 9.71226 0.000260 0.001250 -0.000030
7.06651 14.59485 10.54611 -0.000352 0.005001 0.000277
8.18003 0.43236 13.34917 0.001767 0.000206 -0.000689
12.13433 16.79403 17.35819 -0.007499 0.006772 -0.002337
12.47800 1.85419 1.86970 0.011740 0.010958 0.013773
16.61133 3.22326 2.47663 -0.131996 -0.061385 0.045685
14.18380 5.80672 3.64923 0.013041 0.001458 0.008011
14.87276 2.50739 12.03337 0.005760 0.008269 0.012083
14.23243 6.19147 1.27631 -0.002915 0.022698 -0.000063
12.93327 8.58137 1.02753 -0.002557 0.010116 0.000882
0.31818 10.15222 5.96061 0.004661 0.007428 0.003402
0.23893 8.66414 13.84372 0.001575 0.012644 -0.006881
17.08408 11.06555 14.99139 0.003813 0.012841 0.001792
14.24371 8.22849 15.33189 0.009688 -0.003018 0.001334
17.03243 0.72423 4.52831 0.023301 -0.051295 -0.006266
14.06257 14.70897 3.69175 -0.023148 -0.000697 0.002110
11.55248 15.52990 9.11606 -0.005092 -0.001281 -0.004665
15.79992 0.71375 12.92180 -0.022023 -0.019518 -0.054694
14.66771 14.92743 11.20480 -0.014799 -0.002791 -0.012054
13.59723 13.22883 15.45681 -0.006371 0.000165 0.002156
0.28893 16.96969 9.61776 -0.000015 0.000150 0.002628
5.14861 8.79609 15.34428 -0.000386 0.005305 -0.002805
16.57887 10.76457 1.44815 -0.005330 0.012428 -0.002819
3.32280 17.43531 6.45000 0.009777 -0.001827 -0.008103
7.22345 0.33037 16.74849 -0.002918 -0.008618 0.007059
8.80270 9.61454 10.81195 0.001020 0.004387 0.001569
8.32656 6.35754 16.39008 0.003651 0.003659 -0.001890
8.73549 15.20213 10.55252 0.000108 0.004758 -0.000001
11.35757 7.84337 0.68199 0.000033 0.004091 0.000119
17.07689 11.54135 5.11708 -0.002596 -0.001142 0.001913
1.05898 4.30352 7.32607 0.004031 0.021996 -0.011964
4.03509 12.56543 11.20951 0.000727 -0.003270 -0.007187
2.98241 12.61908 2.99845 0.042059 -0.066895 0.020933
13.02951 6.77394 13.23542 0.001720 0.001250 0.004459
9.81405 10.04557 13.02717 -0.001655 -0.003737 -0.000110
14.38062 12.44509 3.83928 -0.001339 -0.012266 0.000954
15.29130 12.60070 6.14349 -0.002585 -0.007833 0.007863
1.51212 12.17674 0.04632 0.001876 -0.086553 -0.056125
5.20365 1.54821 15.21091 -0.218250 0.076837 0.115525
6.79297 14.20253 8.32851 0.002167 0.002624 0.006592
11.61515 7.96197 6.76612 -0.001305 0.011401 0.002390
10.25461 10.96603 6.21744 -0.000378 0.011895 0.000445
11.90891 11.26603 4.43245 0.001630 0.010071 -0.000175
8.53540 10.78259 3.48001 -0.001106 0.003042 -0.003510
9.76681 9.93079 2.50215 0.000222 0.004051 0.000028
8.80784 11.23977 1.76494 -0.001990 0.000583 0.002298
14.97448 6.01037 8.35394 -0.007359 -0.002422 0.017141
10.93413 4.83383 7.59381 -0.001065 0.000302 0.004896
13.14865 5.92816 9.67432 -0.002949 0.006495 0.005388
12.65000 8.06887 9.52187 -0.001518 0.001282 -0.001800
13.90414 8.18239 10.79823 0.001688 0.002518 0.001546
12.16474 8.24325 11.23577 -0.001017 0.001798 0.001071
5.27827 14.04824 2.20496 -0.053229 0.039397 0.020266
10.20084 2.92381 1.69633 0.001125 -0.007561 -0.009310
7.46833 14.00510 0.41146 -0.007440 0.004568 0.002168
7.48179 15.39929 3.01468 -0.002733 0.008152 -0.000268
8.41010 16.93048 3.00754 0.000319 0.006898 0.002017
8.99741 15.53505 2.05618 0.004191 0.004915 0.001782
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 1 DIRECTION 2 : 0.538 2.846 0.351
rigid augmentation : 0.000 0.204 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : 0.538 -1.358 0.351
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 3/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 6( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258943; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258961; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01050025
-V(xc)+E(xc) XCENC = 0.01975300
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02873187
---------------------------------------------------
free energy TOTEN = -0.01947912 eV
energy without entropy = -0.01947912
----------------------------------------- Iteration 6( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258943; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258961; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.82967E+00 rms(broyden)= 0.82915E+00
rms(prec ) = 0.89730E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01050025
-V(xc)+E(xc) XCENC = 0.01975300
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01271548
---------------------------------------------------
free energy TOTEN = -0.00346273 eV
energy without entropy = -0.00346273
----------------------------------------- Iteration 6( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258954; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.50392E+00 rms(broyden)= 0.50387E+00
rms(prec ) = 0.55012E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4230
2.4230
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00993701
-V(xc)+E(xc) XCENC = 0.01748573
PAW double counting = 0.01082658 -0.01082771
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01267415
---------------------------------------------------
free energy TOTEN = -0.00512655 eV
energy without entropy = -0.00512655
----------------------------------------- Iteration 6( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258972; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.99424E-01 rms(broyden)= 0.99304E-01
rms(prec ) = 0.12385E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0579
1.7567 2.3591
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00933622
-V(xc)+E(xc) XCENC = 0.01619679
PAW double counting = 0.06855483 -0.06856080
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01288395
---------------------------------------------------
free energy TOTEN = -0.00602933 eV
energy without entropy = -0.00602933
----------------------------------------- Iteration 6( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258978; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258495; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.46210E-01 rms(broyden)= 0.46181E-01
rms(prec ) = 0.61273E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7642
2.6644 0.8703 1.7579
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00901888
-V(xc)+E(xc) XCENC = 0.01588632
PAW double counting = 0.07443079 -0.07443630
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01316528
---------------------------------------------------
free energy TOTEN = -0.00630334 eV
energy without entropy = -0.00630334
----------------------------------------- Iteration 6( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258980; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258496; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: -0.000000
Broyden mixing:
rms(total) = 0.24358E-01 rms(broyden)= 0.24349E-01
rms(prec ) = 0.35367E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7866
2.8265 2.2188 1.0506 1.0506
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00900698
-V(xc)+E(xc) XCENC = 0.01593303
PAW double counting = 0.07784617 -0.07785193
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01318364
---------------------------------------------------
free energy TOTEN = -0.00626336 eV
energy without entropy = -0.00626336
----------------------------------------- Iteration 6( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258981; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258494; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10387E-01 rms(broyden)= 0.10378E-01
rms(prec ) = 0.16865E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7938
3.0976 2.3988 1.5247 0.9740 0.9740
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00900041
-V(xc)+E(xc) XCENC = 0.01599421
PAW double counting = 0.07763820 -0.07764384
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01320142
---------------------------------------------------
free energy TOTEN = -0.00621326 eV
energy without entropy = -0.00621326
----------------------------------------- Iteration 6( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54354E-02 rms(broyden)= 0.54305E-02
rms(prec ) = 0.86983E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8661
3.6335 2.5177 1.9133 1.1550 0.9885 0.9885
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00900005
-V(xc)+E(xc) XCENC = 0.01604301
PAW double counting = 0.07725722 -0.07726281
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01321079
---------------------------------------------------
free energy TOTEN = -0.00617342 eV
energy without entropy = -0.00617342
----------------------------------------- Iteration 6( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258983; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.27012E-02 rms(broyden)= 0.26971E-02
rms(prec ) = 0.38124E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9661
4.0778 2.7338 2.3515 1.4331 1.1074 1.1074 0.9515
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00899229
-V(xc)+E(xc) XCENC = 0.01606118
PAW double counting = 0.07701879 -0.07702436
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01322456
---------------------------------------------------
free energy TOTEN = -0.00616125 eV
energy without entropy = -0.00616125
----------------------------------------- Iteration 6( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.96813E-03 rms(broyden)= 0.96558E-03
rms(prec ) = 0.14131E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9464
4.5778 2.8448 2.4264 1.7327 1.0533 1.0533 1.0275 0.8554
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00899206
-V(xc)+E(xc) XCENC = 0.01606144
PAW double counting = 0.07700014 -0.07700576
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01322715
---------------------------------------------------
free energy TOTEN = -0.00616338 eV
energy without entropy = -0.00616338
----------------------------------------- Iteration 6( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.50955E-03 rms(broyden)= 0.50882E-03
rms(prec ) = 0.78048E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9563
4.7849 2.9086 2.4743 2.0140 1.4388 1.1004 1.1004 0.9428 0.8430
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00899029
-V(xc)+E(xc) XCENC = 0.01605890
PAW double counting = 0.07703189 -0.07703750
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01323055
---------------------------------------------------
free energy TOTEN = -0.00616754 eV
energy without entropy = -0.00616754
----------------------------------------- Iteration 6( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.23023E-03 rms(broyden)= 0.22989E-03
rms(prec ) = 0.37728E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9852
4.8932 3.3195 2.6404 2.2360 1.7211 1.1003 1.1003 1.0531 0.9372 0.8508
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00898976
-V(xc)+E(xc) XCENC = 0.01605753
PAW double counting = 0.07704358 -0.07704918
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01323253
---------------------------------------------------
free energy TOTEN = -0.00617037 eV
energy without entropy = -0.00617037
----------------------------------------- Iteration 6( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10395E-03 rms(broyden)= 0.10377E-03
rms(prec ) = 0.16825E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0042
5.1078 3.6793 2.7316 2.3824 1.8010 1.4080 1.0831 1.0831 0.9907 0.9307
0.8489
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00899024
-V(xc)+E(xc) XCENC = 0.01605749
PAW double counting = 0.07704421 -0.07704982
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01323303
---------------------------------------------------
free energy TOTEN = -0.00617139 eV
energy without entropy = -0.00617139
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0153 0.00000
5 -0.0251 0.00000
6 0.0431 0.00000
7 -0.0187 0.00000
8 0.0058 0.00000
9 0.0005 0.00000
10 -0.0080 0.00000
11 0.0835 0.00000
12 -0.1835 0.00000
13 -0.0311 0.00000
14 -0.0346 0.00000
15 0.0576 0.00000
16 0.3066 0.00000
17 0.0989 0.00000
18 0.0162 0.00000
19 -0.1125 0.00000
20 0.0304 0.00000
21 -0.0248 0.00000
22 0.1375 0.00000
23 -0.0708 0.00000
24 0.1415 0.00000
25 -0.0289 0.00000
26 -0.6292 0.00000
27 -0.6925 0.00000
28 0.0461 0.00000
29 0.0845 0.00000
30 -0.5855 0.00000
31 0.0910 0.00000
32 0.0139 0.00000
33 -0.0692 0.00000
34 -0.0637 0.00000
35 -0.0426 0.00000
36 0.0042 0.00000
37 0.0375 0.00000
38 -0.0371 0.00000
39 0.0570 0.00000
40 -0.0008 0.00000
41 -0.0515 0.00000
42 0.1391 0.00000
43 -0.1130 0.00000
44 -0.2155 0.00000
45 0.0683 0.00000
46 0.0598 0.00000
47 0.1566 0.00000
48 0.0468 0.00000
49 0.0070 0.00000
50 -0.0647 0.00000
51 -0.1672 0.00000
52 -0.0584 0.00000
53 -0.0110 0.00000
54 -0.0725 0.00000
55 -0.1401 0.00000
56 -0.1058 0.00000
57 -0.0561 0.00000
58 -0.0231 0.00000
59 0.0250 0.00000
60 -0.3221 0.00000
61 -0.0666 0.00000
62 -1.0450 0.00000
63 0.0192 0.00000
64 -0.0386 0.00000
65 -0.0968 0.00000
66 -0.3328 0.00000
67 0.1772 0.00000
68 0.0448 0.00000
69 -0.0526 0.00000
70 -0.0677 0.00000
71 -0.1928 0.00000
72 -0.1064 0.00000
73 -0.0129 0.00000
74 -0.0235 0.00000
75 -0.0909 0.00000
76 -0.1781 0.00000
77 -0.1331 0.00000
78 -0.1645 0.00000
79 -0.3978 0.00000
80 0.0035 0.00000
81 -0.3045 0.00000
82 -0.4268 0.00000
83 -0.0282 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1410 0.00000
89 0.1321 0.00000
90 -0.0040 0.00000
91 0.0893 0.00000
92 0.1405 0.00000
93 0.1080 0.00000
94 -0.0300 0.00000
95 0.6182 0.00000
96 0.7692 0.00000
97 -0.0301 0.00000
98 0.0478 0.00000
99 -0.0133 0.00000
100 0.0499 0.00000
101 -0.0783 0.00000
102 -0.0857 0.00000
103 0.0101 0.00000
104 0.1864 0.00000
105 0.0759 0.00000
106 0.0082 0.00000
107 0.0862 0.00000
108 -0.3023 0.00000
109 0.0776 0.00000
110 -0.0175 0.00000
111 -0.0114 0.00000
112 0.0636 0.00000
113 0.0590 0.00000
114 0.0006 0.00000
115 -0.0046 0.00000
116 0.0826 0.00000
117 0.0202 0.00000
118 0.3417 0.00000
119 -0.1123 0.00000
120 0.2612 0.00000
121 -0.0423 0.00000
122 -0.0219 0.00000
123 -0.1649 0.00000
124 -0.2813 0.00000
125 0.1135 0.00000
126 -0.0863 0.00000
127 -0.0431 0.00000
128 0.0228 0.00000
129 0.6617 0.00000
130 -0.0259 0.00000
131 0.0937 0.00000
132 0.0670 0.00000
133 -0.0355 0.00000
134 -0.0159 0.00000
135 0.0209 0.00000
136 -0.0529 0.00000
137 0.1283 0.00000
138 -0.1167 0.00000
139 -0.0783 0.00000
140 -0.0199 0.00000
141 -0.0140 0.00000
142 -0.0597 0.00000
143 0.0221 0.00000
144 0.0249 0.00000
145 -0.0107 0.00000
146 -0.0723 0.00000
147 -0.0876 0.00000
148 0.0755 0.00000
149 0.0296 0.00000
150 0.0471 0.00000
151 -0.0104 0.00000
152 -0.0461 0.00000
153 -0.0404 0.00000
154 -0.0026 0.00000
155 -0.2523 0.00000
156 0.1362 0.00000
157 0.0050 0.00000
158 -0.6689 0.00000
159 0.0599 0.00000
160 -0.0284 0.00000
161 0.0408 0.00000
162 0.0911 0.00000
163 -0.0677 0.00000
164 -0.0500 0.00000
165 -0.0497 0.00000
166 -0.0757 0.00000
167 0.0346 0.00000
168 -0.0337 0.00000
169 -0.0362 0.00000
170 -0.0322 0.00000
171 -0.0344 0.00000
172 0.0510 0.00000
173 -0.0272 0.00000
174 -0.1276 0.00000
175 -0.0065 0.00000
176 0.0321 0.00000
177 -0.0853 0.00000
178 0.0299 0.00000
179 -0.0164 0.00000
180 -0.1531 0.00000
181 0.0795 0.00000
182 -0.0667 0.00000
183 0.0008 0.00000
184 -0.3446 0.00000
185 0.0066 0.00000
186 -0.0164 0.00000
187 0.0309 0.00000
188 0.0522 0.00000
189 -0.1329 0.00000
190 -0.0167 0.00000
191 -0.0570 0.00000
192 -0.0275 0.00000
193 -0.0333 0.00000
194 -0.0192 0.00000
195 -0.4239 0.00000
196 -0.1118 0.00000
197 -0.2781 0.00000
198 0.0147 0.00000
199 -0.0343 0.00000
200 0.0013 0.00000
201 -0.0245 0.00000
202 -0.1505 0.00000
203 -0.0499 0.00000
204 -0.1244 0.00000
205 0.0938 0.00000
206 -0.0365 0.00000
207 -0.0016 0.00000
208 -0.0522 0.00000
209 -0.0481 0.00000
210 0.0903 0.00000
211 0.1257 0.00000
212 -0.1056 0.00000
213 0.0181 0.00000
214 -0.0031 0.00000
215 -0.0417 0.00000
216 -0.1067 0.00000
217 0.0151 0.00000
218 -0.1385 0.00000
219 -0.0659 0.00000
220 -0.0138 0.00000
221 -0.0287 0.00000
222 -0.0324 0.00000
223 0.0844 0.00000
224 0.1357 0.00000
225 -0.0800 0.00000
226 -0.0685 0.00000
227 -0.0630 0.00000
228 0.0017 0.00000
229 -0.0997 0.00000
230 -0.2145 0.00000
231 0.1368 0.00000
232 -0.0213 0.00000
233 -0.0473 0.00000
234 -0.0387 0.00000
235 0.4514 0.00000
236 0.0644 0.00000
237 0.0591 0.00000
238 0.4854 0.00000
239 0.0665 0.00000
240 0.1013 0.00000
241 0.2423 0.00000
242 0.2512 0.00000
243 -0.0102 0.00000
244 0.0294 0.00000
245 -0.0611 0.00000
246 0.0110 0.00000
247 0.0135 0.00000
248 0.0019 0.00000
249 -0.0114 0.00000
250 0.0369 0.00000
251 0.1494 0.00000
252 0.1148 0.00000
253 0.0471 0.00000
254 0.0428 0.00000
255 0.1563 0.00000
256 -0.0127 0.00000
257 -0.0684 0.00000
258 -0.1012 0.00000
259 0.0045 0.00000
260 0.1732 0.00000
261 0.1039 0.00000
262 0.0088 0.00000
263 -0.0078 0.00000
264 0.0194 0.00000
265 -0.0694 0.00000
266 0.1166 0.00000
267 -0.1228 0.00000
268 0.0545 0.00000
269 0.0277 0.00000
270 0.0278 0.00000
271 -0.0386 0.00000
272 0.0222 0.00000
273 0.0277 0.00000
274 0.0293 0.00000
275 -0.1212 0.00000
276 0.0974 0.00000
277 0.0620 0.00000
278 0.0580 0.00000
279 0.0278 0.00000
280 -0.0454 0.00000
281 0.0050 0.00000
282 0.0603 0.00000
283 -0.0074 0.00000
284 -0.0221 0.00000
285 0.0957 0.00000
286 -0.0010 0.00000
287 0.0746 0.00000
288 -0.0320 0.00000
289 0.0997 0.00000
290 -0.0285 0.00000
291 0.0448 0.00000
292 -0.0031 0.00000
293 0.0407 0.00000
294 0.0117 0.00000
295 0.0996 0.00000
296 -0.1025 0.00000
297 0.0835 0.00000
298 0.0196 0.00000
299 0.1221 0.00000
300 -0.0501 0.00000
301 0.0443 0.00000
302 -0.1577 0.00000
303 0.0318 0.00000
304 -0.0235 0.00000
305 -0.0274 0.00000
306 -0.2362 0.00000
307 0.0985 0.00000
308 -0.0903 0.00000
309 -0.3103 0.00000
310 0.0147 0.00000
311 -0.2065 0.00000
312 -0.2040 0.00000
313 0.0958 0.00000
314 -0.0290 0.00000
315 -0.0888 0.00000
316 0.0149 0.00000
317 0.0027 0.00000
318 -0.0170 0.00000
319 0.0370 0.00000
320 -0.0751 0.00000
321 0.0588 0.00000
322 -0.0674 0.00000
323 0.0282 0.00000
324 0.0059 0.00000
325 -0.0289 0.00000
326 -0.0353 0.00000
327 0.0148 0.00000
328 -0.1337 0.00000
329 0.0521 0.00000
330 0.0129 0.00000
331 0.0318 0.00000
332 0.0105 0.00000
333 0.0952 0.00000
334 -0.0071 0.00000
335 -0.0050 0.00000
336 0.0131 0.00000
337 0.0466 0.00000
338 0.0077 0.00000
339 -0.0404 0.00000
340 0.0122 0.00000
341 0.0283 0.00000
342 -0.0557 0.00000
343 0.0471 0.00000
344 0.0581 0.00000
345 -0.0856 0.00000
346 0.0597 0.00000
347 0.0616 0.00000
348 0.0697 0.00000
349 0.0125 0.00000
350 0.1013 0.00000
351 0.0345 0.00000
352 0.0385 0.00000
353 0.0027 0.00000
354 -0.0160 0.00000
355 0.0058 0.00000
356 -0.0127 0.00000
357 0.0307 0.00000
358 0.0246 0.00000
359 -0.0142 0.00000
360 -0.0254 0.00000
361 0.0101 0.00000
362 -0.0335 0.00000
363 0.0318 0.00000
364 -0.0344 0.00000
365 -0.0336 0.00000
366 0.0050 0.00000
367 0.0016 0.00000
368 -0.0428 0.00000
369 -0.0297 0.00000
370 0.0374 0.00000
371 -0.0087 0.00000
372 -0.0110 0.00000
373 0.0598 0.00000
374 0.0162 0.00000
375 -0.0546 0.00000
376 0.0319 0.00000
377 0.0259 0.00000
378 0.0031 0.00000
379 0.0058 0.00000
380 -0.0195 0.00000
381 -0.0806 0.00000
382 -0.0051 0.00000
383 -0.0033 0.00000
384 -0.0440 0.00000
385 0.0112 0.00000
386 0.0221 0.00000
387 -0.0609 0.00000
388 -0.0141 0.00000
389 -0.0272 0.00000
390 -0.0644 0.00000
391 0.0159 0.00000
392 -0.0754 0.00000
393 0.0149 0.00000
394 0.0252 0.00000
395 -0.0300 0.00000
396 0.0240 0.00000
397 -0.1019 0.00000
398 -0.0541 0.00000
399 -0.1121 0.00000
400 -0.0920 0.00000
401 -0.0130 0.00000
402 0.0817 0.00000
403 -0.0414 0.00000
404 -0.0451 0.00000
405 -0.0336 0.00000
406 0.0440 0.00000
407 -0.0122 0.00000
408 0.0471 0.00000
409 -0.1064 0.00000
410 -0.0337 0.00000
411 0.0397 0.00000
412 0.0587 0.00000
413 -0.0745 0.00000
414 -0.0508 0.00000
415 -0.0597 0.00000
416 -0.1355 0.00000
417 -0.1279 0.00000
418 -0.0597 0.00000
419 -0.0863 0.00000
420 -0.0324 0.00000
421 -0.0674 0.00000
422 -0.0173 0.00000
423 -0.0273 0.00000
424 -0.0255 0.00000
425 -0.0111 0.00000
426 0.0373 0.00000
427 -0.1136 0.00000
428 -0.0081 0.00000
429 -0.0335 0.00000
430 -0.0076 0.00000
431 -0.0547 0.00000
432 -0.1002 0.00000
433 -0.0507 0.00000
434 -0.1815 0.00000
435 -0.0718 0.00000
436 0.0110 0.00000
437 -0.0009 0.00000
438 -0.0253 0.00000
439 -0.0461 0.00000
440 -0.0322 0.00000
441 -0.0471 0.00000
442 -0.0000 0.00000
443 -0.0043 0.00000
444 0.0272 0.00000
445 0.0172 0.00000
446 -0.0298 0.00000
447 0.0172 0.00000
448 -0.0586 0.00000
449 0.0050 0.00000
450 -0.0463 0.00000
451 -0.0015 0.00000
452 -0.1128 0.00000
453 0.0050 0.00000
454 -0.0574 0.00000
455 0.0033 0.00000
456 -0.0521 0.00000
457 -0.0457 0.00000
458 -0.0248 0.00000
459 -0.1038 0.00000
460 -0.0421 0.00000
461 0.0305 0.00000
462 -0.0400 0.00000
463 -0.0307 0.00000
464 0.0035 0.00000
465 -0.0445 0.00000
466 0.0440 0.00000
467 -0.0235 0.00000
468 0.0055 0.00000
469 0.0226 0.00000
470 0.0434 0.00000
471 0.0160 0.00000
472 -0.0162 0.00000
473 0.0117 0.00000
474 -0.0247 0.00000
475 0.0864 0.00000
476 0.0178 0.00000
477 0.0027 0.00000
478 -0.0303 0.00000
479 0.0210 0.00000
480 -0.0998 0.00000
481 0.0334 0.00000
482 -0.0086 0.00000
483 0.0185 0.00000
484 0.0357 0.00000
485 0.0158 0.00000
486 0.0182 0.00000
487 -0.0281 0.00000
488 -0.0005 0.00000
489 -0.0388 0.00000
490 -0.0642 0.00000
491 0.0046 0.00000
492 -0.0009 0.00000
493 -0.0715 0.00000
494 -0.0867 0.00000
495 -0.0181 0.00000
496 -0.0368 0.00000
497 -0.0283 0.00000
498 -0.0142 0.00000
499 0.0209 0.00000
500 -0.0374 0.00000
501 -0.0197 0.00000
502 -0.0068 0.00000
503 0.0621 0.00000
504 0.0996 0.00000
505 -0.0072 0.00000
506 0.0947 0.00000
507 -0.0068 0.00000
508 0.0135 0.00000
509 -0.0065 0.00000
510 -0.0543 0.00000
511 -0.0987 0.00000
512 0.0617 0.00000
513 0.0538 0.00000
514 -0.1068 0.00000
515 -0.0102 0.00000
516 -0.0473 0.00000
517 -0.0254 0.00000
518 -0.0522 0.00000
519 0.0291 0.00000
520 0.0182 0.00000
521 -0.0023 0.00000
522 0.0391 0.00000
523 0.0286 0.00000
524 -0.0286 0.00000
525 -0.0298 0.00000
526 -0.1927 0.00000
527 -0.1409 0.00000
528 -0.1233 0.00000
529 -0.0595 0.00000
530 0.0057 0.00000
531 0.0312 0.00000
532 -0.1154 0.00000
533 -0.2460 0.00000
534 -0.0498 0.00000
535 0.0042 0.00000
536 -0.1306 0.00000
537 -0.0898 0.00000
538 0.2441 0.00000
539 -0.0226 0.00000
540 -0.0066 0.00000
541 -0.0579 0.00000
542 -0.0236 0.00000
543 0.0349 0.00000
544 0.0151 0.00000
545 -0.0052 0.00000
546 -0.0000 0.00000
547 -0.0621 0.00000
548 -0.0125 0.00000
549 0.1759 0.00000
550 0.0928 0.00000
551 -0.0414 0.00000
552 0.0462 0.00000
553 0.0804 0.00000
554 -0.0463 0.00000
555 0.0472 0.00000
556 0.0067 0.00000
557 0.0181 0.00000
558 -0.0796 0.00000
559 -0.0214 0.00000
560 -0.1159 0.00000
561 0.0272 0.00000
562 -0.1312 0.00000
563 -0.0675 0.00000
564 -0.0316 0.00000
565 -0.0063 0.00000
566 -0.0187 0.00000
567 -0.0248 0.00000
568 -0.0329 0.00000
569 0.0068 0.00000
570 -0.0854 0.00000
571 -0.0111 0.00000
572 0.0103 0.00000
573 0.0132 0.00000
574 -0.2238 0.00000
575 0.0363 0.00000
576 -0.0250 0.00000
577 0.1395 0.00000
578 0.1137 0.00000
579 -0.0687 0.00000
580 -0.0446 0.00000
581 0.1656 0.00000
582 -0.0164 0.00000
583 0.0082 0.00000
584 -0.0740 0.00000
585 -0.0665 0.00000
586 -0.0141 0.00000
587 -0.0859 0.00000
588 -0.0448 0.00000
589 -0.0233 0.00000
590 -0.0640 0.00000
591 -0.0066 0.00000
592 -0.0449 0.00000
593 -0.0155 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1243 0.00000
597 0.1282 0.00000
598 -0.0519 0.00000
599 -0.0464 0.00000
600 -0.0558 0.00000
601 -0.0856 0.00000
602 0.0070 0.00000
603 0.0851 0.00000
604 -0.0732 0.00000
605 0.0196 0.00000
606 0.0480 0.00000
607 -0.0178 0.00000
608 -0.0335 0.00000
609 0.0784 0.00000
610 -0.0482 0.00000
611 -0.0090 0.00000
612 -0.0328 0.00000
613 0.0568 0.00000
614 0.0148 0.00000
615 0.0021 0.00000
616 -0.0129 0.00000
617 0.0025 0.00000
618 0.0120 0.00000
619 -0.0013 0.00000
620 -0.0956 0.00000
621 0.0180 0.00000
622 0.0088 0.00000
623 0.0634 0.00000
624 0.0272 0.00000
625 0.0010 0.00000
626 0.1788 0.00000
627 0.0252 0.00000
628 0.0120 0.00000
629 0.0445 0.00000
630 -0.0066 0.00000
631 -0.0078 0.00000
632 0.0409 0.00000
633 0.0615 0.00000
634 0.0262 0.00000
635 0.0351 0.00000
636 0.0270 0.00000
637 -0.0531 0.00000
638 0.0988 0.00000
639 0.0761 0.00000
640 0.0288 0.00000
641 0.0837 0.00000
642 0.0323 0.00000
643 -0.0111 0.00000
644 0.0243 0.00000
645 -0.0126 0.00000
646 -0.0732 0.00000
647 0.0370 0.00000
648 0.0630 0.00000
649 0.0477 0.00000
650 0.0977 0.00000
651 0.0052 0.00000
652 -0.0297 0.00000
653 0.0230 0.00000
654 -0.0821 0.00000
655 0.1232 0.00000
656 -0.0393 0.00000
657 0.0403 0.00000
658 -0.0141 0.00000
659 0.0183 0.00000
660 0.0448 0.00000
661 0.0156 0.00000
662 -0.0299 0.00000
663 -0.0442 0.00000
664 -0.0665 0.00000
665 0.0015 0.00000
666 0.1393 0.00000
667 0.0854 0.00000
668 0.0211 0.00000
669 -0.0032 0.00000
670 0.0386 0.00000
671 -0.0498 0.00000
672 0.0625 0.00000
673 0.0255 0.00000
674 0.0303 0.00000
675 0.1407 0.00000
676 0.0579 0.00000
677 0.0816 0.00000
678 0.0296 0.00000
679 0.0293 0.00000
680 0.0485 0.00000
681 0.0099 0.00000
682 -0.0162 0.00000
683 -0.1950 0.00000
684 0.0130 0.00000
685 0.0930 0.00000
686 -0.0166 0.00000
687 0.0438 0.00000
688 -0.0197 0.00000
689 -0.0023 0.00000
690 0.0269 0.00000
691 0.0764 0.00000
692 0.0164 0.00000
693 -0.0286 0.00000
694 0.0060 0.00000
695 0.0151 0.00000
696 -0.0129 0.00000
697 -0.0091 0.00000
698 0.0285 0.00000
699 0.0613 0.00000
700 0.0501 0.00000
701 -0.0194 0.00000
702 0.0122 0.00000
703 0.0213 0.00000
704 0.0446 0.00000
705 0.0699 0.00000
706 0.0171 0.00000
707 0.0678 0.00000
708 0.0082 0.00000
709 -0.0060 0.00000
710 -0.0208 0.00000
711 0.0488 0.00000
712 0.0142 0.00000
713 -0.0681 0.00000
714 0.0744 0.00000
715 -0.0059 0.00000
716 0.0243 0.00000
717 -0.0077 0.00000
718 0.0423 0.00000
719 0.0317 0.00000
720 -0.0332 0.00000
721 0.0431 0.00000
722 0.0281 0.00000
723 -0.0432 0.00000
724 -0.0271 0.00000
725 0.0050 0.00000
726 0.0079 0.00000
727 0.1015 0.00000
728 0.0797 0.00000
729 0.0365 0.00000
730 -0.0238 0.00000
731 0.0491 0.00000
732 0.0330 0.00000
733 0.0348 0.00000
734 0.0673 0.00000
735 0.0915 0.00000
736 0.0447 0.00000
737 0.0251 0.00000
738 -0.0066 0.00000
739 -0.0138 0.00000
740 0.0372 0.00000
741 -0.1081 0.00000
742 0.0262 0.00000
743 -0.0438 0.00000
744 -0.0183 0.00000
745 -0.0178 0.00000
746 0.0386 0.00000
747 0.0570 0.00000
748 0.0068 0.00000
749 0.0121 0.00000
750 0.0191 0.00000
751 -0.0138 0.00000
752 0.0431 0.00000
753 -0.0329 0.00000
754 0.0523 0.00000
755 -0.0512 0.00000
756 0.0408 0.00000
757 0.0683 0.00000
758 -0.0074 0.00000
759 -0.0056 0.00000
760 0.0424 0.00000
761 -0.0058 0.00000
762 -0.0012 0.00000
763 0.0171 0.00000
764 0.0160 0.00000
765 0.0422 0.00000
766 -0.0136 0.00000
767 0.0409 0.00000
768 -0.0298 0.00000
769 -0.0254 0.00000
770 0.0154 0.00000
771 0.0463 0.00000
772 -0.0733 0.00000
773 0.0183 0.00000
774 0.0127 0.00000
775 -0.0298 0.00000
776 -0.0519 0.00000
777 0.0083 0.00000
778 0.0322 0.00000
779 0.0348 0.00000
780 0.0089 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0151 0.00000
5 -0.0253 0.00000
6 0.0433 0.00000
7 -0.0191 0.00000
8 0.0053 0.00000
9 0.0014 0.00000
10 -0.0072 0.00000
11 0.0833 0.00000
12 -0.1843 0.00000
13 -0.0311 0.00000
14 -0.0346 0.00000
15 0.0574 0.00000
16 0.3097 0.00000
17 0.0962 0.00000
18 0.0123 0.00000
19 -0.1148 0.00000
20 0.0360 0.00000
21 -0.0245 0.00000
22 0.1401 0.00000
23 -0.0517 0.00000
24 0.1030 0.00000
25 0.0395 0.00000
26 -0.9439 0.00000
27 -0.4293 0.00000
28 0.0140 0.00000
29 0.0843 0.00000
30 -0.5401 0.00000
31 0.0817 0.00000
32 0.0096 0.00000
33 -0.0697 0.00000
34 -0.0636 0.00000
35 -0.0423 0.00000
36 0.0078 0.00000
37 0.0408 0.00000
38 -0.0361 0.00000
39 0.0565 0.00000
40 -0.0010 0.00000
41 -0.0567 0.00000
42 0.0987 0.00000
43 -0.1112 0.00000
44 -0.2495 0.00000
45 0.1358 0.00000
46 0.1832 0.00000
47 0.0457 0.00000
48 0.0461 0.00000
49 -0.0474 0.00000
50 -0.0429 0.00000
51 -0.1344 0.00000
52 -0.0655 0.00000
53 -0.0063 0.00000
54 -0.1226 0.00000
55 -0.0719 0.00000
56 -0.1204 0.00000
57 -0.0553 0.00000
58 -0.0177 0.00000
59 0.0407 0.00000
60 -0.3456 0.00000
61 -0.4095 0.00000
62 -0.3219 0.00000
63 -0.4027 0.00000
64 -0.0295 0.00000
65 -0.1365 0.00000
66 -0.2631 0.00000
67 -0.0223 0.00000
68 0.2149 0.00000
69 -0.0338 0.00000
70 -0.1811 0.00000
71 -0.0702 0.00000
72 -0.1065 0.00000
73 -0.0177 0.00000
74 -0.0175 0.00000
75 -0.0830 0.00000
76 -0.1886 0.00000
77 -0.1272 0.00000
78 -0.1517 0.00000
79 -0.4183 0.00000
80 0.0030 0.00000
81 -0.3043 0.00000
82 -0.4265 0.00000
83 -0.0283 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1340 0.00000
90 -0.0032 0.00000
91 0.0966 0.00000
92 0.1090 0.00000
93 0.1290 0.00000
94 -0.0068 0.00000
95 0.6779 0.00000
96 0.6535 0.00000
97 -0.0235 0.00000
98 0.0410 0.00000
99 0.0111 0.00000
100 0.0444 0.00000
101 -0.0482 0.00000
102 -0.0980 0.00000
103 -0.0380 0.00000
104 0.2803 0.00000
105 0.0002 0.00000
106 0.0376 0.00000
107 0.1036 0.00000
108 -0.2838 0.00000
109 0.0220 0.00000
110 -0.0211 0.00000
111 0.0166 0.00000
112 0.0717 0.00000
113 0.0507 0.00000
114 -0.0323 0.00000
115 0.0397 0.00000
116 0.1140 0.00000
117 -0.0378 0.00000
118 0.3225 0.00000
119 -0.1133 0.00000
120 0.2218 0.00000
121 0.0406 0.00000
122 -0.0491 0.00000
123 -0.0624 0.00000
124 -0.3547 0.00000
125 0.0958 0.00000
126 -0.0800 0.00000
127 -0.0402 0.00000
128 0.0226 0.00000
129 0.6929 0.00000
130 0.0064 0.00000
131 0.0676 0.00000
132 0.0402 0.00000
133 -0.0609 0.00000
134 -0.0091 0.00000
135 0.0210 0.00000
136 -0.0373 0.00000
137 0.1126 0.00000
138 -0.1186 0.00000
139 -0.0820 0.00000
140 -0.0148 0.00000
141 -0.0152 0.00000
142 -0.0598 0.00000
143 0.0224 0.00000
144 0.0249 0.00000
145 -0.0124 0.00000
146 -0.0694 0.00000
147 -0.0882 0.00000
148 0.0827 0.00000
149 0.0237 0.00000
150 0.0458 0.00000
151 -0.0323 0.00000
152 0.0912 0.00000
153 -0.1371 0.00000
154 -0.0080 0.00000
155 -0.2505 0.00000
156 -0.0022 0.00000
157 -0.1698 0.00000
158 -0.1311 0.00000
159 0.0992 0.00000
160 -0.2444 0.00000
161 0.0913 0.00000
162 -0.0766 0.00000
163 -0.0527 0.00000
164 -0.0299 0.00000
165 -0.0245 0.00000
166 -0.0214 0.00000
167 -0.0087 0.00000
168 -0.1308 0.00000
169 0.0350 0.00000
170 -0.0815 0.00000
171 0.0712 0.00000
172 -0.0299 0.00000
173 -0.1584 0.00000
174 0.0681 0.00000
175 0.0215 0.00000
176 0.0152 0.00000
177 -0.0738 0.00000
178 -0.0552 0.00000
179 -0.0037 0.00000
180 -0.0778 0.00000
181 0.0169 0.00000
182 0.0290 0.00000
183 -0.2888 0.00000
184 -0.1450 0.00000
185 0.0081 0.00000
186 0.0038 0.00000
187 0.0097 0.00000
188 -0.0268 0.00000
189 0.0133 0.00000
190 -0.0888 0.00000
191 -0.0398 0.00000
192 -0.0139 0.00000
193 -0.0050 0.00000
194 -0.0844 0.00000
195 -0.5327 0.00000
196 -0.0878 0.00000
197 0.0249 0.00000
198 -0.1835 0.00000
199 -0.0361 0.00000
200 0.0182 0.00000
201 -0.1275 0.00000
202 -0.0063 0.00000
203 -0.0383 0.00000
204 -0.0229 0.00000
205 -0.0353 0.00000
206 -0.0559 0.00000
207 -0.0908 0.00000
208 0.0169 0.00000
209 -0.0358 0.00000
210 0.0715 0.00000
211 0.0375 0.00000
212 -0.0260 0.00000
213 -0.0893 0.00000
214 0.0972 0.00000
215 0.0131 0.00000
216 -0.0219 0.00000
217 -0.1098 0.00000
218 -0.1214 0.00000
219 -0.0114 0.00000
220 -0.0186 0.00000
221 -0.0396 0.00000
222 -0.1000 0.00000
223 0.0561 0.00000
224 0.1517 0.00000
225 -0.0616 0.00000
226 -0.0766 0.00000
227 -0.0741 0.00000
228 -0.0111 0.00000
229 -0.1040 0.00000
230 -0.1752 0.00000
231 0.1367 0.00000
232 -0.0292 0.00000
233 -0.0413 0.00000
234 -0.0081 0.00000
235 0.4081 0.00000
236 0.2291 0.00000
237 0.0012 0.00000
238 0.3207 0.00000
239 0.1925 0.00000
240 0.0632 0.00000
241 0.2764 0.00000
242 0.0512 0.00000
243 -0.0013 0.00000
244 -0.0587 0.00000
245 0.1351 0.00000
246 0.0009 0.00000
247 0.0229 0.00000
248 -0.0077 0.00000
249 0.0207 0.00000
250 0.0416 0.00000
251 0.0837 0.00000
252 0.2623 0.00000
253 0.0133 0.00000
254 0.1799 0.00000
255 0.0561 0.00000
256 -0.1551 0.00000
257 0.0002 0.00000
258 -0.0407 0.00000
259 0.0790 0.00000
260 0.0179 0.00000
261 0.0792 0.00000
262 0.0630 0.00000
263 -0.0735 0.00000
264 0.0293 0.00000
265 0.0622 0.00000
266 0.0223 0.00000
267 0.0046 0.00000
268 0.0458 0.00000
269 -0.0001 0.00000
270 0.0326 0.00000
271 -0.0094 0.00000
272 0.0237 0.00000
273 0.1351 0.00000
274 -0.0765 0.00000
275 -0.0050 0.00000
276 -0.0470 0.00000
277 -0.1383 0.00000
278 0.0416 0.00000
279 0.0178 0.00000
280 -0.0025 0.00000
281 0.0450 0.00000
282 0.0700 0.00000
283 0.0091 0.00000
284 -0.0200 0.00000
285 0.0099 0.00000
286 -0.0259 0.00000
287 -0.0118 0.00000
288 0.0814 0.00000
289 0.0805 0.00000
290 0.0821 0.00000
291 0.0095 0.00000
292 -0.0669 0.00000
293 0.0699 0.00000
294 0.0646 0.00000
295 0.0231 0.00000
296 0.1326 0.00000
297 0.0403 0.00000
298 -0.1905 0.00000
299 0.1532 0.00000
300 0.0544 0.00000
301 -0.0518 0.00000
302 -0.0212 0.00000
303 -0.0129 0.00000
304 0.0468 0.00000
305 -0.1090 0.00000
306 -0.4070 0.00000
307 0.0374 0.00000
308 0.0646 0.00000
309 0.0371 0.00000
310 -0.4817 0.00000
311 0.0104 0.00000
312 -0.0134 0.00000
313 0.0129 0.00000
314 -0.0877 0.00000
315 -0.0753 0.00000
316 -0.0265 0.00000
317 -0.0176 0.00000
318 -0.0016 0.00000
319 0.0177 0.00000
320 -0.0341 0.00000
321 0.0709 0.00000
322 -0.0461 0.00000
323 -0.0304 0.00000
324 -0.0266 0.00000
325 0.0349 0.00000
326 0.0092 0.00000
327 -0.0236 0.00000
328 -0.0531 0.00000
329 -0.0035 0.00000
330 -0.0381 0.00000
331 0.0339 0.00000
332 0.0494 0.00000
333 -0.0077 0.00000
334 -0.0018 0.00000
335 0.0408 0.00000
336 0.0159 0.00000
337 0.0479 0.00000
338 0.0193 0.00000
339 -0.0281 0.00000
340 0.0424 0.00000
341 -0.0097 0.00000
342 0.0113 0.00000
343 -0.0086 0.00000
344 0.0963 0.00000
345 -0.0093 0.00000
346 0.0198 0.00000
347 -0.0726 0.00000
348 0.0464 0.00000
349 0.0759 0.00000
350 0.0006 0.00000
351 -0.0133 0.00000
352 0.0952 0.00000
353 0.0036 0.00000
354 0.0447 0.00000
355 -0.0213 0.00000
356 0.1085 0.00000
357 0.0597 0.00000
358 -0.0044 0.00000
359 -0.0215 0.00000
360 -0.0597 0.00000
361 -0.0196 0.00000
362 -0.0324 0.00000
363 0.0043 0.00000
364 -0.0019 0.00000
365 -0.0257 0.00000
366 -0.0099 0.00000
367 0.0189 0.00000
368 -0.0154 0.00000
369 0.0006 0.00000
370 0.0559 0.00000
371 -0.0606 0.00000
372 -0.0448 0.00000
373 0.0113 0.00000
374 0.0552 0.00000
375 -0.0439 0.00000
376 -0.0383 0.00000
377 0.0104 0.00000
378 0.0207 0.00000
379 0.0325 0.00000
380 -0.0512 0.00000
381 -0.0162 0.00000
382 -0.0409 0.00000
383 -0.0593 0.00000
384 -0.0165 0.00000
385 -0.1115 0.00000
386 0.0294 0.00000
387 0.0127 0.00000
388 0.0292 0.00000
389 -0.0298 0.00000
390 -0.0520 0.00000
391 -0.0060 0.00000
392 -0.0069 0.00000
393 -0.0051 0.00000
394 -0.0530 0.00000
395 0.0224 0.00000
396 -0.0446 0.00000
397 0.0268 0.00000
398 0.0202 0.00000
399 -0.0346 0.00000
400 -0.0088 0.00000
401 0.0201 0.00000
402 -0.0079 0.00000
403 0.0320 0.00000
404 0.0265 0.00000
405 -0.1021 0.00000
406 -0.0188 0.00000
407 -0.1192 0.00000
408 -0.1256 0.00000
409 -0.0055 0.00000
410 -0.0902 0.00000
411 0.0280 0.00000
412 -0.0931 0.00000
413 0.0232 0.00000
414 -0.0394 0.00000
415 -0.0513 0.00000
416 -0.1442 0.00000
417 0.0261 0.00000
418 -0.0792 0.00000
419 -0.1530 0.00000
420 -0.0361 0.00000
421 -0.0778 0.00000
422 -0.0991 0.00000
423 -0.0351 0.00000
424 -0.0638 0.00000
425 0.0451 0.00000
426 -0.0112 0.00000
427 -0.0336 0.00000
428 0.0278 0.00000
429 -0.0738 0.00000
430 -0.1190 0.00000
431 -0.0456 0.00000
432 -0.0887 0.00000
433 -0.0282 0.00000
434 -0.0115 0.00000
435 -0.0679 0.00000
436 -0.0404 0.00000
437 0.0013 0.00000
438 0.0071 0.00000
439 0.0503 0.00000
440 -0.0042 0.00000
441 0.0103 0.00000
442 -0.0422 0.00000
443 0.0550 0.00000
444 -0.0903 0.00000
445 0.0026 0.00000
446 0.0342 0.00000
447 -0.0221 0.00000
448 -0.1631 0.00000
449 -0.1025 0.00000
450 0.0324 0.00000
451 -0.0710 0.00000
452 -0.0705 0.00000
453 -0.0131 0.00000
454 -0.0169 0.00000
455 0.0008 0.00000
456 0.0015 0.00000
457 -0.1443 0.00000
458 0.0086 0.00000
459 -0.0218 0.00000
460 -0.0564 0.00000
461 0.1427 0.00000
462 -0.0015 0.00000
463 -0.0346 0.00000
464 -0.0623 0.00000
465 -0.0465 0.00000
466 -0.0490 0.00000
467 0.0216 0.00000
468 -0.0246 0.00000
469 0.0614 0.00000
470 0.0046 0.00000
471 -0.0428 0.00000
472 -0.0481 0.00000
473 0.0359 0.00000
474 0.1792 0.00000
475 0.0104 0.00000
476 -0.0323 0.00000
477 0.0392 0.00000
478 -0.0535 0.00000
479 -0.0678 0.00000
480 0.1067 0.00000
481 -0.0030 0.00000
482 -0.0353 0.00000
483 -0.0625 0.00000
484 0.0054 0.00000
485 0.0091 0.00000
486 -0.0637 0.00000
487 0.0380 0.00000
488 0.0059 0.00000
489 0.0092 0.00000
490 -0.0110 0.00000
491 0.0517 0.00000
492 -0.0017 0.00000
493 -0.0178 0.00000
494 0.0004 0.00000
495 -0.0601 0.00000
496 -0.1915 0.00000
497 -0.0326 0.00000
498 0.0378 0.00000
499 -0.1119 0.00000
500 0.0127 0.00000
501 -0.0090 0.00000
502 -0.0155 0.00000
503 0.0080 0.00000
504 0.0092 0.00000
505 -0.0376 0.00000
506 0.0346 0.00000
507 -0.0163 0.00000
508 0.0203 0.00000
509 -0.0216 0.00000
510 -0.0026 0.00000
511 -0.0079 0.00000
512 0.0564 0.00000
513 -0.1264 0.00000
514 0.1282 0.00000
515 -0.0345 0.00000
516 -0.1086 0.00000
517 -0.0029 0.00000
518 -0.0802 0.00000
519 -0.0430 0.00000
520 -0.0096 0.00000
521 0.0123 0.00000
522 0.0263 0.00000
523 0.0342 0.00000
524 0.0509 0.00000
525 -0.0440 0.00000
526 0.0591 0.00000
527 -0.1420 0.00000
528 -0.1041 0.00000
529 -0.0644 0.00000
530 -0.0196 0.00000
531 -0.0683 0.00000
532 -0.0514 0.00000
533 -0.0719 0.00000
534 -0.0677 0.00000
535 0.0052 0.00000
536 -0.0530 0.00000
537 0.0272 0.00000
538 -0.0450 0.00000
539 -0.1469 0.00000
540 -0.0124 0.00000
541 0.0364 0.00000
542 -0.0397 0.00000
543 -0.0242 0.00000
544 0.1770 0.00000
545 -0.0261 0.00000
546 0.0094 0.00000
547 -0.0665 0.00000
548 0.0587 0.00000
549 -0.0192 0.00000
550 -0.0087 0.00000
551 0.1182 0.00000
552 0.0267 0.00000
553 0.0128 0.00000
554 -0.0129 0.00000
555 0.0593 0.00000
556 -0.0306 0.00000
557 -0.0249 0.00000
558 0.0331 0.00000
559 -0.1153 0.00000
560 -0.0392 0.00000
561 -0.0088 0.00000
562 -0.1331 0.00000
563 -0.1943 0.00000
564 -0.0424 0.00000
565 -0.0192 0.00000
566 0.0080 0.00000
567 -0.0731 0.00000
568 -0.0356 0.00000
569 0.0104 0.00000
570 -0.0157 0.00000
571 -0.0032 0.00000
572 -0.0137 0.00000
573 0.0400 0.00000
574 -0.0760 0.00000
575 -0.0312 0.00000
576 -0.0432 0.00000
577 -0.1658 0.00000
578 0.3341 0.00000
579 0.1875 0.00000
580 -0.0152 0.00000
581 -0.0349 0.00000
582 -0.0432 0.00000
583 0.0455 0.00000
584 -0.1332 0.00000
585 -0.0117 0.00000
586 -0.0150 0.00000
587 -0.0948 0.00000
588 -0.0300 0.00000
589 -0.0238 0.00000
590 -0.0844 0.00000
591 0.0129 0.00000
592 -0.0489 0.00000
593 -0.0131 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1243 0.00000
597 0.1281 0.00000
598 -0.0280 0.00000
599 -0.1196 0.00000
600 0.0021 0.00000
601 -0.0194 0.00000
602 0.0123 0.00000
603 0.0441 0.00000
604 -0.0794 0.00000
605 -0.0087 0.00000
606 -0.0335 0.00000
607 -0.0173 0.00000
608 0.0198 0.00000
609 0.0360 0.00000
610 -0.1000 0.00000
611 0.0535 0.00000
612 0.1276 0.00000
613 0.0029 0.00000
614 -0.0197 0.00000
615 -0.0237 0.00000
616 -0.0328 0.00000
617 -0.0064 0.00000
618 -0.0208 0.00000
619 0.0064 0.00000
620 0.0607 0.00000
621 0.0404 0.00000
622 0.0730 0.00000
623 0.0234 0.00000
624 -0.0700 0.00000
625 0.0094 0.00000
626 0.0703 0.00000
627 0.0221 0.00000
628 0.0298 0.00000
629 0.0498 0.00000
630 -0.0237 0.00000
631 0.0659 0.00000
632 -0.0016 0.00000
633 0.0161 0.00000
634 -0.0134 0.00000
635 0.1322 0.00000
636 -0.0017 0.00000
637 0.0322 0.00000
638 0.0679 0.00000
639 0.0329 0.00000
640 0.0166 0.00000
641 0.0298 0.00000
642 0.0497 0.00000
643 0.0360 0.00000
644 0.0581 0.00000
645 -0.0152 0.00000
646 -0.0348 0.00000
647 0.0314 0.00000
648 -0.0254 0.00000
649 0.1177 0.00000
650 0.0927 0.00000
651 0.0253 0.00000
652 0.0224 0.00000
653 0.0344 0.00000
654 0.0157 0.00000
655 -0.0173 0.00000
656 -0.0295 0.00000
657 0.0135 0.00000
658 0.0399 0.00000
659 0.0202 0.00000
660 -0.0180 0.00000
661 0.0091 0.00000
662 0.0334 0.00000
663 0.0226 0.00000
664 -0.0195 0.00000
665 0.0255 0.00000
666 -0.0267 0.00000
667 0.0470 0.00000
668 0.0339 0.00000
669 -0.0300 0.00000
670 -0.0896 0.00000
671 -0.0091 0.00000
672 0.1191 0.00000
673 -0.0084 0.00000
674 0.1610 0.00000
675 0.1018 0.00000
676 0.0222 0.00000
677 0.0043 0.00000
678 0.0393 0.00000
679 0.0488 0.00000
680 0.1279 0.00000
681 -0.0125 0.00000
682 0.0898 0.00000
683 -0.1373 0.00000
684 0.0548 0.00000
685 0.1037 0.00000
686 -0.0191 0.00000
687 0.0739 0.00000
688 -0.0167 0.00000
689 -0.0529 0.00000
690 -0.0097 0.00000
691 0.0142 0.00000
692 0.0091 0.00000
693 0.0183 0.00000
694 -0.0349 0.00000
695 -0.0155 0.00000
696 0.0262 0.00000
697 0.0227 0.00000
698 -0.0158 0.00000
699 0.0117 0.00000
700 -0.0222 0.00000
701 -0.0294 0.00000
702 0.0034 0.00000
703 -0.0392 0.00000
704 0.0435 0.00000
705 0.0101 0.00000
706 -0.0244 0.00000
707 0.0248 0.00000
708 0.0408 0.00000
709 0.0627 0.00000
710 0.0581 0.00000
711 -0.0067 0.00000
712 0.0529 0.00000
713 0.0121 0.00000
714 0.0715 0.00000
715 -0.0192 0.00000
716 -0.0105 0.00000
717 0.0800 0.00000
718 0.0548 0.00000
719 -0.0214 0.00000
720 0.0287 0.00000
721 0.0727 0.00000
722 0.0382 0.00000
723 0.0092 0.00000
724 0.0077 0.00000
725 -0.0491 0.00000
726 0.0236 0.00000
727 0.0302 0.00000
728 -0.0568 0.00000
729 0.0523 0.00000
730 0.0641 0.00000
731 0.0168 0.00000
732 0.0375 0.00000
733 0.0486 0.00000
734 0.0212 0.00000
735 0.0693 0.00000
736 -0.0090 0.00000
737 -0.0940 0.00000
738 0.0569 0.00000
739 0.0217 0.00000
740 0.0120 0.00000
741 -0.0037 0.00000
742 0.0414 0.00000
743 -0.0493 0.00000
744 0.0659 0.00000
745 0.0017 0.00000
746 -0.1357 0.00000
747 -0.0023 0.00000
748 0.0180 0.00000
749 0.0348 0.00000
750 0.0529 0.00000
751 0.0537 0.00000
752 -0.0020 0.00000
753 0.0224 0.00000
754 0.0156 0.00000
755 0.0806 0.00000
756 0.0599 0.00000
757 -0.0103 0.00000
758 0.0104 0.00000
759 -0.0170 0.00000
760 0.0281 0.00000
761 0.0669 0.00000
762 0.0120 0.00000
763 0.0220 0.00000
764 -0.0232 0.00000
765 -0.0228 0.00000
766 -0.0576 0.00000
767 0.0008 0.00000
768 -0.0228 0.00000
769 0.0258 0.00000
770 0.0195 0.00000
771 0.0068 0.00000
772 -0.0031 0.00000
773 -0.0041 0.00000
774 -0.0416 0.00000
775 -0.0123 0.00000
776 -0.0531 0.00000
777 0.0019 0.00000
778 0.0138 0.00000
779 0.0296 0.00000
780 0.0171 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0153 0.00000
5 -0.0250 0.00000
6 0.0435 0.00000
7 -0.0192 0.00000
8 0.0055 0.00000
9 0.0010 0.00000
10 -0.0080 0.00000
11 0.0835 0.00000
12 -0.1834 0.00000
13 -0.0311 0.00000
14 -0.0346 0.00000
15 0.0576 0.00000
16 0.3945 0.00000
17 -0.0074 0.00000
18 0.0314 0.00000
19 -0.1304 0.00000
20 0.0582 0.00000
21 -0.0248 0.00000
22 0.1301 0.00000
23 -0.0716 0.00000
24 0.1374 0.00000
25 -0.0229 0.00000
26 -0.7266 0.00000
27 -0.5968 0.00000
28 0.0596 0.00000
29 0.0655 0.00000
30 -0.5547 0.00000
31 0.0602 0.00000
32 -0.0046 0.00000
33 -0.0610 0.00000
34 -0.0719 0.00000
35 -0.0345 0.00000
36 0.0987 0.00000
37 -0.0809 0.00000
38 -0.0149 0.00000
39 0.0044 0.00000
40 0.0738 0.00000
41 -0.0582 0.00000
42 0.1384 0.00000
43 -0.1132 0.00000
44 -0.0916 0.00000
45 -0.0494 0.00000
46 0.1119 0.00000
47 0.0878 0.00000
48 0.0882 0.00000
49 -0.0333 0.00000
50 0.0238 0.00000
51 -0.1322 0.00000
52 -0.1904 0.00000
53 -0.0069 0.00000
54 -0.1094 0.00000
55 -0.1275 0.00000
56 -0.0466 0.00000
57 -0.0582 0.00000
58 -0.0555 0.00000
59 0.0300 0.00000
60 -0.3144 0.00000
61 -0.1243 0.00000
62 -0.8012 0.00000
63 -0.1820 0.00000
64 -0.0367 0.00000
65 -0.1509 0.00000
66 -0.2531 0.00000
67 0.1961 0.00000
68 0.0166 0.00000
69 -0.0512 0.00000
70 -0.0683 0.00000
71 -0.1912 0.00000
72 -0.1063 0.00000
73 -0.0130 0.00000
74 -0.0235 0.00000
75 -0.0903 0.00000
76 -0.1780 0.00000
77 -0.1300 0.00000
78 -0.1723 0.00000
79 -0.3947 0.00000
80 0.0039 0.00000
81 -0.3044 0.00000
82 -0.4268 0.00000
83 -0.0282 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1321 0.00000
90 -0.0035 0.00000
91 0.0901 0.00000
92 0.1392 0.00000
93 0.1070 0.00000
94 -0.0216 0.00000
95 0.6123 0.00000
96 0.7795 0.00000
97 -0.0288 0.00000
98 -0.0023 0.00000
99 0.0025 0.00000
100 0.0546 0.00000
101 -0.0720 0.00000
102 -0.0915 0.00000
103 -0.0331 0.00000
104 0.2875 0.00000
105 0.0476 0.00000
106 -0.0262 0.00000
107 0.0426 0.00000
108 -0.2028 0.00000
109 0.0334 0.00000
110 0.0330 0.00000
111 -0.0540 0.00000
112 0.0432 0.00000
113 0.0991 0.00000
114 0.0135 0.00000
115 -0.0200 0.00000
116 0.0803 0.00000
117 0.0125 0.00000
118 0.3342 0.00000
119 -0.1085 0.00000
120 0.2770 0.00000
121 -0.0666 0.00000
122 -0.0339 0.00000
123 -0.0843 0.00000
124 -0.3689 0.00000
125 0.1412 0.00000
126 -0.0780 0.00000
127 -0.0339 0.00000
128 -0.0056 0.00000
129 0.6863 0.00000
130 -0.0352 0.00000
131 0.0703 0.00000
132 0.0744 0.00000
133 -0.0262 0.00000
134 -0.0145 0.00000
135 0.0197 0.00000
136 -0.0499 0.00000
137 0.1283 0.00000
138 -0.1138 0.00000
139 -0.0874 0.00000
140 -0.0211 0.00000
141 -0.0140 0.00000
142 -0.0591 0.00000
143 0.0300 0.00000
144 0.0188 0.00000
145 -0.0098 0.00000
146 -0.0716 0.00000
147 -0.0875 0.00000
148 0.0855 0.00000
149 0.0161 0.00000
150 0.0369 0.00000
151 -0.0054 0.00000
152 0.0342 0.00000
153 -0.0853 0.00000
154 -0.0951 0.00000
155 -0.1236 0.00000
156 0.0674 0.00000
157 -0.6198 0.00000
158 0.1363 0.00000
159 0.0609 0.00000
160 -0.0822 0.00000
161 -0.0548 0.00000
162 0.0858 0.00000
163 0.0257 0.00000
164 0.0003 0.00000
165 -0.0687 0.00000
166 -0.1839 0.00000
167 0.0040 0.00000
168 -0.2285 0.00000
169 0.0409 0.00000
170 0.1190 0.00000
171 -0.0365 0.00000
172 -0.0427 0.00000
173 -0.0115 0.00000
174 -0.0630 0.00000
175 -0.0575 0.00000
176 0.0254 0.00000
177 -0.0257 0.00000
178 -0.0153 0.00000
179 -0.0556 0.00000
180 -0.0391 0.00000
181 0.0198 0.00000
182 -0.0919 0.00000
183 -0.0489 0.00000
184 -0.2111 0.00000
185 -0.0012 0.00000
186 -0.0824 0.00000
187 0.0474 0.00000
188 -0.0265 0.00000
189 -0.1502 0.00000
190 -0.0564 0.00000
191 -0.0257 0.00000
192 0.0493 0.00000
193 0.0175 0.00000
194 -0.0813 0.00000
195 -0.2863 0.00000
196 -0.0797 0.00000
197 -0.1740 0.00000
198 -0.2101 0.00000
199 -0.0422 0.00000
200 -0.1330 0.00000
201 -0.0463 0.00000
202 -0.0036 0.00000
203 -0.0266 0.00000
204 0.0458 0.00000
205 -0.0842 0.00000
206 -0.0181 0.00000
207 -0.0091 0.00000
208 -0.0237 0.00000
209 -0.1042 0.00000
210 0.0884 0.00000
211 0.1308 0.00000
212 -0.0950 0.00000
213 -0.0083 0.00000
214 0.0191 0.00000
215 -0.0609 0.00000
216 -0.1410 0.00000
217 -0.0863 0.00000
218 -0.0180 0.00000
219 -0.0132 0.00000
220 -0.0492 0.00000
221 0.0213 0.00000
222 -0.0404 0.00000
223 0.0817 0.00000
224 0.1024 0.00000
225 -0.0589 0.00000
226 -0.0784 0.00000
227 -0.0631 0.00000
228 0.0004 0.00000
229 -0.1026 0.00000
230 -0.2121 0.00000
231 0.1371 0.00000
232 -0.0110 0.00000
233 -0.0530 0.00000
234 -0.0386 0.00000
235 0.4276 0.00000
236 0.1248 0.00000
237 0.5419 0.00000
238 0.0469 0.00000
239 -0.0055 0.00000
240 0.0755 0.00000
241 0.2342 0.00000
242 0.2853 0.00000
243 0.0121 0.00000
244 0.0414 0.00000
245 -0.0871 0.00000
246 -0.0002 0.00000
247 -0.0022 0.00000
248 0.0045 0.00000
249 -0.0120 0.00000
250 0.0637 0.00000
251 0.0122 0.00000
252 0.3312 0.00000
253 0.0648 0.00000
254 0.0264 0.00000
255 -0.0071 0.00000
256 -0.1077 0.00000
257 0.0245 0.00000
258 -0.0285 0.00000
259 0.0999 0.00000
260 0.0714 0.00000
261 0.0846 0.00000
262 -0.0777 0.00000
263 0.0884 0.00000
264 -0.0270 0.00000
265 0.0402 0.00000
266 0.0699 0.00000
267 -0.0153 0.00000
268 -0.1277 0.00000
269 0.0640 0.00000
270 -0.0048 0.00000
271 0.0154 0.00000
272 0.0063 0.00000
273 0.0992 0.00000
274 -0.0277 0.00000
275 -0.0779 0.00000
276 0.1353 0.00000
277 0.1020 0.00000
278 -0.0036 0.00000
279 -0.0621 0.00000
280 -0.0107 0.00000
281 -0.0018 0.00000
282 0.0197 0.00000
283 0.0992 0.00000
284 0.0249 0.00000
285 -0.0510 0.00000
286 0.0596 0.00000
287 0.0929 0.00000
288 -0.0161 0.00000
289 -0.0811 0.00000
290 0.0267 0.00000
291 0.0889 0.00000
292 -0.0344 0.00000
293 0.0669 0.00000
294 0.0349 0.00000
295 -0.0851 0.00000
296 0.0984 0.00000
297 0.0549 0.00000
298 0.0771 0.00000
299 0.0293 0.00000
300 -0.0712 0.00000
301 0.1260 0.00000
302 -0.1262 0.00000
303 0.0476 0.00000
304 0.0118 0.00000
305 -0.3057 0.00000
306 0.0669 0.00000
307 -0.0430 0.00000
308 -0.0251 0.00000
309 -0.2309 0.00000
310 -0.0936 0.00000
311 -0.1603 0.00000
312 -0.0450 0.00000
313 -0.1115 0.00000
314 -0.0231 0.00000
315 -0.0315 0.00000
316 -0.0473 0.00000
317 -0.0420 0.00000
318 -0.0175 0.00000
319 0.0434 0.00000
320 -0.0058 0.00000
321 0.0550 0.00000
322 -0.0568 0.00000
323 -0.0299 0.00000
324 -0.0414 0.00000
325 -0.0984 0.00000
326 -0.0079 0.00000
327 0.0907 0.00000
328 -0.0468 0.00000
329 0.0192 0.00000
330 0.0070 0.00000
331 0.0421 0.00000
332 0.0681 0.00000
333 0.0264 0.00000
334 0.0172 0.00000
335 -0.0310 0.00000
336 0.0195 0.00000
337 -0.0064 0.00000
338 0.0395 0.00000
339 0.0295 0.00000
340 -0.0023 0.00000
341 -0.0179 0.00000
342 -0.0373 0.00000
343 0.0531 0.00000
344 -0.0220 0.00000
345 0.0534 0.00000
346 -0.0217 0.00000
347 0.0501 0.00000
348 -0.0122 0.00000
349 0.1193 0.00000
350 0.0513 0.00000
351 0.0037 0.00000
352 0.0193 0.00000
353 0.0041 0.00000
354 -0.0592 0.00000
355 0.0476 0.00000
356 0.0374 0.00000
357 0.1179 0.00000
358 -0.0080 0.00000
359 -0.0662 0.00000
360 -0.0437 0.00000
361 0.0026 0.00000
362 -0.0015 0.00000
363 0.0331 0.00000
364 -0.0403 0.00000
365 -0.0516 0.00000
366 0.0601 0.00000
367 -0.0020 0.00000
368 0.0268 0.00000
369 0.0035 0.00000
370 -0.0158 0.00000
371 -0.0338 0.00000
372 0.0696 0.00000
373 -0.0409 0.00000
374 -0.0004 0.00000
375 0.0310 0.00000
376 0.0054 0.00000
377 -0.0537 0.00000
378 -0.0411 0.00000
379 -0.0589 0.00000
380 0.0705 0.00000
381 -0.0262 0.00000
382 -0.0398 0.00000
383 -0.0270 0.00000
384 -0.0619 0.00000
385 0.0251 0.00000
386 -0.0622 0.00000
387 0.0154 0.00000
388 0.0190 0.00000
389 -0.0283 0.00000
390 0.0140 0.00000
391 -0.0908 0.00000
392 -0.0039 0.00000
393 0.0204 0.00000
394 0.0320 0.00000
395 -0.0858 0.00000
396 -0.0573 0.00000
397 0.0188 0.00000
398 -0.0373 0.00000
399 -0.0985 0.00000
400 -0.0473 0.00000
401 0.0440 0.00000
402 0.0174 0.00000
403 0.0252 0.00000
404 -0.0725 0.00000
405 -0.0004 0.00000
406 -0.0047 0.00000
407 -0.0471 0.00000
408 -0.0339 0.00000
409 -0.0099 0.00000
410 -0.0561 0.00000
411 0.0452 0.00000
412 -0.0673 0.00000
413 -0.0004 0.00000
414 0.0649 0.00000
415 -0.0970 0.00000
416 -0.2071 0.00000
417 -0.2177 0.00000
418 -0.0128 0.00000
419 -0.0932 0.00000
420 -0.0320 0.00000
421 -0.0409 0.00000
422 -0.0681 0.00000
423 0.0022 0.00000
424 -0.0218 0.00000
425 -0.0227 0.00000
426 -0.0098 0.00000
427 -0.0842 0.00000
428 0.0075 0.00000
429 -0.0446 0.00000
430 -0.2323 0.00000
431 -0.0071 0.00000
432 0.0653 0.00000
433 -0.0461 0.00000
434 -0.0163 0.00000
435 0.0027 0.00000
436 -0.0293 0.00000
437 -0.1083 0.00000
438 -0.0597 0.00000
439 -0.0715 0.00000
440 -0.0214 0.00000
441 -0.0619 0.00000
442 -0.0331 0.00000
443 0.0101 0.00000
444 -0.0234 0.00000
445 -0.1104 0.00000
446 0.0264 0.00000
447 0.0222 0.00000
448 -0.0513 0.00000
449 0.0602 0.00000
450 0.0304 0.00000
451 -0.0624 0.00000
452 -0.0454 0.00000
453 0.0396 0.00000
454 -0.0396 0.00000
455 -0.0228 0.00000
456 -0.0443 0.00000
457 0.0116 0.00000
458 -0.1003 0.00000
459 0.0237 0.00000
460 -0.0492 0.00000
461 -0.0579 0.00000
462 0.0187 0.00000
463 -0.0141 0.00000
464 0.0290 0.00000
465 0.0111 0.00000
466 -0.0132 0.00000
467 -0.1325 0.00000
468 -0.0183 0.00000
469 -0.0021 0.00000
470 -0.0160 0.00000
471 0.0513 0.00000
472 0.0230 0.00000
473 -0.0017 0.00000
474 0.0123 0.00000
475 0.0050 0.00000
476 0.0919 0.00000
477 -0.0990 0.00000
478 0.1398 0.00000
479 -0.0355 0.00000
480 0.0414 0.00000
481 -0.1004 0.00000
482 -0.0385 0.00000
483 0.0066 0.00000
484 0.0587 0.00000
485 -0.0183 0.00000
486 0.0391 0.00000
487 -0.0169 0.00000
488 -0.0420 0.00000
489 -0.0083 0.00000
490 -0.0155 0.00000
491 0.0555 0.00000
492 -0.0778 0.00000
493 -0.0103 0.00000
494 -0.0298 0.00000
495 -0.0792 0.00000
496 0.0037 0.00000
497 0.0167 0.00000
498 -0.0294 0.00000
499 0.0285 0.00000
500 -0.0575 0.00000
501 -0.0432 0.00000
502 -0.0223 0.00000
503 -0.0329 0.00000
504 0.0230 0.00000
505 0.0561 0.00000
506 -0.0678 0.00000
507 -0.0803 0.00000
508 0.0736 0.00000
509 -0.0089 0.00000
510 0.0522 0.00000
511 -0.0192 0.00000
512 -0.0077 0.00000
513 -0.0543 0.00000
514 0.0020 0.00000
515 -0.0603 0.00000
516 -0.0390 0.00000
517 -0.0561 0.00000
518 0.0365 0.00000
519 -0.0442 0.00000
520 0.0240 0.00000
521 -0.0150 0.00000
522 0.0016 0.00000
523 -0.0440 0.00000
524 -0.0694 0.00000
525 -0.0675 0.00000
526 -0.1125 0.00000
527 -0.0088 0.00000
528 -0.1776 0.00000
529 0.1277 0.00000
530 -0.0796 0.00000
531 -0.0627 0.00000
532 -0.0134 0.00000
533 0.0365 0.00000
534 -0.1130 0.00000
535 0.0225 0.00000
536 -0.0560 0.00000
537 0.1364 0.00000
538 -0.0520 0.00000
539 -0.0895 0.00000
540 0.0617 0.00000
541 -0.0540 0.00000
542 -0.0036 0.00000
543 -0.0252 0.00000
544 -0.1122 0.00000
545 0.2420 0.00000
546 -0.0536 0.00000
547 0.0726 0.00000
548 -0.0137 0.00000
549 0.0577 0.00000
550 -0.0071 0.00000
551 -0.1854 0.00000
552 -0.0371 0.00000
553 0.0010 0.00000
554 -0.0530 0.00000
555 0.0389 0.00000
556 0.1043 0.00000
557 -0.0307 0.00000
558 -0.0249 0.00000
559 0.1162 0.00000
560 -0.1302 0.00000
561 -0.0152 0.00000
562 -0.0253 0.00000
563 -0.1695 0.00000
564 -0.0711 0.00000
565 -0.0130 0.00000
566 -0.0414 0.00000
567 -0.0682 0.00000
568 -0.0252 0.00000
569 -0.0867 0.00000
570 -0.0105 0.00000
571 0.0314 0.00000
572 -0.0790 0.00000
573 0.0211 0.00000
574 -0.1127 0.00000
575 0.0479 0.00000
576 0.1733 0.00000
577 -0.0823 0.00000
578 0.0253 0.00000
579 -0.0479 0.00000
580 0.1787 0.00000
581 -0.0081 0.00000
582 0.0902 0.00000
583 0.0022 0.00000
584 -0.0913 0.00000
585 -0.0271 0.00000
586 -0.0279 0.00000
587 -0.1024 0.00000
588 -0.0444 0.00000
589 -0.0231 0.00000
590 -0.0616 0.00000
591 -0.0104 0.00000
592 -0.0526 0.00000
593 -0.0163 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1244 0.00000
597 0.1283 0.00000
598 -0.0526 0.00000
599 -0.1067 0.00000
600 0.0098 0.00000
601 -0.0409 0.00000
602 -0.0628 0.00000
603 0.0663 0.00000
604 0.0077 0.00000
605 -0.0476 0.00000
606 0.0383 0.00000
607 0.0339 0.00000
608 0.0320 0.00000
609 0.0310 0.00000
610 -0.0374 0.00000
611 -0.0021 0.00000
612 -0.0029 0.00000
613 -0.0127 0.00000
614 0.0042 0.00000
615 0.0055 0.00000
616 -0.0385 0.00000
617 0.0565 0.00000
618 0.0235 0.00000
619 0.0294 0.00000
620 -0.0064 0.00000
621 -0.0065 0.00000
622 -0.1457 0.00000
623 -0.0252 0.00000
624 -0.0067 0.00000
625 0.0496 0.00000
626 0.1493 0.00000
627 0.0686 0.00000
628 0.0435 0.00000
629 0.0615 0.00000
630 0.0142 0.00000
631 0.0203 0.00000
632 0.0893 0.00000
633 0.0071 0.00000
634 -0.0291 0.00000
635 0.0309 0.00000
636 0.0559 0.00000
637 0.0354 0.00000
638 0.0189 0.00000
639 0.0046 0.00000
640 0.0413 0.00000
641 0.0539 0.00000
642 0.0541 0.00000
643 0.0898 0.00000
644 0.0057 0.00000
645 0.0130 0.00000
646 -0.0240 0.00000
647 0.0761 0.00000
648 0.0814 0.00000
649 0.0557 0.00000
650 -0.0325 0.00000
651 0.0068 0.00000
652 0.0183 0.00000
653 0.0710 0.00000
654 -0.0377 0.00000
655 -0.0563 0.00000
656 0.0438 0.00000
657 0.0087 0.00000
658 0.0066 0.00000
659 -0.0189 0.00000
660 -0.0703 0.00000
661 0.0716 0.00000
662 -0.0057 0.00000
663 0.0303 0.00000
664 0.0296 0.00000
665 0.0781 0.00000
666 0.0754 0.00000
667 0.0516 0.00000
668 -0.0048 0.00000
669 -0.0485 0.00000
670 0.1083 0.00000
671 -0.0493 0.00000
672 -0.0549 0.00000
673 -0.0103 0.00000
674 -0.0437 0.00000
675 0.0050 0.00000
676 -0.0205 0.00000
677 0.0509 0.00000
678 0.0185 0.00000
679 -0.0281 0.00000
680 -0.0348 0.00000
681 0.2072 0.00000
682 0.0384 0.00000
683 -0.0804 0.00000
684 0.1328 0.00000
685 0.0153 0.00000
686 0.0267 0.00000
687 0.0165 0.00000
688 0.0690 0.00000
689 0.1340 0.00000
690 0.0281 0.00000
691 0.0433 0.00000
692 0.0277 0.00000
693 0.0268 0.00000
694 0.0046 0.00000
695 0.0112 0.00000
696 -0.0050 0.00000
697 0.0019 0.00000
698 0.0665 0.00000
699 -0.0098 0.00000
700 0.0223 0.00000
701 -0.0256 0.00000
702 -0.0484 0.00000
703 0.0162 0.00000
704 -0.0296 0.00000
705 0.0811 0.00000
706 0.0039 0.00000
707 -0.0532 0.00000
708 -0.0043 0.00000
709 0.0210 0.00000
710 0.0340 0.00000
711 -0.0090 0.00000
712 0.0043 0.00000
713 -0.0008 0.00000
714 0.0576 0.00000
715 0.0151 0.00000
716 0.0195 0.00000
717 0.0098 0.00000
718 0.0314 0.00000
719 -0.0184 0.00000
720 -0.0242 0.00000
721 0.0401 0.00000
722 0.0166 0.00000
723 0.0356 0.00000
724 0.0127 0.00000
725 0.0089 0.00000
726 -0.0168 0.00000
727 -0.0146 0.00000
728 0.0476 0.00000
729 0.0108 0.00000
730 0.1094 0.00000
731 0.0318 0.00000
732 0.0764 0.00000
733 0.0801 0.00000
734 -0.0195 0.00000
735 0.0338 0.00000
736 0.1063 0.00000
737 -0.0310 0.00000
738 0.0663 0.00000
739 -0.0562 0.00000
740 0.0075 0.00000
741 -0.0399 0.00000
742 0.0548 0.00000
743 0.0132 0.00000
744 0.0303 0.00000
745 -0.0420 0.00000
746 0.0376 0.00000
747 0.0382 0.00000
748 0.0390 0.00000
749 0.0196 0.00000
750 0.0147 0.00000
751 0.0142 0.00000
752 0.0436 0.00000
753 -0.0073 0.00000
754 0.0202 0.00000
755 0.0543 0.00000
756 0.0112 0.00000
757 -0.0340 0.00000
758 0.0236 0.00000
759 -0.0401 0.00000
760 -0.0024 0.00000
761 0.0913 0.00000
762 0.0314 0.00000
763 -0.0159 0.00000
764 0.0394 0.00000
765 0.0257 0.00000
766 0.0127 0.00000
767 -0.0311 0.00000
768 -0.0284 0.00000
769 -0.0405 0.00000
770 -0.0037 0.00000
771 -0.0195 0.00000
772 0.0327 0.00000
773 -0.0093 0.00000
774 0.0116 0.00000
775 0.0256 0.00000
776 -0.0122 0.00000
777 -0.0053 0.00000
778 0.0139 0.00000
779 -0.0228 0.00000
780 0.0039 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0152 0.00000
5 -0.0252 0.00000
6 0.0431 0.00000
7 -0.0187 0.00000
8 0.0058 0.00000
9 0.0006 0.00000
10 -0.0055 0.00000
11 0.0835 0.00000
12 -0.1858 0.00000
13 -0.0315 0.00000
14 -0.0345 0.00000
15 0.0576 0.00000
16 0.3823 0.00000
17 -0.0697 0.00000
18 0.0921 0.00000
19 -0.0649 0.00000
20 0.0008 0.00000
21 -0.0248 0.00000
22 0.1250 0.00000
23 -0.0544 0.00000
24 0.1319 0.00000
25 -0.0507 0.00000
26 -0.5079 0.00000
27 -0.7861 0.00000
28 0.0371 0.00000
29 0.0926 0.00000
30 -0.5928 0.00000
31 0.0866 0.00000
32 0.0182 0.00000
33 -0.0694 0.00000
34 -0.0564 0.00000
35 -0.0423 0.00000
36 0.0102 0.00000
37 0.0404 0.00000
38 -0.0301 0.00000
39 0.0392 0.00000
40 -0.0009 0.00000
41 -0.0574 0.00000
42 0.1462 0.00000
43 -0.1119 0.00000
44 -0.2249 0.00000
45 0.0783 0.00000
46 0.0577 0.00000
47 0.1582 0.00000
48 0.0382 0.00000
49 0.0245 0.00000
50 -0.0841 0.00000
51 -0.1291 0.00000
52 -0.0857 0.00000
53 -0.0142 0.00000
54 -0.1057 0.00000
55 -0.1319 0.00000
56 -0.0590 0.00000
57 -0.0554 0.00000
58 -0.0427 0.00000
59 -0.2872 0.00000
60 0.0275 0.00000
61 -0.1398 0.00000
62 -1.0768 0.00000
63 0.0540 0.00000
64 0.0093 0.00000
65 -0.1057 0.00000
66 -0.3349 0.00000
67 0.1748 0.00000
68 0.0376 0.00000
69 -0.0474 0.00000
70 -0.0666 0.00000
71 -0.1928 0.00000
72 -0.1063 0.00000
73 -0.0110 0.00000
74 -0.0230 0.00000
75 -0.0891 0.00000
76 -0.1926 0.00000
77 -0.1212 0.00000
78 -0.4584 0.00000
79 -0.1063 0.00000
80 0.0036 0.00000
81 -0.3046 0.00000
82 -0.4270 0.00000
83 -0.0282 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1328 0.00000
90 -0.0056 0.00000
91 0.1007 0.00000
92 0.1344 0.00000
93 0.1135 0.00000
94 -0.0141 0.00000
95 0.5104 0.00000
96 0.8262 0.00000
97 0.0100 0.00000
98 -0.0078 0.00000
99 0.0875 0.00000
100 -0.0612 0.00000
101 -0.0038 0.00000
102 -0.1432 0.00000
103 -0.0635 0.00000
104 0.3176 0.00000
105 -0.0238 0.00000
106 0.0655 0.00000
107 0.0558 0.00000
108 0.0556 0.00000
109 -0.2673 0.00000
110 0.0248 0.00000
111 -0.0438 0.00000
112 0.0583 0.00000
113 0.0753 0.00000
114 0.0435 0.00000
115 -0.0504 0.00000
116 0.1460 0.00000
117 0.0048 0.00000
118 0.3121 0.00000
119 0.0134 0.00000
120 0.2486 0.00000
121 -0.1914 0.00000
122 -0.0166 0.00000
123 -0.1872 0.00000
124 -0.2686 0.00000
125 0.1538 0.00000
126 -0.0878 0.00000
127 -0.0379 0.00000
128 0.0203 0.00000
129 0.7369 0.00000
130 -0.0531 0.00000
131 0.0363 0.00000
132 0.0814 0.00000
133 -0.0404 0.00000
134 -0.0170 0.00000
135 0.0202 0.00000
136 -0.0586 0.00000
137 0.1603 0.00000
138 -0.1406 0.00000
139 -0.0837 0.00000
140 -0.0169 0.00000
141 -0.0150 0.00000
142 -0.0593 0.00000
143 0.0225 0.00000
144 0.0250 0.00000
145 -0.0113 0.00000
146 -0.0718 0.00000
147 -0.0878 0.00000
148 0.0885 0.00000
149 0.0347 0.00000
150 0.0339 0.00000
151 0.0500 0.00000
152 -0.2650 0.00000
153 0.0426 0.00000
154 -0.0414 0.00000
155 -0.0265 0.00000
156 0.0369 0.00000
157 -0.0393 0.00000
158 -0.3592 0.00000
159 -0.3142 0.00000
160 0.1481 0.00000
161 0.0999 0.00000
162 0.0604 0.00000
163 -0.0249 0.00000
164 -0.0448 0.00000
165 -0.1770 0.00000
166 -0.2663 0.00000
167 -0.1095 0.00000
168 0.0832 0.00000
169 -0.1049 0.00000
170 0.0657 0.00000
171 0.0175 0.00000
172 0.0553 0.00000
173 -0.0523 0.00000
174 0.0251 0.00000
175 0.0157 0.00000
176 0.0541 0.00000
177 -0.0450 0.00000
178 -0.0680 0.00000
179 -0.0304 0.00000
180 -0.0760 0.00000
181 -0.1211 0.00000
182 -0.0153 0.00000
183 -0.0928 0.00000
184 -0.0302 0.00000
185 -0.1361 0.00000
186 -0.0027 0.00000
187 -0.0912 0.00000
188 0.0165 0.00000
189 0.0087 0.00000
190 0.0789 0.00000
191 -0.1246 0.00000
192 -0.0444 0.00000
193 -0.1749 0.00000
194 -0.1339 0.00000
195 -0.0969 0.00000
196 -0.0930 0.00000
197 -0.0177 0.00000
198 -0.4059 0.00000
199 -0.0456 0.00000
200 -0.1048 0.00000
201 0.0279 0.00000
202 -0.1416 0.00000
203 0.0188 0.00000
204 -0.0308 0.00000
205 0.0839 0.00000
206 -0.0798 0.00000
207 -0.0490 0.00000
208 -0.0241 0.00000
209 0.0124 0.00000
210 0.0417 0.00000
211 0.0707 0.00000
212 -0.0353 0.00000
213 -0.0064 0.00000
214 0.1290 0.00000
215 -0.1001 0.00000
216 -0.1755 0.00000
217 -0.0850 0.00000
218 0.0023 0.00000
219 -0.0390 0.00000
220 -0.0602 0.00000
221 -0.0376 0.00000
222 -0.0163 0.00000
223 0.0176 0.00000
224 0.1578 0.00000
225 -0.0444 0.00000
226 -0.0721 0.00000
227 -0.0621 0.00000
228 0.0024 0.00000
229 -0.0999 0.00000
230 -0.2132 0.00000
231 0.1350 0.00000
232 -0.0259 0.00000
233 -0.0441 0.00000
234 -0.0410 0.00000
235 0.4689 0.00000
236 0.0839 0.00000
237 0.0254 0.00000
238 0.5103 0.00000
239 0.0833 0.00000
240 0.1874 0.00000
241 0.1305 0.00000
242 0.1638 0.00000
243 0.0329 0.00000
244 0.0217 0.00000
245 -0.0252 0.00000
246 0.0333 0.00000
247 0.0239 0.00000
248 -0.0235 0.00000
249 -0.0230 0.00000
250 0.0136 0.00000
251 0.0670 0.00000
252 0.1635 0.00000
253 0.0772 0.00000
254 0.0526 0.00000
255 0.0965 0.00000
256 -0.0834 0.00000
257 -0.0424 0.00000
258 0.0275 0.00000
259 -0.0571 0.00000
260 0.3642 0.00000
261 0.0430 0.00000
262 0.0437 0.00000
263 -0.0932 0.00000
264 -0.0102 0.00000
265 -0.0217 0.00000
266 0.0278 0.00000
267 0.0665 0.00000
268 -0.0711 0.00000
269 0.0556 0.00000
270 0.0105 0.00000
271 0.0038 0.00000
272 0.0054 0.00000
273 0.0304 0.00000
274 -0.0052 0.00000
275 0.0252 0.00000
276 0.0011 0.00000
277 -0.0125 0.00000
278 0.0081 0.00000
279 -0.0213 0.00000
280 0.0166 0.00000
281 0.0157 0.00000
282 0.0120 0.00000
283 0.0337 0.00000
284 -0.0305 0.00000
285 0.0144 0.00000
286 0.1353 0.00000
287 0.0499 0.00000
288 0.0035 0.00000
289 0.0267 0.00000
290 0.0987 0.00000
291 0.0180 0.00000
292 0.0248 0.00000
293 0.0115 0.00000
294 0.0232 0.00000
295 -0.0245 0.00000
296 0.0213 0.00000
297 0.1145 0.00000
298 -0.1530 0.00000
299 0.1920 0.00000
300 -0.2134 0.00000
301 -0.0370 0.00000
302 0.0890 0.00000
303 0.0493 0.00000
304 0.0526 0.00000
305 0.0218 0.00000
306 -0.0510 0.00000
307 0.0613 0.00000
308 -0.4956 0.00000
309 -0.1261 0.00000
310 -0.3167 0.00000
311 -0.0631 0.00000
312 0.0188 0.00000
313 0.0614 0.00000
314 -0.0543 0.00000
315 -0.0053 0.00000
316 -0.1289 0.00000
317 -0.0051 0.00000
318 0.0433 0.00000
319 0.0389 0.00000
320 -0.0072 0.00000
321 -0.0413 0.00000
322 -0.0985 0.00000
323 0.0209 0.00000
324 -0.0325 0.00000
325 0.0531 0.00000
326 -0.0434 0.00000
327 -0.0122 0.00000
328 0.0252 0.00000
329 -0.0754 0.00000
330 0.0542 0.00000
331 -0.0533 0.00000
332 0.0524 0.00000
333 0.0230 0.00000
334 0.0614 0.00000
335 -0.0162 0.00000
336 0.0067 0.00000
337 0.1079 0.00000
338 -0.0285 0.00000
339 -0.0597 0.00000
340 0.0766 0.00000
341 0.0016 0.00000
342 0.0289 0.00000
343 0.0355 0.00000
344 0.0434 0.00000
345 -0.0263 0.00000
346 0.0403 0.00000
347 -0.0267 0.00000
348 0.1318 0.00000
349 0.0415 0.00000
350 0.0109 0.00000
351 0.0145 0.00000
352 0.0310 0.00000
353 -0.0171 0.00000
354 0.0225 0.00000
355 -0.0357 0.00000
356 -0.0258 0.00000
357 -0.0559 0.00000
358 0.0561 0.00000
359 -0.0335 0.00000
360 -0.0314 0.00000
361 0.0054 0.00000
362 -0.0330 0.00000
363 -0.0011 0.00000
364 -0.0025 0.00000
365 0.0743 0.00000
366 0.0361 0.00000
367 -0.0373 0.00000
368 -0.0054 0.00000
369 0.0328 0.00000
370 -0.0280 0.00000
371 0.0192 0.00000
372 -0.0492 0.00000
373 0.0159 0.00000
374 0.0183 0.00000
375 -0.0314 0.00000
376 0.0873 0.00000
377 -0.0466 0.00000
378 0.0091 0.00000
379 0.0518 0.00000
380 -0.0054 0.00000
381 -0.0053 0.00000
382 -0.0345 0.00000
383 0.0296 0.00000
384 -0.0838 0.00000
385 0.0058 0.00000
386 -0.0513 0.00000
387 -0.0096 0.00000
388 -0.0788 0.00000
389 0.0247 0.00000
390 0.0288 0.00000
391 -0.0810 0.00000
392 -0.0542 0.00000
393 -0.0486 0.00000
394 -0.0576 0.00000
395 -0.0903 0.00000
396 0.0676 0.00000
397 -0.0208 0.00000
398 -0.0129 0.00000
399 -0.0504 0.00000
400 0.0031 0.00000
401 -0.0265 0.00000
402 -0.0567 0.00000
403 0.0074 0.00000
404 0.0762 0.00000
405 -0.0873 0.00000
406 -0.0689 0.00000
407 0.0610 0.00000
408 -0.0620 0.00000
409 -0.0082 0.00000
410 -0.1073 0.00000
411 0.0417 0.00000
412 -0.0511 0.00000
413 0.0121 0.00000
414 -0.0372 0.00000
415 -0.0776 0.00000
416 -0.1088 0.00000
417 -0.1771 0.00000
418 -0.0527 0.00000
419 -0.0494 0.00000
420 -0.0350 0.00000
421 -0.1416 0.00000
422 -0.0166 0.00000
423 -0.0398 0.00000
424 -0.0072 0.00000
425 -0.0295 0.00000
426 -0.0359 0.00000
427 0.0415 0.00000
428 -0.0528 0.00000
429 -0.0076 0.00000
430 0.0047 0.00000
431 -0.0946 0.00000
432 -0.0664 0.00000
433 -0.0783 0.00000
434 -0.1219 0.00000
435 -0.0023 0.00000
436 -0.0965 0.00000
437 -0.0874 0.00000
438 0.0016 0.00000
439 0.0199 0.00000
440 0.0363 0.00000
441 0.0175 0.00000
442 0.0149 0.00000
443 -0.1208 0.00000
444 0.0474 0.00000
445 -0.1078 0.00000
446 -0.0598 0.00000
447 0.0659 0.00000
448 -0.0865 0.00000
449 0.0025 0.00000
450 -0.0043 0.00000
451 -0.0796 0.00000
452 0.0491 0.00000
453 0.0081 0.00000
454 0.0648 0.00000
455 -0.0744 0.00000
456 -0.0201 0.00000
457 -0.0731 0.00000
458 -0.0471 0.00000
459 -0.0383 0.00000
460 -0.0092 0.00000
461 -0.1138 0.00000
462 -0.0006 0.00000
463 0.0029 0.00000
464 0.0083 0.00000
465 -0.0235 0.00000
466 0.0070 0.00000
467 -0.0549 0.00000
468 -0.0474 0.00000
469 -0.0106 0.00000
470 -0.0043 0.00000
471 -0.0196 0.00000
472 0.0414 0.00000
473 -0.0174 0.00000
474 0.0612 0.00000
475 -0.0242 0.00000
476 -0.0450 0.00000
477 0.1988 0.00000
478 -0.0708 0.00000
479 0.0198 0.00000
480 0.1091 0.00000
481 -0.0156 0.00000
482 0.0588 0.00000
483 0.0203 0.00000
484 -0.0125 0.00000
485 0.0126 0.00000
486 -0.0867 0.00000
487 -0.0187 0.00000
488 -0.0662 0.00000
489 -0.0253 0.00000
490 0.0199 0.00000
491 -0.1520 0.00000
492 0.0345 0.00000
493 -0.0057 0.00000
494 -0.0819 0.00000
495 -0.0796 0.00000
496 -0.0132 0.00000
497 -0.0201 0.00000
498 -0.0318 0.00000
499 0.0300 0.00000
500 0.0287 0.00000
501 0.0147 0.00000
502 0.0212 0.00000
503 -0.0152 0.00000
504 0.0333 0.00000
505 -0.0332 0.00000
506 -0.0021 0.00000
507 0.0209 0.00000
508 -0.0186 0.00000
509 -0.0009 0.00000
510 0.0128 0.00000
511 0.0046 0.00000
512 0.0571 0.00000
513 -0.0451 0.00000
514 0.0771 0.00000
515 -0.0677 0.00000
516 0.0877 0.00000
517 -0.0805 0.00000
518 -0.0423 0.00000
519 0.0569 0.00000
520 -0.0754 0.00000
521 -0.0110 0.00000
522 -0.0160 0.00000
523 -0.0245 0.00000
524 -0.0979 0.00000
525 -0.0661 0.00000
526 -0.0934 0.00000
527 -0.0097 0.00000
528 -0.0370 0.00000
529 0.0160 0.00000
530 -0.1902 0.00000
531 -0.2151 0.00000
532 -0.2675 0.00000
533 -0.1000 0.00000
534 -0.0309 0.00000
535 0.0573 0.00000
536 -0.0430 0.00000
537 -0.0319 0.00000
538 -0.0155 0.00000
539 0.3516 0.00000
540 0.0195 0.00000
541 -0.1067 0.00000
542 -0.0199 0.00000
543 0.0345 0.00000
544 -0.0893 0.00000
545 -0.0157 0.00000
546 -0.0082 0.00000
547 -0.0094 0.00000
548 0.1342 0.00000
549 0.0858 0.00000
550 0.0308 0.00000
551 0.0558 0.00000
552 0.0769 0.00000
553 -0.0513 0.00000
554 -0.0238 0.00000
555 -0.0606 0.00000
556 -0.0300 0.00000
557 -0.0255 0.00000
558 0.0491 0.00000
559 -0.2765 0.00000
560 0.0001 0.00000
561 -0.0267 0.00000
562 0.0099 0.00000
563 -0.0461 0.00000
564 0.0689 0.00000
565 -0.0746 0.00000
566 -0.0699 0.00000
567 -0.0044 0.00000
568 0.0030 0.00000
569 -0.0019 0.00000
570 0.0075 0.00000
571 0.0601 0.00000
572 -0.1095 0.00000
573 -0.1250 0.00000
574 -0.0183 0.00000
575 -0.0393 0.00000
576 0.0913 0.00000
577 -0.0710 0.00000
578 0.0352 0.00000
579 0.0982 0.00000
580 -0.0979 0.00000
581 -0.0710 0.00000
582 0.1964 0.00000
583 0.0956 0.00000
584 -0.1404 0.00000
585 -0.0257 0.00000
586 -0.0103 0.00000
587 -0.0868 0.00000
588 -0.0494 0.00000
589 -0.0235 0.00000
590 -0.0624 0.00000
591 -0.0089 0.00000
592 -0.0423 0.00000
593 -0.0159 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1245 0.00000
597 0.1284 0.00000
598 -0.0528 0.00000
599 -0.0777 0.00000
600 -0.0223 0.00000
601 -0.0682 0.00000
602 0.0223 0.00000
603 0.0142 0.00000
604 0.0680 0.00000
605 -0.0795 0.00000
606 -0.0089 0.00000
607 0.0504 0.00000
608 0.0059 0.00000
609 -0.0064 0.00000
610 -0.0020 0.00000
611 -0.0103 0.00000
612 -0.0526 0.00000
613 0.0374 0.00000
614 0.0108 0.00000
615 -0.0377 0.00000
616 0.0175 0.00000
617 0.0605 0.00000
618 -0.0029 0.00000
619 0.0217 0.00000
620 -0.0344 0.00000
621 0.0750 0.00000
622 -0.0155 0.00000
623 0.0511 0.00000
624 0.0003 0.00000
625 0.0019 0.00000
626 -0.0064 0.00000
627 0.0428 0.00000
628 -0.0217 0.00000
629 0.0398 0.00000
630 0.0786 0.00000
631 0.0319 0.00000
632 0.0619 0.00000
633 -0.0363 0.00000
634 0.0015 0.00000
635 0.0349 0.00000
636 0.0355 0.00000
637 0.1136 0.00000
638 0.0269 0.00000
639 0.0204 0.00000
640 0.0889 0.00000
641 -0.0150 0.00000
642 0.0231 0.00000
643 0.1808 0.00000
644 0.0736 0.00000
645 0.0770 0.00000
646 0.0069 0.00000
647 -0.0113 0.00000
648 -0.0420 0.00000
649 0.0201 0.00000
650 0.0300 0.00000
651 -0.0224 0.00000
652 -0.1149 0.00000
653 0.0035 0.00000
654 0.0001 0.00000
655 0.0331 0.00000
656 0.0198 0.00000
657 0.0943 0.00000
658 -0.0006 0.00000
659 0.0226 0.00000
660 -0.0026 0.00000
661 -0.0575 0.00000
662 0.0396 0.00000
663 -0.0426 0.00000
664 0.0332 0.00000
665 -0.0409 0.00000
666 0.0240 0.00000
667 -0.0194 0.00000
668 0.0252 0.00000
669 0.1359 0.00000
670 0.0341 0.00000
671 0.0899 0.00000
672 0.0087 0.00000
673 0.0455 0.00000
674 -0.0251 0.00000
675 0.0310 0.00000
676 0.0828 0.00000
677 0.0131 0.00000
678 -0.0002 0.00000
679 0.0892 0.00000
680 -0.0634 0.00000
681 0.0364 0.00000
682 -0.0414 0.00000
683 0.1060 0.00000
684 0.0050 0.00000
685 0.0701 0.00000
686 -0.0089 0.00000
687 -0.0146 0.00000
688 -0.0214 0.00000
689 0.0004 0.00000
690 -0.1012 0.00000
691 0.0002 0.00000
692 0.0912 0.00000
693 -0.0197 0.00000
694 0.0546 0.00000
695 0.0119 0.00000
696 -0.0014 0.00000
697 0.0329 0.00000
698 0.0292 0.00000
699 -0.0839 0.00000
700 0.0617 0.00000
701 0.0401 0.00000
702 0.0630 0.00000
703 0.0157 0.00000
704 0.0147 0.00000
705 0.0310 0.00000
706 -0.0062 0.00000
707 0.0790 0.00000
708 0.0428 0.00000
709 -0.0142 0.00000
710 0.0420 0.00000
711 0.0064 0.00000
712 0.1071 0.00000
713 0.1089 0.00000
714 -0.0128 0.00000
715 -0.1113 0.00000
716 0.0078 0.00000
717 0.0933 0.00000
718 -0.0576 0.00000
719 0.0103 0.00000
720 0.0755 0.00000
721 0.0010 0.00000
722 0.0375 0.00000
723 -0.0056 0.00000
724 0.0669 0.00000
725 0.0742 0.00000
726 0.0142 0.00000
727 0.0571 0.00000
728 0.0303 0.00000
729 0.0045 0.00000
730 -0.0146 0.00000
731 -0.0695 0.00000
732 0.0557 0.00000
733 0.0201 0.00000
734 0.0322 0.00000
735 -0.0056 0.00000
736 -0.0200 0.00000
737 0.0215 0.00000
738 0.0944 0.00000
739 0.0087 0.00000
740 0.0229 0.00000
741 0.0261 0.00000
742 -0.0079 0.00000
743 0.0104 0.00000
744 0.0294 0.00000
745 -0.0649 0.00000
746 0.0584 0.00000
747 0.0188 0.00000
748 0.0581 0.00000
749 -0.0321 0.00000
750 0.0090 0.00000
751 0.0139 0.00000
752 -0.0284 0.00000
753 -0.0374 0.00000
754 0.0175 0.00000
755 0.0382 0.00000
756 0.0061 0.00000
757 0.0201 0.00000
758 -0.0042 0.00000
759 -0.0078 0.00000
760 0.0026 0.00000
761 0.0318 0.00000
762 -0.0065 0.00000
763 -0.0411 0.00000
764 0.0150 0.00000
765 -0.0206 0.00000
766 0.0387 0.00000
767 -0.0052 0.00000
768 0.0216 0.00000
769 -0.0659 0.00000
770 0.0197 0.00000
771 0.0553 0.00000
772 0.0975 0.00000
773 -0.0272 0.00000
774 -0.0339 0.00000
775 -0.0360 0.00000
776 -0.0645 0.00000
777 0.0076 0.00000
778 -0.0092 0.00000
779 0.0157 0.00000
780 0.0133 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0152 0.00000
5 -0.0251 0.00000
6 0.0434 0.00000
7 -0.0192 0.00000
8 0.0048 0.00000
9 0.0019 0.00000
10 -0.0073 0.00000
11 0.0833 0.00000
12 -0.1842 0.00000
13 -0.0311 0.00000
14 -0.0346 0.00000
15 0.0574 0.00000
16 0.3945 0.00000
17 -0.0069 0.00000
18 0.0277 0.00000
19 -0.0667 0.00000
20 -0.0047 0.00000
21 -0.0246 0.00000
22 0.1345 0.00000
23 -0.0499 0.00000
24 0.0904 0.00000
25 0.0513 0.00000
26 -0.9972 0.00000
27 -0.3775 0.00000
28 0.0092 0.00000
29 0.0830 0.00000
30 -0.4756 0.00000
31 0.0153 0.00000
32 -0.0011 0.00000
33 -0.0645 0.00000
34 -0.0729 0.00000
35 -0.0343 0.00000
36 0.1017 0.00000
37 -0.0795 0.00000
38 -0.0146 0.00000
39 0.0684 0.00000
40 0.0135 0.00000
41 -0.0612 0.00000
42 0.0974 0.00000
43 -0.1126 0.00000
44 0.1086 0.00000
45 -0.2189 0.00000
46 0.1398 0.00000
47 0.0782 0.00000
48 0.0869 0.00000
49 -0.0463 0.00000
50 -0.0092 0.00000
51 -0.1284 0.00000
52 -0.1539 0.00000
53 -0.0052 0.00000
54 -0.1541 0.00000
55 -0.0690 0.00000
56 -0.0858 0.00000
57 -0.0547 0.00000
58 -0.0273 0.00000
59 0.0505 0.00000
60 -0.3436 0.00000
61 -0.5596 0.00000
62 0.0052 0.00000
63 -0.4829 0.00000
64 -0.1604 0.00000
65 -0.1651 0.00000
66 -0.1904 0.00000
67 -0.0240 0.00000
68 0.2118 0.00000
69 -0.0338 0.00000
70 -0.1924 0.00000
71 -0.0568 0.00000
72 -0.1064 0.00000
73 -0.0178 0.00000
74 -0.0182 0.00000
75 -0.0861 0.00000
76 -0.1845 0.00000
77 -0.1248 0.00000
78 -0.1515 0.00000
79 -0.4233 0.00000
80 0.0037 0.00000
81 -0.3039 0.00000
82 -0.4265 0.00000
83 -0.0282 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1339 0.00000
90 -0.0027 0.00000
91 0.0961 0.00000
92 0.1095 0.00000
93 0.1204 0.00000
94 -0.0079 0.00000
95 0.6866 0.00000
96 0.6147 0.00000
97 0.0171 0.00000
98 -0.0285 0.00000
99 0.0730 0.00000
100 0.0569 0.00000
101 -0.0619 0.00000
102 -0.0966 0.00000
103 -0.0436 0.00000
104 0.3166 0.00000
105 -0.0019 0.00000
106 -0.0076 0.00000
107 0.1021 0.00000
108 -0.2326 0.00000
109 0.0007 0.00000
110 0.0563 0.00000
111 -0.0509 0.00000
112 0.0488 0.00000
113 0.0789 0.00000
114 -0.0272 0.00000
115 0.0183 0.00000
116 0.1108 0.00000
117 -0.0410 0.00000
118 0.3307 0.00000
119 -0.0703 0.00000
120 0.2222 0.00000
121 -0.0190 0.00000
122 -0.0532 0.00000
123 -0.0914 0.00000
124 -0.3318 0.00000
125 0.1184 0.00000
126 -0.0729 0.00000
127 -0.0335 0.00000
128 0.0056 0.00000
129 0.6921 0.00000
130 0.0292 0.00000
131 0.0455 0.00000
132 0.0569 0.00000
133 -0.0734 0.00000
134 -0.0109 0.00000
135 0.0195 0.00000
136 -0.0353 0.00000
137 0.1123 0.00000
138 -0.1206 0.00000
139 -0.0824 0.00000
140 -0.0189 0.00000
141 -0.0149 0.00000
142 -0.0593 0.00000
143 0.0304 0.00000
144 0.0188 0.00000
145 -0.0117 0.00000
146 -0.0685 0.00000
147 -0.0881 0.00000
148 0.0902 0.00000
149 0.0137 0.00000
150 0.0339 0.00000
151 -0.0105 0.00000
152 0.0749 0.00000
153 -0.1104 0.00000
154 -0.0759 0.00000
155 -0.1251 0.00000
156 -0.3005 0.00000
157 -0.1320 0.00000
158 0.0990 0.00000
159 -0.0628 0.00000
160 -0.1415 0.00000
161 0.0809 0.00000
162 0.0333 0.00000
163 0.0465 0.00000
164 -0.0116 0.00000
165 -0.0723 0.00000
166 -0.2236 0.00000
167 0.0230 0.00000
168 -0.0836 0.00000
169 -0.1688 0.00000
170 0.0786 0.00000
171 0.0342 0.00000
172 -0.0614 0.00000
173 0.0141 0.00000
174 0.0150 0.00000
175 -0.0660 0.00000
176 0.0057 0.00000
177 -0.0208 0.00000
178 -0.0241 0.00000
179 -0.0599 0.00000
180 -0.0736 0.00000
181 0.1023 0.00000
182 -0.0204 0.00000
183 -0.1554 0.00000
184 -0.2780 0.00000
185 -0.0253 0.00000
186 0.0141 0.00000
187 -0.0760 0.00000
188 -0.0002 0.00000
189 -0.0441 0.00000
190 -0.0787 0.00000
191 -0.0267 0.00000
192 0.0674 0.00000
193 -0.0072 0.00000
194 -0.0596 0.00000
195 -0.4044 0.00000
196 -0.0599 0.00000
197 -0.0020 0.00000
198 -0.3354 0.00000
199 -0.0400 0.00000
200 -0.0528 0.00000
201 -0.0429 0.00000
202 0.0238 0.00000
203 0.0398 0.00000
204 -0.1519 0.00000
205 -0.0628 0.00000
206 -0.0621 0.00000
207 -0.0180 0.00000
208 0.0186 0.00000
209 -0.0185 0.00000
210 0.0593 0.00000
211 0.0522 0.00000
212 -0.0360 0.00000
213 -0.0592 0.00000
214 0.0333 0.00000
215 -0.0504 0.00000
216 -0.0565 0.00000
217 0.0045 0.00000
218 -0.1451 0.00000
219 0.0201 0.00000
220 -0.0519 0.00000
221 0.0112 0.00000
222 -0.1144 0.00000
223 0.0737 0.00000
224 0.1137 0.00000
225 -0.0438 0.00000
226 -0.0785 0.00000
227 -0.0794 0.00000
228 -0.0098 0.00000
229 -0.1078 0.00000
230 -0.1755 0.00000
231 0.1371 0.00000
232 -0.0164 0.00000
233 -0.0491 0.00000
234 -0.0082 0.00000
235 0.3941 0.00000
236 0.1408 0.00000
237 0.1744 0.00000
238 0.2962 0.00000
239 0.0944 0.00000
240 0.1481 0.00000
241 0.2616 0.00000
242 0.0250 0.00000
243 0.0537 0.00000
244 -0.0868 0.00000
245 0.1140 0.00000
246 0.0084 0.00000
247 -0.0024 0.00000
248 0.0075 0.00000
249 0.0048 0.00000
250 0.0778 0.00000
251 -0.0065 0.00000
252 0.3719 0.00000
253 0.1454 0.00000
254 0.0217 0.00000
255 0.0084 0.00000
256 -0.1121 0.00000
257 0.0229 0.00000
258 -0.0610 0.00000
259 -0.0140 0.00000
260 -0.0252 0.00000
261 0.1560 0.00000
262 0.0872 0.00000
263 0.0577 0.00000
264 -0.0208 0.00000
265 -0.0180 0.00000
266 0.0477 0.00000
267 -0.0307 0.00000
268 0.0798 0.00000
269 0.0046 0.00000
270 0.0277 0.00000
271 -0.0160 0.00000
272 -0.0021 0.00000
273 0.1845 0.00000
274 -0.0899 0.00000
275 -0.1116 0.00000
276 -0.0439 0.00000
277 0.0359 0.00000
278 -0.0057 0.00000
279 0.0288 0.00000
280 -0.0070 0.00000
281 0.1024 0.00000
282 -0.0535 0.00000
283 -0.0185 0.00000
284 0.0752 0.00000
285 -0.0297 0.00000
286 -0.0075 0.00000
287 -0.0089 0.00000
288 0.0394 0.00000
289 0.0273 0.00000
290 0.1882 0.00000
291 -0.0223 0.00000
292 -0.1148 0.00000
293 0.0521 0.00000
294 0.0821 0.00000
295 0.0533 0.00000
296 0.1784 0.00000
297 -0.1057 0.00000
298 -0.0408 0.00000
299 0.1804 0.00000
300 -0.0159 0.00000
301 -0.1089 0.00000
302 0.0526 0.00000
303 -0.0452 0.00000
304 0.0814 0.00000
305 -0.2097 0.00000
306 -0.2986 0.00000
307 -0.1149 0.00000
308 0.1203 0.00000
309 0.0381 0.00000
310 -0.1212 0.00000
311 -0.2734 0.00000
312 -0.0154 0.00000
313 0.0307 0.00000
314 -0.0337 0.00000
315 0.0754 0.00000
316 -0.0627 0.00000
317 -0.1541 0.00000
318 -0.0303 0.00000
319 -0.0530 0.00000
320 0.0174 0.00000
321 -0.0325 0.00000
322 -0.0429 0.00000
323 0.0573 0.00000
324 0.1229 0.00000
325 -0.0489 0.00000
326 -0.0253 0.00000
327 -0.0667 0.00000
328 -0.0231 0.00000
329 0.0510 0.00000
330 -0.0246 0.00000
331 0.0279 0.00000
332 0.0082 0.00000
333 0.0635 0.00000
334 -0.0082 0.00000
335 0.0014 0.00000
336 -0.0109 0.00000
337 0.0213 0.00000
338 0.0074 0.00000
339 0.0291 0.00000
340 -0.0645 0.00000
341 0.0409 0.00000
342 -0.0118 0.00000
343 0.0019 0.00000
344 0.0742 0.00000
345 0.0864 0.00000
346 0.0377 0.00000
347 -0.0846 0.00000
348 0.0520 0.00000
349 -0.0248 0.00000
350 -0.0254 0.00000
351 0.0398 0.00000
352 0.0216 0.00000
353 0.0228 0.00000
354 0.1277 0.00000
355 -0.0362 0.00000
356 0.0769 0.00000
357 0.0585 0.00000
358 0.0001 0.00000
359 -0.0201 0.00000
360 -0.0092 0.00000
361 -0.0543 0.00000
362 0.0151 0.00000
363 -0.0176 0.00000
364 -0.0126 0.00000
365 -0.0321 0.00000
366 0.0169 0.00000
367 0.0384 0.00000
368 -0.0560 0.00000
369 0.0189 0.00000
370 0.0456 0.00000
371 0.0275 0.00000
372 -0.0769 0.00000
373 -0.0051 0.00000
374 -0.0004 0.00000
375 -0.0001 0.00000
376 -0.0220 0.00000
377 -0.0498 0.00000
378 -0.0303 0.00000
379 -0.0051 0.00000
380 0.0434 0.00000
381 -0.0616 0.00000
382 -0.0855 0.00000
383 -0.0530 0.00000
384 0.0006 0.00000
385 -0.0164 0.00000
386 -0.0327 0.00000
387 -0.0123 0.00000
388 0.0351 0.00000
389 0.0496 0.00000
390 0.0126 0.00000
391 -0.0284 0.00000
392 -0.0280 0.00000
393 0.0202 0.00000
394 -0.0181 0.00000
395 0.0353 0.00000
396 -0.0043 0.00000
397 -0.0811 0.00000
398 -0.0146 0.00000
399 -0.0487 0.00000
400 -0.0515 0.00000
401 -0.0246 0.00000
402 0.0151 0.00000
403 0.0564 0.00000
404 0.0620 0.00000
405 -0.0582 0.00000
406 0.0116 0.00000
407 -0.0199 0.00000
408 -0.1570 0.00000
409 -0.1098 0.00000
410 -0.0303 0.00000
411 -0.0160 0.00000
412 0.0667 0.00000
413 -0.0470 0.00000
414 -0.0900 0.00000
415 -0.0837 0.00000
416 -0.2024 0.00000
417 -0.0438 0.00000
418 -0.1636 0.00000
419 -0.1623 0.00000
420 -0.0173 0.00000
421 -0.0008 0.00000
422 -0.0064 0.00000
423 -0.0316 0.00000
424 -0.0530 0.00000
425 -0.0399 0.00000
426 0.0175 0.00000
427 -0.0630 0.00000
428 -0.1007 0.00000
429 -0.0428 0.00000
430 -0.0242 0.00000
431 -0.0698 0.00000
432 0.0171 0.00000
433 -0.0340 0.00000
434 -0.0010 0.00000
435 -0.0446 0.00000
436 -0.0441 0.00000
437 -0.0808 0.00000
438 0.0063 0.00000
439 0.0302 0.00000
440 -0.0143 0.00000
441 -0.0219 0.00000
442 0.0936 0.00000
443 -0.0438 0.00000
444 -0.0511 0.00000
445 -0.0365 0.00000
446 -0.1486 0.00000
447 0.0310 0.00000
448 -0.1488 0.00000
449 -0.0721 0.00000
450 -0.0164 0.00000
451 -0.0056 0.00000
452 -0.0651 0.00000
453 -0.0024 0.00000
454 0.0677 0.00000
455 0.0495 0.00000
456 -0.0061 0.00000
457 0.0580 0.00000
458 -0.0547 0.00000
459 -0.0365 0.00000
460 -0.0653 0.00000
461 -0.0207 0.00000
462 0.0372 0.00000
463 -0.0046 0.00000
464 -0.0955 0.00000
465 0.0393 0.00000
466 -0.0880 0.00000
467 0.0332 0.00000
468 -0.0405 0.00000
469 0.0282 0.00000
470 0.0191 0.00000
471 -0.0285 0.00000
472 -0.0132 0.00000
473 0.1404 0.00000
474 -0.0905 0.00000
475 0.0194 0.00000
476 0.0054 0.00000
477 0.1403 0.00000
478 0.0556 0.00000
479 -0.0771 0.00000
480 -0.0666 0.00000
481 0.0653 0.00000
482 -0.0299 0.00000
483 -0.0026 0.00000
484 -0.0464 0.00000
485 -0.0341 0.00000
486 -0.0094 0.00000
487 -0.0203 0.00000
488 0.0432 0.00000
489 -0.0497 0.00000
490 0.0229 0.00000
491 -0.0026 0.00000
492 -0.0468 0.00000
493 -0.0139 0.00000
494 -0.0068 0.00000
495 0.0218 0.00000
496 -0.0326 0.00000
497 -0.1139 0.00000
498 -0.0782 0.00000
499 -0.1237 0.00000
500 0.0408 0.00000
501 0.0085 0.00000
502 0.0244 0.00000
503 0.0148 0.00000
504 -0.0319 0.00000
505 -0.0364 0.00000
506 -0.0371 0.00000
507 0.0490 0.00000
508 -0.0642 0.00000
509 0.0193 0.00000
510 -0.0239 0.00000
511 -0.1834 0.00000
512 0.0130 0.00000
513 0.0048 0.00000
514 0.0793 0.00000
515 -0.0121 0.00000
516 -0.0302 0.00000
517 0.0253 0.00000
518 0.0089 0.00000
519 -0.0850 0.00000
520 -0.0632 0.00000
521 -0.0141 0.00000
522 0.0851 0.00000
523 -0.1184 0.00000
524 -0.0385 0.00000
525 0.0177 0.00000
526 -0.0996 0.00000
527 -0.0322 0.00000
528 -0.1096 0.00000
529 -0.1018 0.00000
530 0.0564 0.00000
531 0.0155 0.00000
532 0.1580 0.00000
533 0.0167 0.00000
534 -0.0450 0.00000
535 -0.0064 0.00000
536 -0.0205 0.00000
537 -0.0557 0.00000
538 0.1473 0.00000
539 -0.1246 0.00000
540 -0.0469 0.00000
541 -0.0320 0.00000
542 0.0412 0.00000
543 0.1813 0.00000
544 -0.0064 0.00000
545 -0.0092 0.00000
546 -0.1362 0.00000
547 -0.0933 0.00000
548 0.0499 0.00000
549 0.0184 0.00000
550 -0.0798 0.00000
551 -0.0168 0.00000
552 -0.0264 0.00000
553 -0.0221 0.00000
554 -0.0647 0.00000
555 -0.0202 0.00000
556 -0.0115 0.00000
557 0.1623 0.00000
558 -0.0023 0.00000
559 -0.0117 0.00000
560 -0.0763 0.00000
561 -0.0587 0.00000
562 -0.1072 0.00000
563 -0.1723 0.00000
564 -0.0906 0.00000
565 0.0183 0.00000
566 -0.0161 0.00000
567 -0.1420 0.00000
568 -0.0166 0.00000
569 -0.0224 0.00000
570 -0.0828 0.00000
571 -0.0135 0.00000
572 0.0104 0.00000
573 0.0850 0.00000
574 0.0267 0.00000
575 -0.0058 0.00000
576 -0.0408 0.00000
577 -0.1722 0.00000
578 0.2630 0.00000
579 0.0504 0.00000
580 0.1767 0.00000
581 -0.0249 0.00000
582 0.0149 0.00000
583 -0.0042 0.00000
584 -0.1301 0.00000
585 0.0034 0.00000
586 -0.0313 0.00000
587 -0.0720 0.00000
588 -0.0476 0.00000
589 -0.0235 0.00000
590 -0.0924 0.00000
591 0.0136 0.00000
592 -0.0522 0.00000
593 -0.0149 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1243 0.00000
597 0.1282 0.00000
598 -0.0274 0.00000
599 -0.1688 0.00000
600 0.0404 0.00000
601 -0.0148 0.00000
602 0.0091 0.00000
603 0.0274 0.00000
604 0.0439 0.00000
605 -0.0233 0.00000
606 -0.0893 0.00000
607 0.0137 0.00000
608 -0.0270 0.00000
609 0.0570 0.00000
610 -0.0528 0.00000
611 -0.0120 0.00000
612 0.0742 0.00000
613 -0.0434 0.00000
614 0.0403 0.00000
615 0.0144 0.00000
616 -0.0377 0.00000
617 -0.0222 0.00000
618 -0.0026 0.00000
619 -0.0194 0.00000
620 0.0190 0.00000
621 -0.0283 0.00000
622 0.0816 0.00000
623 -0.0432 0.00000
624 0.0519 0.00000
625 0.0866 0.00000
626 0.0664 0.00000
627 -0.0012 0.00000
628 0.0638 0.00000
629 0.0490 0.00000
630 0.0283 0.00000
631 0.1159 0.00000
632 0.0032 0.00000
633 -0.0281 0.00000
634 0.0008 0.00000
635 -0.0149 0.00000
636 -0.0277 0.00000
637 -0.0063 0.00000
638 0.1108 0.00000
639 0.0138 0.00000
640 0.0763 0.00000
641 0.0229 0.00000
642 0.0480 0.00000
643 0.0380 0.00000
644 0.1061 0.00000
645 -0.0268 0.00000
646 -0.0110 0.00000
647 0.0230 0.00000
648 0.0119 0.00000
649 0.1015 0.00000
650 0.0383 0.00000
651 0.0120 0.00000
652 0.0259 0.00000
653 -0.0045 0.00000
654 0.0007 0.00000
655 0.0477 0.00000
656 -0.0018 0.00000
657 0.0702 0.00000
658 -0.0505 0.00000
659 0.0155 0.00000
660 -0.0012 0.00000
661 0.0311 0.00000
662 0.0276 0.00000
663 0.0495 0.00000
664 0.0034 0.00000
665 0.0364 0.00000
666 0.0267 0.00000
667 -0.0057 0.00000
668 0.0913 0.00000
669 -0.0154 0.00000
670 0.0162 0.00000
671 0.0317 0.00000
672 -0.0026 0.00000
673 -0.0322 0.00000
674 0.0393 0.00000
675 0.0617 0.00000
676 0.0056 0.00000
677 -0.0239 0.00000
678 -0.0370 0.00000
679 0.0442 0.00000
680 0.0851 0.00000
681 -0.0316 0.00000
682 0.0023 0.00000
683 0.0391 0.00000
684 0.0488 0.00000
685 0.1116 0.00000
686 0.0226 0.00000
687 0.0898 0.00000
688 -0.0329 0.00000
689 0.0560 0.00000
690 -0.1774 0.00000
691 0.0878 0.00000
692 -0.0191 0.00000
693 0.0476 0.00000
694 -0.0360 0.00000
695 0.0229 0.00000
696 -0.0128 0.00000
697 0.1215 0.00000
698 -0.0514 0.00000
699 0.0190 0.00000
700 -0.0006 0.00000
701 0.0778 0.00000
702 -0.0926 0.00000
703 -0.0215 0.00000
704 0.0123 0.00000
705 0.0445 0.00000
706 0.0533 0.00000
707 -0.0150 0.00000
708 -0.0019 0.00000
709 0.0090 0.00000
710 0.0134 0.00000
711 0.0258 0.00000
712 -0.0124 0.00000
713 -0.0038 0.00000
714 0.0602 0.00000
715 0.0663 0.00000
716 0.0315 0.00000
717 0.0319 0.00000
718 0.0242 0.00000
719 -0.0069 0.00000
720 0.0293 0.00000
721 0.0321 0.00000
722 0.0523 0.00000
723 -0.0214 0.00000
724 -0.0266 0.00000
725 0.0682 0.00000
726 -0.0301 0.00000
727 0.0513 0.00000
728 0.0160 0.00000
729 0.0276 0.00000
730 0.0718 0.00000
731 0.1034 0.00000
732 -0.0264 0.00000
733 0.0271 0.00000
734 0.0138 0.00000
735 0.0241 0.00000
736 -0.0007 0.00000
737 -0.0118 0.00000
738 0.0086 0.00000
739 0.0247 0.00000
740 -0.0444 0.00000
741 0.0319 0.00000
742 0.0404 0.00000
743 0.0146 0.00000
744 0.0138 0.00000
745 0.0388 0.00000
746 -0.0120 0.00000
747 0.0297 0.00000
748 0.0474 0.00000
749 0.0545 0.00000
750 0.0449 0.00000
751 -0.0395 0.00000
752 0.0168 0.00000
753 -0.0055 0.00000
754 0.0577 0.00000
755 -0.1038 0.00000
756 0.0619 0.00000
757 0.0096 0.00000
758 -0.0164 0.00000
759 0.0351 0.00000
760 0.0258 0.00000
761 0.0139 0.00000
762 -0.0239 0.00000
763 0.0105 0.00000
764 0.0842 0.00000
765 -0.0117 0.00000
766 0.0511 0.00000
767 -0.0294 0.00000
768 0.0710 0.00000
769 0.0209 0.00000
770 -0.0434 0.00000
771 0.0025 0.00000
772 0.0158 0.00000
773 -0.0242 0.00000
774 -0.0200 0.00000
775 -0.0326 0.00000
776 -0.0813 0.00000
777 -0.0062 0.00000
778 -0.0455 0.00000
779 -0.0048 0.00000
780 -0.0342 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0153 0.00000
5 -0.0250 0.00000
6 0.0435 0.00000
7 -0.0191 0.00000
8 0.0055 0.00000
9 0.0011 0.00000
10 -0.0054 0.00000
11 0.0835 0.00000
12 -0.1858 0.00000
13 -0.0316 0.00000
14 -0.0346 0.00000
15 0.0576 0.00000
16 0.4151 0.00000
17 -0.0133 0.00000
18 0.0139 0.00000
19 -0.1058 0.00000
20 0.0267 0.00000
21 -0.0248 0.00000
22 0.1372 0.00000
23 -0.0630 0.00000
24 0.1230 0.00000
25 -0.0553 0.00000
26 -0.5475 0.00000
27 -0.7402 0.00000
28 0.0507 0.00000
29 0.0749 0.00000
30 -0.5570 0.00000
31 0.0678 0.00000
32 -0.0010 0.00000
33 -0.0638 0.00000
34 -0.0719 0.00000
35 -0.0361 0.00000
36 0.1039 0.00000
37 -0.0919 0.00000
38 -0.0160 0.00000
39 0.0532 0.00000
40 0.0362 0.00000
41 -0.0514 0.00000
42 0.1284 0.00000
43 -0.1128 0.00000
44 -0.0922 0.00000
45 -0.0499 0.00000
46 0.1082 0.00000
47 0.0861 0.00000
48 0.0859 0.00000
49 -0.0319 0.00000
50 0.0290 0.00000
51 -0.1257 0.00000
52 -0.1781 0.00000
53 -0.0184 0.00000
54 -0.0787 0.00000
55 -0.1736 0.00000
56 -0.0692 0.00000
57 -0.0557 0.00000
58 -0.0322 0.00000
59 0.0471 0.00000
60 -0.3080 0.00000
61 -0.0690 0.00000
62 -0.9630 0.00000
63 -0.0368 0.00000
64 -0.1048 0.00000
65 -0.1082 0.00000
66 -0.2821 0.00000
67 0.1908 0.00000
68 0.0201 0.00000
69 -0.0491 0.00000
70 -0.0701 0.00000
71 -0.1909 0.00000
72 -0.1063 0.00000
73 -0.0118 0.00000
74 -0.0230 0.00000
75 -0.0931 0.00000
76 -0.1862 0.00000
77 -0.1188 0.00000
78 -0.4638 0.00000
79 -0.1066 0.00000
80 0.0046 0.00000
81 -0.3042 0.00000
82 -0.4270 0.00000
83 -0.0282 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1327 0.00000
90 -0.0050 0.00000
91 0.1005 0.00000
92 0.1342 0.00000
93 0.1118 0.00000
94 -0.0027 0.00000
95 0.5042 0.00000
96 0.7854 0.00000
97 0.0491 0.00000
98 -0.0551 0.00000
99 0.0876 0.00000
100 0.0045 0.00000
101 -0.0367 0.00000
102 -0.1361 0.00000
103 -0.0131 0.00000
104 0.3008 0.00000
105 -0.0337 0.00000
106 0.0223 0.00000
107 0.0496 0.00000
108 -0.1679 0.00000
109 0.0039 0.00000
110 0.0104 0.00000
111 -0.0223 0.00000
112 0.1361 0.00000
113 0.0141 0.00000
114 0.0465 0.00000
115 -0.0665 0.00000
116 0.0769 0.00000
117 -0.0162 0.00000
118 0.3853 0.00000
119 -0.1099 0.00000
120 0.3918 0.00000
121 -0.2188 0.00000
122 -0.0327 0.00000
123 -0.0831 0.00000
124 -0.3102 0.00000
125 0.1015 0.00000
126 -0.0700 0.00000
127 -0.0370 0.00000
128 -0.0015 0.00000
129 0.7761 0.00000
130 -0.0609 0.00000
131 0.0255 0.00000
132 0.0553 0.00000
133 -0.0287 0.00000
134 -0.0150 0.00000
135 0.0195 0.00000
136 -0.0537 0.00000
137 0.1591 0.00000
138 -0.1410 0.00000
139 -0.0887 0.00000
140 -0.0207 0.00000
141 -0.0148 0.00000
142 -0.0588 0.00000
143 0.0305 0.00000
144 0.0187 0.00000
145 -0.0102 0.00000
146 -0.0711 0.00000
147 -0.0877 0.00000
148 0.0930 0.00000
149 0.0215 0.00000
150 0.0413 0.00000
151 0.1097 0.00000
152 -0.2827 0.00000
153 0.0484 0.00000
154 -0.1620 0.00000
155 -0.1364 0.00000
156 0.0313 0.00000
157 -0.0841 0.00000
158 -0.1420 0.00000
159 0.0204 0.00000
160 -0.1107 0.00000
161 0.0466 0.00000
162 0.1254 0.00000
163 -0.0090 0.00000
164 -0.1420 0.00000
165 -0.0358 0.00000
166 0.0314 0.00000
167 -0.4755 0.00000
168 0.0114 0.00000
169 -0.0767 0.00000
170 0.0653 0.00000
171 0.0735 0.00000
172 0.0065 0.00000
173 -0.0322 0.00000
174 -0.0290 0.00000
175 0.0095 0.00000
176 -0.0121 0.00000
177 0.0254 0.00000
178 -0.0636 0.00000
179 -0.1035 0.00000
180 0.0332 0.00000
181 -0.1885 0.00000
182 0.0531 0.00000
183 0.0220 0.00000
184 -0.1115 0.00000
185 -0.0865 0.00000
186 -0.1143 0.00000
187 -0.1233 0.00000
188 0.0095 0.00000
189 -0.0105 0.00000
190 0.0296 0.00000
191 -0.0907 0.00000
192 0.0174 0.00000
193 -0.0189 0.00000
194 -0.2384 0.00000
195 -0.1662 0.00000
196 -0.1051 0.00000
197 0.0451 0.00000
198 -0.3123 0.00000
199 -0.1194 0.00000
200 -0.0653 0.00000
201 -0.0598 0.00000
202 -0.0534 0.00000
203 -0.0839 0.00000
204 0.0505 0.00000
205 -0.0240 0.00000
206 -0.0278 0.00000
207 -0.0263 0.00000
208 -0.0000 0.00000
209 -0.0807 0.00000
210 0.0920 0.00000
211 0.0771 0.00000
212 -0.0430 0.00000
213 -0.0938 0.00000
214 0.1278 0.00000
215 -0.1057 0.00000
216 -0.0515 0.00000
217 -0.0884 0.00000
218 -0.0389 0.00000
219 -0.0537 0.00000
220 -0.0331 0.00000
221 -0.0144 0.00000
222 -0.0284 0.00000
223 0.0134 0.00000
224 0.1707 0.00000
225 -0.0700 0.00000
226 -0.0767 0.00000
227 -0.0613 0.00000
228 0.0018 0.00000
229 -0.0997 0.00000
230 -0.2119 0.00000
231 0.1361 0.00000
232 -0.0143 0.00000
233 -0.0513 0.00000
234 -0.0411 0.00000
235 0.4062 0.00000
236 0.0110 0.00000
237 0.0930 0.00000
238 0.6832 0.00000
239 -0.0011 0.00000
240 0.1520 0.00000
241 0.1382 0.00000
242 0.1781 0.00000
243 0.0726 0.00000
244 0.0548 0.00000
245 -0.0959 0.00000
246 0.0242 0.00000
247 0.0175 0.00000
248 -0.0219 0.00000
249 -0.0160 0.00000
250 0.0111 0.00000
251 0.0638 0.00000
252 0.2084 0.00000
253 0.0694 0.00000
254 0.0517 0.00000
255 0.0011 0.00000
256 -0.0897 0.00000
257 0.0751 0.00000
258 -0.0155 0.00000
259 0.0374 0.00000
260 0.2068 0.00000
261 0.0516 0.00000
262 -0.0362 0.00000
263 0.0522 0.00000
264 -0.0380 0.00000
265 0.0819 0.00000
266 -0.0466 0.00000
267 0.0561 0.00000
268 -0.0335 0.00000
269 -0.0803 0.00000
270 -0.0192 0.00000
271 0.0706 0.00000
272 0.0304 0.00000
273 0.0786 0.00000
274 -0.0427 0.00000
275 0.0329 0.00000
276 -0.0032 0.00000
277 0.0399 0.00000
278 0.0343 0.00000
279 0.0389 0.00000
280 -0.1138 0.00000
281 -0.0128 0.00000
282 0.0228 0.00000
283 0.0266 0.00000
284 0.0585 0.00000
285 0.0767 0.00000
286 0.0069 0.00000
287 0.0366 0.00000
288 0.0374 0.00000
289 -0.0386 0.00000
290 -0.0247 0.00000
291 0.0734 0.00000
292 0.0708 0.00000
293 0.0560 0.00000
294 0.0843 0.00000
295 0.0275 0.00000
296 -0.0531 0.00000
297 -0.0991 0.00000
298 -0.1371 0.00000
299 0.0537 0.00000
300 0.2223 0.00000
301 0.1138 0.00000
302 -0.1480 0.00000
303 0.0699 0.00000
304 -0.0230 0.00000
305 -0.0432 0.00000
306 0.0381 0.00000
307 -0.0718 0.00000
308 -0.1277 0.00000
309 -0.7210 0.00000
310 -0.0084 0.00000
311 0.1072 0.00000
312 -0.0300 0.00000
313 -0.0075 0.00000
314 -0.0193 0.00000
315 0.0163 0.00000
316 -0.0937 0.00000
317 -0.0192 0.00000
318 0.0012 0.00000
319 0.0563 0.00000
320 -0.0889 0.00000
321 -0.0276 0.00000
322 -0.1550 0.00000
323 0.0335 0.00000
324 0.0103 0.00000
325 -0.0444 0.00000
326 -0.0034 0.00000
327 0.0685 0.00000
328 0.0370 0.00000
329 -0.0268 0.00000
330 0.0479 0.00000
331 -0.0093 0.00000
332 -0.0162 0.00000
333 0.0610 0.00000
334 -0.0024 0.00000
335 -0.0375 0.00000
336 0.0177 0.00000
337 0.0643 0.00000
338 -0.0215 0.00000
339 0.0134 0.00000
340 -0.0155 0.00000
341 0.0235 0.00000
342 0.0045 0.00000
343 0.0144 0.00000
344 0.0122 0.00000
345 0.0707 0.00000
346 0.0293 0.00000
347 0.1031 0.00000
348 0.0023 0.00000
349 0.0852 0.00000
350 0.0020 0.00000
351 -0.0339 0.00000
352 0.0677 0.00000
353 -0.0023 0.00000
354 0.0127 0.00000
355 -0.0636 0.00000
356 -0.0425 0.00000
357 0.0431 0.00000
358 -0.0174 0.00000
359 0.0094 0.00000
360 -0.0177 0.00000
361 -0.0413 0.00000
362 -0.0561 0.00000
363 0.0174 0.00000
364 -0.0029 0.00000
365 0.0880 0.00000
366 0.0352 0.00000
367 -0.0377 0.00000
368 -0.0144 0.00000
369 0.0529 0.00000
370 -0.0059 0.00000
371 -0.0884 0.00000
372 0.0495 0.00000
373 -0.0076 0.00000
374 0.0480 0.00000
375 -0.0261 0.00000
376 -0.0027 0.00000
377 -0.0054 0.00000
378 0.0312 0.00000
379 -0.0431 0.00000
380 0.0873 0.00000
381 -0.0524 0.00000
382 -0.0604 0.00000
383 0.0200 0.00000
384 0.0137 0.00000
385 -0.0032 0.00000
386 -0.0542 0.00000
387 -0.0332 0.00000
388 -0.0072 0.00000
389 -0.0875 0.00000
390 0.0162 0.00000
391 -0.0025 0.00000
392 0.0171 0.00000
393 0.0108 0.00000
394 -0.0394 0.00000
395 -0.1000 0.00000
396 -0.0539 0.00000
397 -0.0817 0.00000
398 -0.0174 0.00000
399 -0.0531 0.00000
400 0.0684 0.00000
401 -0.0088 0.00000
402 -0.0035 0.00000
403 0.0551 0.00000
404 0.0121 0.00000
405 -0.1458 0.00000
406 0.0525 0.00000
407 -0.0834 0.00000
408 -0.1484 0.00000
409 0.0778 0.00000
410 -0.0133 0.00000
411 -0.1063 0.00000
412 -0.0272 0.00000
413 0.0197 0.00000
414 -0.0940 0.00000
415 -0.0398 0.00000
416 -0.0716 0.00000
417 0.0301 0.00000
418 -0.1508 0.00000
419 -0.1533 0.00000
420 -0.0475 0.00000
421 -0.0671 0.00000
422 -0.0450 0.00000
423 0.0002 0.00000
424 -0.0233 0.00000
425 -0.0546 0.00000
426 0.0196 0.00000
427 -0.0761 0.00000
428 0.0130 0.00000
429 -0.1173 0.00000
430 -0.1639 0.00000
431 0.0073 0.00000
432 -0.0316 0.00000
433 -0.1143 0.00000
434 -0.0646 0.00000
435 0.0210 0.00000
436 -0.0382 0.00000
437 0.0360 0.00000
438 -0.0296 0.00000
439 -0.0532 0.00000
440 -0.0039 0.00000
441 -0.0614 0.00000
442 0.0136 0.00000
443 -0.2091 0.00000
444 0.0033 0.00000
445 -0.0097 0.00000
446 0.0719 0.00000
447 -0.0413 0.00000
448 -0.0061 0.00000
449 -0.0178 0.00000
450 -0.0410 0.00000
451 0.0557 0.00000
452 0.0174 0.00000
453 0.0364 0.00000
454 0.0326 0.00000
455 -0.0241 0.00000
456 -0.1157 0.00000
457 -0.0155 0.00000
458 -0.0305 0.00000
459 -0.0407 0.00000
460 -0.0202 0.00000
461 -0.0138 0.00000
462 0.0170 0.00000
463 -0.0215 0.00000
464 -0.0562 0.00000
465 -0.0141 0.00000
466 -0.0359 0.00000
467 0.0156 0.00000
468 -0.0742 0.00000
469 -0.0544 0.00000
470 0.0225 0.00000
471 -0.0167 0.00000
472 0.0528 0.00000
473 -0.0391 0.00000
474 -0.0689 0.00000
475 0.1220 0.00000
476 -0.0343 0.00000
477 -0.0183 0.00000
478 0.1690 0.00000
479 -0.0117 0.00000
480 0.0204 0.00000
481 0.0473 0.00000
482 -0.0180 0.00000
483 -0.0334 0.00000
484 0.0659 0.00000
485 -0.0617 0.00000
486 0.0509 0.00000
487 -0.0049 0.00000
488 -0.0965 0.00000
489 -0.0533 0.00000
490 -0.0030 0.00000
491 -0.0011 0.00000
492 -0.0037 0.00000
493 -0.0608 0.00000
494 -0.0072 0.00000
495 -0.0719 0.00000
496 -0.0563 0.00000
497 0.0599 0.00000
498 -0.0270 0.00000
499 0.0302 0.00000
500 0.0325 0.00000
501 -0.0788 0.00000
502 -0.0900 0.00000
503 0.0482 0.00000
504 0.0401 0.00000
505 -0.0433 0.00000
506 -0.0462 0.00000
507 -0.0515 0.00000
508 -0.0096 0.00000
509 -0.0842 0.00000
510 -0.0389 0.00000
511 0.0494 0.00000
512 -0.0447 0.00000
513 0.0827 0.00000
514 -0.0092 0.00000
515 -0.0316 0.00000
516 0.0563 0.00000
517 -0.0385 0.00000
518 -0.0297 0.00000
519 0.0405 0.00000
520 0.1184 0.00000
521 -0.0862 0.00000
522 -0.0270 0.00000
523 -0.2113 0.00000
524 -0.0257 0.00000
525 -0.0922 0.00000
526 -0.0375 0.00000
527 0.1056 0.00000
528 -0.1512 0.00000
529 -0.0962 0.00000
530 0.0445 0.00000
531 -0.1073 0.00000
532 -0.1260 0.00000
533 -0.0284 0.00000
534 0.0893 0.00000
535 -0.0036 0.00000
536 -0.1448 0.00000
537 0.0128 0.00000
538 0.1314 0.00000
539 -0.0347 0.00000
540 -0.0112 0.00000
541 0.1264 0.00000
542 -0.0611 0.00000
543 0.0436 0.00000
544 -0.1481 0.00000
545 0.1288 0.00000
546 0.0291 0.00000
547 -0.0440 0.00000
548 -0.0183 0.00000
549 0.0411 0.00000
550 0.1831 0.00000
551 -0.0985 0.00000
552 -0.1074 0.00000
553 0.0668 0.00000
554 -0.1383 0.00000
555 -0.0687 0.00000
556 0.0630 0.00000
557 0.0185 0.00000
558 -0.0627 0.00000
559 0.0114 0.00000
560 -0.1974 0.00000
561 0.0255 0.00000
562 -0.0658 0.00000
563 -0.0828 0.00000
564 0.0055 0.00000
565 -0.0374 0.00000
566 -0.0547 0.00000
567 0.0154 0.00000
568 -0.0151 0.00000
569 -0.0599 0.00000
570 0.0015 0.00000
571 0.0076 0.00000
572 -0.0555 0.00000
573 -0.1325 0.00000
574 0.0422 0.00000
575 -0.0641 0.00000
576 0.0406 0.00000
577 0.1215 0.00000
578 -0.0491 0.00000
579 0.0619 0.00000
580 0.0007 0.00000
581 0.1773 0.00000
582 -0.0762 0.00000
583 0.0983 0.00000
584 -0.1578 0.00000
585 -0.0062 0.00000
586 -0.0045 0.00000
587 -0.0963 0.00000
588 -0.0464 0.00000
589 -0.0236 0.00000
590 -0.0612 0.00000
591 -0.0125 0.00000
592 -0.0493 0.00000
593 -0.0169 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1245 0.00000
597 0.1284 0.00000
598 -0.0516 0.00000
599 -0.1329 0.00000
600 0.0306 0.00000
601 0.0046 0.00000
602 -0.0361 0.00000
603 -0.0196 0.00000
604 0.0141 0.00000
605 0.0452 0.00000
606 -0.0184 0.00000
607 0.0273 0.00000
608 0.0466 0.00000
609 -0.0534 0.00000
610 -0.0095 0.00000
611 -0.0415 0.00000
612 -0.0203 0.00000
613 0.0051 0.00000
614 -0.0149 0.00000
615 0.0537 0.00000
616 0.0353 0.00000
617 -0.0399 0.00000
618 0.0259 0.00000
619 -0.0655 0.00000
620 0.0701 0.00000
621 0.0310 0.00000
622 -0.0223 0.00000
623 0.0425 0.00000
624 -0.0047 0.00000
625 0.0441 0.00000
626 0.0253 0.00000
627 0.0664 0.00000
628 0.0249 0.00000
629 -0.0031 0.00000
630 0.0308 0.00000
631 0.0093 0.00000
632 0.0118 0.00000
633 0.0227 0.00000
634 0.0440 0.00000
635 0.0882 0.00000
636 0.0319 0.00000
637 0.0413 0.00000
638 0.0250 0.00000
639 0.0261 0.00000
640 0.0497 0.00000
641 -0.0300 0.00000
642 0.0923 0.00000
643 0.0758 0.00000
644 0.0732 0.00000
645 0.0891 0.00000
646 0.0251 0.00000
647 0.0406 0.00000
648 0.0127 0.00000
649 0.0456 0.00000
650 0.0525 0.00000
651 0.0230 0.00000
652 0.0015 0.00000
653 0.0658 0.00000
654 0.0258 0.00000
655 -0.1351 0.00000
656 -0.0690 0.00000
657 0.0150 0.00000
658 0.0512 0.00000
659 0.0105 0.00000
660 0.0043 0.00000
661 -0.0839 0.00000
662 -0.0505 0.00000
663 0.1317 0.00000
664 -0.0143 0.00000
665 -0.0671 0.00000
666 -0.0424 0.00000
667 0.0372 0.00000
668 0.0360 0.00000
669 -0.0210 0.00000
670 0.0326 0.00000
671 0.0002 0.00000
672 0.0276 0.00000
673 0.0421 0.00000
674 0.0087 0.00000
675 0.0120 0.00000
676 0.0397 0.00000
677 0.0951 0.00000
678 0.0112 0.00000
679 0.0619 0.00000
680 0.0100 0.00000
681 -0.0293 0.00000
682 0.0769 0.00000
683 -0.0917 0.00000
684 0.0583 0.00000
685 -0.0194 0.00000
686 0.0686 0.00000
687 0.1149 0.00000
688 -0.0145 0.00000
689 -0.0448 0.00000
690 0.0009 0.00000
691 0.1127 0.00000
692 0.0781 0.00000
693 0.0239 0.00000
694 0.0240 0.00000
695 -0.0236 0.00000
696 0.0060 0.00000
697 0.0166 0.00000
698 0.0139 0.00000
699 0.0141 0.00000
700 0.0653 0.00000
701 0.0989 0.00000
702 -0.0216 0.00000
703 -0.0403 0.00000
704 -0.0371 0.00000
705 0.0213 0.00000
706 -0.0307 0.00000
707 0.0019 0.00000
708 0.0465 0.00000
709 0.0687 0.00000
710 -0.0017 0.00000
711 0.0092 0.00000
712 0.1131 0.00000
713 -0.0028 0.00000
714 -0.0464 0.00000
715 0.0892 0.00000
716 0.0010 0.00000
717 0.0128 0.00000
718 -0.0193 0.00000
719 0.0198 0.00000
720 0.0364 0.00000
721 0.0229 0.00000
722 0.0111 0.00000
723 0.0395 0.00000
724 -0.0091 0.00000
725 0.1257 0.00000
726 0.0615 0.00000
727 0.0194 0.00000
728 0.0221 0.00000
729 -0.0691 0.00000
730 0.0817 0.00000
731 0.0213 0.00000
732 0.0511 0.00000
733 0.0359 0.00000
734 0.0182 0.00000
735 -0.0478 0.00000
736 0.0056 0.00000
737 0.0387 0.00000
738 0.0121 0.00000
739 -0.0198 0.00000
740 -0.0616 0.00000
741 0.0237 0.00000
742 0.0190 0.00000
743 -0.0098 0.00000
744 0.0446 0.00000
745 0.0311 0.00000
746 0.0112 0.00000
747 0.0022 0.00000
748 0.0283 0.00000
749 0.0729 0.00000
750 -0.0095 0.00000
751 0.0472 0.00000
752 -0.0270 0.00000
753 0.0890 0.00000
754 0.0169 0.00000
755 -0.0214 0.00000
756 -0.0243 0.00000
757 0.0330 0.00000
758 0.0347 0.00000
759 0.0461 0.00000
760 0.0117 0.00000
761 0.0457 0.00000
762 0.0640 0.00000
763 -0.0224 0.00000
764 -0.0030 0.00000
765 -0.0216 0.00000
766 -0.0686 0.00000
767 0.0040 0.00000
768 -0.0053 0.00000
769 0.0175 0.00000
770 0.0004 0.00000
771 -0.0256 0.00000
772 -0.0622 0.00000
773 0.0190 0.00000
774 -0.0294 0.00000
775 -0.0207 0.00000
776 -0.0035 0.00000
777 -0.0636 0.00000
778 -0.0054 0.00000
779 0.0179 0.00000
780 0.0180 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0151 0.00000
5 -0.0253 0.00000
6 0.0434 0.00000
7 -0.0191 0.00000
8 0.0053 0.00000
9 0.0015 0.00000
10 -0.0048 0.00000
11 0.0833 0.00000
12 -0.1866 0.00000
13 -0.0315 0.00000
14 -0.0345 0.00000
15 0.0574 0.00000
16 0.3802 0.00000
17 -0.0713 0.00000
18 0.0951 0.00000
19 -0.1086 0.00000
20 0.0458 0.00000
21 -0.0246 0.00000
22 0.1248 0.00000
23 -0.0360 0.00000
24 0.1072 0.00000
25 0.0094 0.00000
26 -0.6979 0.00000
27 -0.6541 0.00000
28 0.0144 0.00000
29 0.0891 0.00000
30 -0.5495 0.00000
31 0.0768 0.00000
32 0.0164 0.00000
33 -0.0703 0.00000
34 -0.0580 0.00000
35 -0.0419 0.00000
36 0.0137 0.00000
37 0.0427 0.00000
38 -0.0295 0.00000
39 0.0407 0.00000
40 -0.0011 0.00000
41 -0.0582 0.00000
42 0.1030 0.00000
43 -0.1102 0.00000
44 -0.2498 0.00000
45 0.1337 0.00000
46 0.1851 0.00000
47 0.0439 0.00000
48 0.0359 0.00000
49 -0.0473 0.00000
50 -0.0508 0.00000
51 -0.1234 0.00000
52 -0.0608 0.00000
53 -0.0066 0.00000
54 -0.1572 0.00000
55 -0.0620 0.00000
56 -0.0856 0.00000
57 -0.0562 0.00000
58 -0.0219 0.00000
59 -0.2635 0.00000
60 -0.0232 0.00000
61 -0.5761 0.00000
62 -0.0471 0.00000
63 -0.5201 0.00000
64 -0.0484 0.00000
65 -0.0881 0.00000
66 -0.3101 0.00000
67 -0.0192 0.00000
68 0.2175 0.00000
69 -0.0345 0.00000
70 -0.1922 0.00000
71 -0.0554 0.00000
72 -0.1065 0.00000
73 -0.0167 0.00000
74 -0.0217 0.00000
75 -0.0850 0.00000
76 -0.1933 0.00000
77 -0.1205 0.00000
78 -0.1321 0.00000
79 -0.4381 0.00000
80 0.0032 0.00000
81 -0.3041 0.00000
82 -0.4267 0.00000
83 -0.0283 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1345 0.00000
90 -0.0059 0.00000
91 0.1109 0.00000
92 0.0933 0.00000
93 0.1119 0.00000
94 -0.0197 0.00000
95 0.6079 0.00000
96 0.7099 0.00000
97 0.0417 0.00000
98 0.0178 0.00000
99 0.0767 0.00000
100 -0.0598 0.00000
101 0.0100 0.00000
102 -0.1704 0.00000
103 -0.0397 0.00000
104 0.3118 0.00000
105 0.0101 0.00000
106 0.0484 0.00000
107 -0.0552 0.00000
108 0.0436 0.00000
109 -0.1912 0.00000
110 0.0408 0.00000
111 -0.0420 0.00000
112 0.0563 0.00000
113 0.1115 0.00000
114 0.0226 0.00000
115 0.0014 0.00000
116 0.0761 0.00000
117 0.0455 0.00000
118 0.2741 0.00000
119 0.0717 0.00000
120 0.1808 0.00000
121 -0.1388 0.00000
122 -0.0639 0.00000
123 -0.1268 0.00000
124 -0.1959 0.00000
125 0.0433 0.00000
126 -0.0707 0.00000
127 -0.0512 0.00000
128 0.0242 0.00000
129 0.7615 0.00000
130 -0.0335 0.00000
131 0.0418 0.00000
132 0.0250 0.00000
133 -0.0499 0.00000
134 -0.0093 0.00000
135 0.0208 0.00000
136 -0.0574 0.00000
137 0.1529 0.00000
138 -0.1441 0.00000
139 -0.0756 0.00000
140 -0.0180 0.00000
141 -0.0156 0.00000
142 -0.0584 0.00000
143 0.0230 0.00000
144 0.0249 0.00000
145 -0.0127 0.00000
146 -0.0692 0.00000
147 -0.0883 0.00000
148 0.0908 0.00000
149 0.0337 0.00000
150 0.0398 0.00000
151 0.0331 0.00000
152 -0.2434 0.00000
153 0.0756 0.00000
154 -0.0654 0.00000
155 -0.0697 0.00000
156 0.0010 0.00000
157 -0.2735 0.00000
158 0.0122 0.00000
159 -0.3848 0.00000
160 0.2300 0.00000
161 0.1772 0.00000
162 -0.1000 0.00000
163 -0.0594 0.00000
164 -0.0752 0.00000
165 -0.0244 0.00000
166 -0.4190 0.00000
167 0.0205 0.00000
168 -0.0187 0.00000
169 -0.0112 0.00000
170 0.0212 0.00000
171 -0.0630 0.00000
172 0.0309 0.00000
173 -0.0597 0.00000
174 0.1252 0.00000
175 0.0651 0.00000
176 0.0257 0.00000
177 -0.0965 0.00000
178 -0.0440 0.00000
179 -0.0017 0.00000
180 -0.0213 0.00000
181 -0.0693 0.00000
182 -0.0543 0.00000
183 -0.3114 0.00000
184 -0.0626 0.00000
185 -0.0014 0.00000
186 0.0347 0.00000
187 -0.0163 0.00000
188 -0.0234 0.00000
189 -0.0148 0.00000
190 0.0102 0.00000
191 -0.0814 0.00000
192 -0.0307 0.00000
193 -0.1475 0.00000
194 -0.2672 0.00000
195 -0.0495 0.00000
196 -0.1823 0.00000
197 0.0358 0.00000
198 -0.3004 0.00000
199 -0.0387 0.00000
200 0.0689 0.00000
201 -0.2108 0.00000
202 -0.0652 0.00000
203 0.0038 0.00000
204 -0.0154 0.00000
205 0.0062 0.00000
206 -0.0505 0.00000
207 -0.0203 0.00000
208 0.0230 0.00000
209 -0.0437 0.00000
210 0.0138 0.00000
211 0.0531 0.00000
212 -0.0730 0.00000
213 -0.0719 0.00000
214 0.1550 0.00000
215 0.1047 0.00000
216 -0.2064 0.00000
217 -0.0756 0.00000
218 -0.1024 0.00000
219 0.0468 0.00000
220 -0.0428 0.00000
221 -0.0357 0.00000
222 -0.1076 0.00000
223 0.0298 0.00000
224 0.1186 0.00000
225 -0.0239 0.00000
226 -0.0668 0.00000
227 -0.0654 0.00000
228 -0.0162 0.00000
229 -0.1023 0.00000
230 -0.1801 0.00000
231 0.1359 0.00000
232 -0.0325 0.00000
233 -0.0389 0.00000
234 -0.0123 0.00000
235 0.4682 0.00000
236 0.0031 0.00000
237 0.1425 0.00000
238 0.3722 0.00000
239 0.2346 0.00000
240 0.0892 0.00000
241 0.2140 0.00000
242 0.0477 0.00000
243 -0.0282 0.00000
244 -0.0991 0.00000
245 0.1493 0.00000
246 0.0861 0.00000
247 -0.0113 0.00000
248 -0.0305 0.00000
249 0.0514 0.00000
250 0.0211 0.00000
251 0.1192 0.00000
252 0.0871 0.00000
253 0.1798 0.00000
254 0.0266 0.00000
255 0.0597 0.00000
256 -0.0379 0.00000
257 -0.1527 0.00000
258 -0.0067 0.00000
259 0.0980 0.00000
260 0.1542 0.00000
261 0.0479 0.00000
262 0.0617 0.00000
263 0.0088 0.00000
264 -0.0727 0.00000
265 0.0384 0.00000
266 0.0389 0.00000
267 0.0770 0.00000
268 -0.0473 0.00000
269 0.0212 0.00000
270 0.0853 0.00000
271 0.0121 0.00000
272 0.0033 0.00000
273 0.0900 0.00000
274 -0.0760 0.00000
275 0.0001 0.00000
276 -0.0203 0.00000
277 -0.0684 0.00000
278 0.0238 0.00000
279 0.0631 0.00000
280 -0.0748 0.00000
281 -0.0177 0.00000
282 0.0371 0.00000
283 -0.0046 0.00000
284 -0.0069 0.00000
285 -0.0519 0.00000
286 0.1622 0.00000
287 0.0402 0.00000
288 0.0695 0.00000
289 0.0374 0.00000
290 -0.0516 0.00000
291 -0.0120 0.00000
292 0.1437 0.00000
293 0.0890 0.00000
294 -0.0007 0.00000
295 -0.0081 0.00000
296 0.0543 0.00000
297 -0.0670 0.00000
298 0.1177 0.00000
299 0.0647 0.00000
300 0.0161 0.00000
301 -0.0833 0.00000
302 -0.0838 0.00000
303 -0.1510 0.00000
304 -0.0346 0.00000
305 -0.0015 0.00000
306 -0.4907 0.00000
307 0.0763 0.00000
308 0.0614 0.00000
309 0.1342 0.00000
310 0.0024 0.00000
311 -0.1257 0.00000
312 0.0310 0.00000
313 0.0559 0.00000
314 -0.4223 0.00000
315 -0.0509 0.00000
316 -0.1105 0.00000
317 0.0186 0.00000
318 0.0001 0.00000
319 -0.0980 0.00000
320 -0.0039 0.00000
321 0.0507 0.00000
322 -0.0627 0.00000
323 0.0773 0.00000
324 -0.0339 0.00000
325 0.0430 0.00000
326 0.0001 0.00000
327 -0.0455 0.00000
328 -0.0212 0.00000
329 -0.0166 0.00000
330 -0.0020 0.00000
331 0.1083 0.00000
332 0.0297 0.00000
333 0.0127 0.00000
334 0.0509 0.00000
335 -0.0188 0.00000
336 0.0636 0.00000
337 -0.0267 0.00000
338 0.0179 0.00000
339 0.0548 0.00000
340 0.0146 0.00000
341 -0.0273 0.00000
342 0.0096 0.00000
343 0.0193 0.00000
344 0.0478 0.00000
345 0.0565 0.00000
346 -0.0038 0.00000
347 -0.0493 0.00000
348 0.0692 0.00000
349 -0.0232 0.00000
350 0.0444 0.00000
351 0.0092 0.00000
352 0.0246 0.00000
353 0.0091 0.00000
354 -0.0324 0.00000
355 0.0895 0.00000
356 0.0030 0.00000
357 -0.0034 0.00000
358 0.0533 0.00000
359 -0.0106 0.00000
360 -0.0064 0.00000
361 -0.0476 0.00000
362 -0.0431 0.00000
363 0.0070 0.00000
364 -0.0148 0.00000
365 0.0228 0.00000
366 -0.0369 0.00000
367 0.0185 0.00000
368 0.0111 0.00000
369 -0.0501 0.00000
370 -0.0085 0.00000
371 0.0185 0.00000
372 0.0610 0.00000
373 -0.1053 0.00000
374 -0.0638 0.00000
375 0.0088 0.00000
376 0.0150 0.00000
377 0.0257 0.00000
378 0.0350 0.00000
379 -0.0112 0.00000
380 -0.0284 0.00000
381 -0.0123 0.00000
382 -0.0388 0.00000
383 -0.0581 0.00000
384 -0.0402 0.00000
385 0.0020 0.00000
386 0.0093 0.00000
387 0.0094 0.00000
388 -0.0068 0.00000
389 -0.0118 0.00000
390 0.0035 0.00000
391 -0.0275 0.00000
392 0.0197 0.00000
393 -0.0409 0.00000
394 -0.0938 0.00000
395 -0.0334 0.00000
396 0.0988 0.00000
397 0.0202 0.00000
398 -0.0338 0.00000
399 0.0094 0.00000
400 -0.0265 0.00000
401 0.0517 0.00000
402 0.0466 0.00000
403 -0.0928 0.00000
404 -0.0588 0.00000
405 0.0048 0.00000
406 -0.0391 0.00000
407 -0.2570 0.00000
408 -0.0110 0.00000
409 0.0250 0.00000
410 -0.0450 0.00000
411 -0.0461 0.00000
412 -0.0253 0.00000
413 0.0068 0.00000
414 -0.0763 0.00000
415 -0.0795 0.00000
416 -0.0802 0.00000
417 -0.0316 0.00000
418 -0.1099 0.00000
419 -0.0828 0.00000
420 -0.1891 0.00000
421 -0.0226 0.00000
422 -0.0814 0.00000
423 -0.0208 0.00000
424 -0.0381 0.00000
425 -0.0279 0.00000
426 0.0286 0.00000
427 -0.0753 0.00000
428 -0.0329 0.00000
429 0.0264 0.00000
430 -0.0780 0.00000
431 -0.0382 0.00000
432 -0.1121 0.00000
433 -0.1080 0.00000
434 -0.0064 0.00000
435 -0.0469 0.00000
436 0.0089 0.00000
437 -0.0032 0.00000
438 0.0724 0.00000
439 -0.0432 0.00000
440 0.0215 0.00000
441 -0.0077 0.00000
442 -0.0372 0.00000
443 -0.0167 0.00000
444 0.0242 0.00000
445 -0.0510 0.00000
446 -0.0266 0.00000
447 -0.0479 0.00000
448 -0.0900 0.00000
449 -0.0378 0.00000
450 -0.0617 0.00000
451 0.0159 0.00000
452 0.0027 0.00000
453 -0.0456 0.00000
454 -0.0235 0.00000
455 0.0346 0.00000
456 -0.0403 0.00000
457 0.0024 0.00000
458 0.0473 0.00000
459 -0.0094 0.00000
460 -0.0203 0.00000
461 0.0284 0.00000
462 -0.0873 0.00000
463 -0.0180 0.00000
464 -0.0258 0.00000
465 -0.0573 0.00000
466 -0.0765 0.00000
467 -0.0034 0.00000
468 -0.0709 0.00000
469 0.0074 0.00000
470 -0.1184 0.00000
471 0.0079 0.00000
472 0.0564 0.00000
473 0.0518 0.00000
474 0.1195 0.00000
475 0.0318 0.00000
476 0.0024 0.00000
477 -0.0149 0.00000
478 0.0509 0.00000
479 0.0306 0.00000
480 0.0370 0.00000
481 0.0133 0.00000
482 -0.0420 0.00000
483 0.0432 0.00000
484 -0.0424 0.00000
485 0.0394 0.00000
486 -0.0438 0.00000
487 -0.0437 0.00000
488 -0.0466 0.00000
489 -0.0464 0.00000
490 -0.0240 0.00000
491 -0.0777 0.00000
492 -0.0864 0.00000
493 -0.0087 0.00000
494 -0.1079 0.00000
495 0.0292 0.00000
496 -0.0328 0.00000
497 0.0113 0.00000
498 0.0085 0.00000
499 -0.0679 0.00000
500 0.0200 0.00000
501 0.0292 0.00000
502 0.0620 0.00000
503 -0.0190 0.00000
504 -0.0110 0.00000
505 -0.0289 0.00000
506 -0.0268 0.00000
507 -0.0041 0.00000
508 -0.0908 0.00000
509 0.0435 0.00000
510 -0.0129 0.00000
511 -0.0066 0.00000
512 0.0939 0.00000
513 0.0754 0.00000
514 0.0748 0.00000
515 -0.0960 0.00000
516 -0.1411 0.00000
517 -0.0057 0.00000
518 -0.0202 0.00000
519 -0.0290 0.00000
520 -0.0352 0.00000
521 -0.0595 0.00000
522 0.0882 0.00000
523 0.0155 0.00000
524 -0.0822 0.00000
525 0.0611 0.00000
526 -0.0534 0.00000
527 -0.0735 0.00000
528 -0.0918 0.00000
529 0.0803 0.00000
530 -0.0711 0.00000
531 -0.1600 0.00000
532 0.0171 0.00000
533 -0.2973 0.00000
534 -0.0135 0.00000
535 -0.0419 0.00000
536 -0.0888 0.00000
537 -0.1029 0.00000
538 -0.0020 0.00000
539 0.3039 0.00000
540 -0.0266 0.00000
541 -0.0123 0.00000
542 -0.0706 0.00000
543 0.0345 0.00000
544 0.0590 0.00000
545 -0.0124 0.00000
546 -0.0318 0.00000
547 0.0472 0.00000
548 0.0438 0.00000
549 -0.0238 0.00000
550 0.0307 0.00000
551 0.0179 0.00000
552 0.0319 0.00000
553 -0.0564 0.00000
554 -0.0123 0.00000
555 0.0683 0.00000
556 -0.1232 0.00000
557 -0.0254 0.00000
558 0.0999 0.00000
559 -0.1805 0.00000
560 -0.0030 0.00000
561 -0.1321 0.00000
562 -0.0938 0.00000
563 -0.0619 0.00000
564 0.0073 0.00000
565 -0.0818 0.00000
566 0.0134 0.00000
567 -0.0770 0.00000
568 0.0348 0.00000
569 -0.0684 0.00000
570 0.0797 0.00000
571 -0.0067 0.00000
572 0.0726 0.00000
573 -0.0654 0.00000
574 -0.0417 0.00000
575 -0.0952 0.00000
576 -0.0276 0.00000
577 0.1379 0.00000
578 0.1497 0.00000
579 -0.0719 0.00000
580 -0.1196 0.00000
581 0.1599 0.00000
582 0.0421 0.00000
583 0.0290 0.00000
584 -0.1386 0.00000
585 -0.0269 0.00000
586 -0.0093 0.00000
587 -0.1036 0.00000
588 -0.0322 0.00000
589 -0.0227 0.00000
590 -0.0863 0.00000
591 0.0110 0.00000
592 -0.0466 0.00000
593 -0.0136 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1244 0.00000
597 0.1283 0.00000
598 -0.0271 0.00000
599 -0.2102 0.00000
600 0.0528 0.00000
601 0.0817 0.00000
602 -0.0098 0.00000
603 -0.0033 0.00000
604 0.0203 0.00000
605 -0.0215 0.00000
606 -0.1570 0.00000
607 0.0173 0.00000
608 0.0551 0.00000
609 -0.0237 0.00000
610 0.0188 0.00000
611 0.0074 0.00000
612 0.0147 0.00000
613 0.0592 0.00000
614 -0.0230 0.00000
615 -0.0170 0.00000
616 -0.0508 0.00000
617 -0.0004 0.00000
618 -0.0184 0.00000
619 0.0382 0.00000
620 0.0068 0.00000
621 -0.0264 0.00000
622 -0.0122 0.00000
623 0.0800 0.00000
624 0.0677 0.00000
625 0.1037 0.00000
626 0.0419 0.00000
627 0.0461 0.00000
628 0.0218 0.00000
629 -0.0247 0.00000
630 -0.0226 0.00000
631 0.0721 0.00000
632 0.0642 0.00000
633 0.0319 0.00000
634 0.0370 0.00000
635 -0.0088 0.00000
636 0.0259 0.00000
637 0.0319 0.00000
638 0.0370 0.00000
639 -0.0020 0.00000
640 0.0474 0.00000
641 0.0461 0.00000
642 0.0777 0.00000
643 0.0662 0.00000
644 0.0393 0.00000
645 -0.0440 0.00000
646 -0.0258 0.00000
647 0.0108 0.00000
648 -0.0056 0.00000
649 0.0886 0.00000
650 0.0305 0.00000
651 0.0682 0.00000
652 -0.0184 0.00000
653 0.0656 0.00000
654 0.0154 0.00000
655 0.0040 0.00000
656 0.0102 0.00000
657 -0.0132 0.00000
658 -0.0323 0.00000
659 0.0922 0.00000
660 0.0276 0.00000
661 -0.0425 0.00000
662 0.0895 0.00000
663 -0.0290 0.00000
664 -0.0085 0.00000
665 -0.0095 0.00000
666 -0.0130 0.00000
667 0.0005 0.00000
668 0.0950 0.00000
669 -0.0048 0.00000
670 0.0886 0.00000
671 -0.0263 0.00000
672 -0.0155 0.00000
673 0.0957 0.00000
674 0.0329 0.00000
675 -0.0162 0.00000
676 -0.0252 0.00000
677 0.0744 0.00000
678 -0.0261 0.00000
679 0.0501 0.00000
680 -0.0168 0.00000
681 -0.0010 0.00000
682 0.1453 0.00000
683 -0.0003 0.00000
684 0.0406 0.00000
685 0.0110 0.00000
686 0.1573 0.00000
687 -0.0447 0.00000
688 -0.0297 0.00000
689 -0.0289 0.00000
690 -0.0585 0.00000
691 -0.0110 0.00000
692 0.0600 0.00000
693 0.0216 0.00000
694 0.0140 0.00000
695 0.0201 0.00000
696 0.0031 0.00000
697 0.0827 0.00000
698 -0.0178 0.00000
699 -0.0324 0.00000
700 -0.0586 0.00000
701 -0.0316 0.00000
702 0.0154 0.00000
703 0.0060 0.00000
704 0.0224 0.00000
705 0.1032 0.00000
706 0.0708 0.00000
707 0.0515 0.00000
708 0.0836 0.00000
709 0.0740 0.00000
710 0.0200 0.00000
711 -0.0070 0.00000
712 -0.0469 0.00000
713 0.0216 0.00000
714 0.0412 0.00000
715 0.0171 0.00000
716 -0.0493 0.00000
717 0.0519 0.00000
718 -0.0397 0.00000
719 0.0217 0.00000
720 -0.0008 0.00000
721 0.0378 0.00000
722 0.0695 0.00000
723 -0.0016 0.00000
724 -0.0088 0.00000
725 0.0335 0.00000
726 0.1132 0.00000
727 0.0120 0.00000
728 0.0478 0.00000
729 -0.0075 0.00000
730 -0.0261 0.00000
731 0.0157 0.00000
732 -0.0243 0.00000
733 0.0235 0.00000
734 0.0707 0.00000
735 0.0386 0.00000
736 -0.0047 0.00000
737 0.0156 0.00000
738 -0.0025 0.00000
739 0.0066 0.00000
740 -0.0125 0.00000
741 0.0121 0.00000
742 0.1357 0.00000
743 0.1616 0.00000
744 -0.0057 0.00000
745 0.0021 0.00000
746 -0.0500 0.00000
747 -0.0487 0.00000
748 0.0218 0.00000
749 -0.0541 0.00000
750 0.0192 0.00000
751 0.0794 0.00000
752 0.0608 0.00000
753 -0.0318 0.00000
754 -0.0442 0.00000
755 -0.0935 0.00000
756 0.0050 0.00000
757 0.0164 0.00000
758 0.0179 0.00000
759 -0.0102 0.00000
760 -0.0810 0.00000
761 0.0442 0.00000
762 0.0187 0.00000
763 0.0061 0.00000
764 0.0059 0.00000
765 0.0210 0.00000
766 0.0152 0.00000
767 -0.0204 0.00000
768 0.0472 0.00000
769 0.0100 0.00000
770 -0.0150 0.00000
771 -0.0115 0.00000
772 0.0034 0.00000
773 -0.0182 0.00000
774 0.0205 0.00000
775 -0.0168 0.00000
776 0.0196 0.00000
777 0.0106 0.00000
778 0.0106 0.00000
779 0.0360 0.00000
780 0.0320 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.1294 0.00000
2 0.1012 0.00000
3 0.0465 0.00000
4 -0.0151 0.00000
5 -0.0252 0.00000
6 0.0434 0.00000
7 -0.0192 0.00000
8 0.0049 0.00000
9 0.0020 0.00000
10 -0.0048 0.00000
11 0.0834 0.00000
12 -0.1865 0.00000
13 -0.0316 0.00000
14 -0.0346 0.00000
15 0.0574 0.00000
16 0.4165 0.00000
17 -0.0119 0.00000
18 0.0097 0.00000
19 -0.1399 0.00000
20 0.0620 0.00000
21 -0.0237 0.00000
22 0.1377 0.00000
23 -0.0492 0.00000
24 0.1057 0.00000
25 0.0052 0.00000
26 -0.7760 0.00000
27 -0.5717 0.00000
28 0.0063 0.00000
29 0.0852 0.00000
30 -0.4696 0.00000
31 0.0188 0.00000
32 -0.0029 0.00000
33 -0.0640 0.00000
34 -0.0723 0.00000
35 -0.0360 0.00000
36 0.1065 0.00000
37 -0.0902 0.00000
38 -0.0155 0.00000
39 -0.0003 0.00000
40 0.0919 0.00000
41 -0.0553 0.00000
42 0.0915 0.00000
43 -0.1120 0.00000
44 0.0509 0.00000
45 -0.1652 0.00000
46 0.1368 0.00000
47 0.0749 0.00000
48 0.0855 0.00000
49 -0.0567 0.00000
50 -0.0044 0.00000
51 -0.1236 0.00000
52 -0.1430 0.00000
53 -0.0078 0.00000
54 -0.1355 0.00000
55 -0.0933 0.00000
56 -0.0977 0.00000
57 -0.0562 0.00000
58 -0.0163 0.00000
59 0.0506 0.00000
60 -0.3110 0.00000
61 -0.8263 0.00000
62 0.0303 0.00000
63 -0.2888 0.00000
64 -0.1407 0.00000
65 -0.1085 0.00000
66 -0.2435 0.00000
67 -0.0210 0.00000
68 0.2118 0.00000
69 -0.0343 0.00000
70 -0.1851 0.00000
71 -0.0643 0.00000
72 -0.1063 0.00000
73 -0.0167 0.00000
74 -0.0217 0.00000
75 -0.0857 0.00000
76 -0.1911 0.00000
77 -0.1179 0.00000
78 -0.1330 0.00000
79 -0.4418 0.00000
80 0.0037 0.00000
81 -0.3037 0.00000
82 -0.4268 0.00000
83 -0.0283 0.00000
84 0.0156 0.00000
85 0.0108 0.00000
86 0.0082 0.00000
87 0.0365 0.00000
88 0.1409 0.00000
89 0.1343 0.00000
90 -0.0054 0.00000
91 0.1107 0.00000
92 0.0930 0.00000
93 0.1110 0.00000
94 -0.0231 0.00000
95 0.6268 0.00000
96 0.6420 0.00000
97 0.1061 0.00000
98 0.0033 0.00000
99 0.0358 0.00000
100 0.0217 0.00000
101 -0.0360 0.00000
102 -0.1593 0.00000
103 -0.0199 0.00000
104 0.3176 0.00000
105 0.0044 0.00000
106 -0.0046 0.00000
107 -0.0491 0.00000
108 0.0624 0.00000
109 -0.2160 0.00000
110 0.0768 0.00000
111 -0.0163 0.00000
112 0.1344 0.00000
113 0.0174 0.00000
114 0.0464 0.00000
115 -0.0309 0.00000
116 0.0388 0.00000
117 0.0045 0.00000
118 0.3551 0.00000
119 -0.0964 0.00000
120 0.3805 0.00000
121 -0.2030 0.00000
122 -0.0551 0.00000
123 -0.0247 0.00000
124 -0.3257 0.00000
125 0.0870 0.00000
126 -0.0581 0.00000
127 -0.0516 0.00000
128 0.0118 0.00000
129 0.7396 0.00000
130 -0.0214 0.00000
131 0.0441 0.00000
132 0.0478 0.00000
133 -0.0657 0.00000
134 -0.0077 0.00000
135 0.0196 0.00000
136 -0.0510 0.00000
137 0.1528 0.00000
138 -0.1475 0.00000
139 -0.0814 0.00000
140 -0.0200 0.00000
141 -0.0155 0.00000
142 -0.0580 0.00000
143 0.0309 0.00000
144 0.0186 0.00000
145 -0.0118 0.00000
146 -0.0683 0.00000
147 -0.0882 0.00000
148 0.0938 0.00000
149 0.0206 0.00000
150 0.0482 0.00000
151 0.1078 0.00000
152 -0.2027 0.00000
153 -0.0132 0.00000
154 -0.1487 0.00000
155 -0.2099 0.00000
156 -0.0276 0.00000
157 0.0045 0.00000
158 0.0801 0.00000
159 -0.3050 0.00000
160 0.0363 0.00000
161 -0.0113 0.00000
162 0.2351 0.00000
163 -0.0827 0.00000
164 -0.1245 0.00000
165 -0.0897 0.00000
166 -0.0962 0.00000
167 -0.3250 0.00000
168 -0.1021 0.00000
169 0.0983 0.00000
170 0.0149 0.00000
171 -0.0506 0.00000
172 0.0045 0.00000
173 0.0846 0.00000
174 -0.0532 0.00000
175 0.0419 0.00000
176 0.0271 0.00000
177 -0.0444 0.00000
178 -0.0622 0.00000
179 -0.0094 0.00000
180 -0.1001 0.00000
181 0.0549 0.00000
182 -0.1045 0.00000
183 -0.2015 0.00000
184 -0.0691 0.00000
185 -0.0168 0.00000
186 -0.0031 0.00000
187 -0.1028 0.00000
188 -0.0350 0.00000
189 -0.0300 0.00000
190 -0.0039 0.00000
191 -0.0331 0.00000
192 0.0357 0.00000
193 -0.0218 0.00000
194 -0.2096 0.00000
195 -0.2880 0.00000
196 -0.1040 0.00000
197 0.0298 0.00000
198 -0.2052 0.00000
199 -0.1245 0.00000
200 0.0144 0.00000
201 -0.1361 0.00000
202 -0.0511 0.00000
203 -0.0250 0.00000
204 0.0053 0.00000
205 -0.0679 0.00000
206 -0.0444 0.00000
207 -0.0265 0.00000
208 0.0159 0.00000
209 -0.0580 0.00000
210 0.0660 0.00000
211 0.0298 0.00000
212 -0.0014 0.00000
213 -0.0603 0.00000
214 0.0949 0.00000
215 -0.0116 0.00000
216 -0.1191 0.00000
217 0.0204 0.00000
218 -0.1147 0.00000
219 -0.0788 0.00000
220 -0.0050 0.00000
221 0.0014 0.00000
222 -0.1021 0.00000
223 0.0220 0.00000
224 0.1144 0.00000
225 -0.0268 0.00000
226 -0.0743 0.00000
227 -0.0645 0.00000
228 -0.0171 0.00000
229 -0.1030 0.00000
230 -0.1794 0.00000
231 0.1369 0.00000
232 -0.0195 0.00000
233 -0.0470 0.00000
234 -0.0124 0.00000
235 0.4367 0.00000
236 0.0184 0.00000
237 0.0187 0.00000
238 0.5839 0.00000
239 0.2076 0.00000
240 0.0569 0.00000
241 0.2178 0.00000
242 0.0376 0.00000
243 0.0033 0.00000
244 -0.0969 0.00000
245 0.1202 0.00000
246 0.0510 0.00000
247 0.0112 0.00000
248 -0.0291 0.00000
249 0.0232 0.00000
250 0.0520 0.00000
251 0.0545 0.00000
252 0.2589 0.00000
253 0.0129 0.00000
254 0.0167 0.00000
255 0.1046 0.00000
256 -0.0806 0.00000
257 0.0252 0.00000
258 -0.0381 0.00000
259 0.1689 0.00000
260 -0.0664 0.00000
261 0.0901 0.00000
262 0.0884 0.00000
263 0.0364 0.00000
264 -0.0906 0.00000
265 0.0141 0.00000
266 0.0770 0.00000
267 -0.0415 0.00000
268 0.0792 0.00000
269 -0.0152 0.00000
270 0.0843 0.00000
271 0.0057 0.00000
272 -0.0116 0.00000
273 0.0998 0.00000
274 -0.0386 0.00000
275 -0.0933 0.00000
276 0.0141 0.00000
277 0.0167 0.00000
278 -0.0161 0.00000
279 0.0411 0.00000
280 -0.0481 0.00000
281 -0.0467 0.00000
282 0.0658 0.00000
283 -0.0213 0.00000
284 -0.0067 0.00000
285 0.0920 0.00000
286 -0.0210 0.00000
287 0.0644 0.00000
288 0.0253 0.00000
289 0.0152 0.00000
290 0.0556 0.00000
291 0.0567 0.00000
292 0.1460 0.00000
293 -0.0925 0.00000
294 -0.0641 0.00000
295 0.1424 0.00000
296 -0.0864 0.00000
297 -0.0275 0.00000
298 0.1839 0.00000
299 0.1040 0.00000
300 -0.0953 0.00000
301 -0.1579 0.00000
302 -0.0438 0.00000
303 0.0186 0.00000
304 0.0358 0.00000
305 0.0442 0.00000
306 -0.2555 0.00000
307 -0.0543 0.00000
308 -0.0327 0.00000
309 0.0586 0.00000
310 -0.0193 0.00000
311 -0.1522 0.00000
312 -0.0358 0.00000
313 -0.2287 0.00000
314 -0.0213 0.00000
315 -0.0941 0.00000
316 -0.0118 0.00000
317 -0.1714 0.00000
318 0.0008 0.00000
319 -0.0015 0.00000
320 -0.0530 0.00000
321 0.0548 0.00000
322 -0.0956 0.00000
323 0.0741 0.00000
324 0.0022 0.00000
325 0.0196 0.00000
326 -0.0251 0.00000
327 -0.0243 0.00000
328 0.0057 0.00000
329 -0.0041 0.00000
330 0.0670 0.00000
331 0.1063 0.00000
332 0.0138 0.00000
333 -0.0492 0.00000
334 0.0436 0.00000
335 -0.0002 0.00000
336 -0.0151 0.00000
337 -0.0067 0.00000
338 0.0451 0.00000
339 0.0325 0.00000
340 -0.0294 0.00000
341 0.0480 0.00000
342 0.0643 0.00000
343 0.0206 0.00000
344 -0.0087 0.00000
345 -0.0041 0.00000
346 0.0352 0.00000
347 0.0450 0.00000
348 0.0515 0.00000
349 -0.0249 0.00000
350 -0.0428 0.00000
351 -0.0177 0.00000
352 0.0634 0.00000
353 0.0512 0.00000
354 0.0617 0.00000
355 0.0271 0.00000
356 -0.0215 0.00000
357 -0.0002 0.00000
358 -0.0116 0.00000
359 0.0158 0.00000
360 -0.0361 0.00000
361 -0.0637 0.00000
362 -0.0116 0.00000
363 0.0019 0.00000
364 0.0221 0.00000
365 -0.0050 0.00000
366 0.0564 0.00000
367 -0.0105 0.00000
368 -0.0337 0.00000
369 -0.0033 0.00000
370 0.0182 0.00000
371 -0.0192 0.00000
372 -0.0903 0.00000
373 0.0211 0.00000
374 -0.1178 0.00000
375 0.0268 0.00000
376 -0.0328 0.00000
377 0.0906 0.00000
378 0.0088 0.00000
379 -0.0329 0.00000
380 0.0156 0.00000
381 0.0034 0.00000
382 -0.0062 0.00000
383 -0.0615 0.00000
384 -0.0213 0.00000
385 0.0243 0.00000
386 -0.0536 0.00000
387 -0.0423 0.00000
388 0.0737 0.00000
389 0.0212 0.00000
390 -0.0431 0.00000
391 -0.0446 0.00000
392 0.0101 0.00000
393 -0.0136 0.00000
394 0.0415 0.00000
395 -0.0435 0.00000
396 -0.0763 0.00000
397 0.0102 0.00000
398 0.0212 0.00000
399 0.0425 0.00000
400 -0.0386 0.00000
401 -0.0052 0.00000
402 0.0568 0.00000
403 -0.0343 0.00000
404 -0.0061 0.00000
405 -0.0169 0.00000
406 -0.0293 0.00000
407 -0.0371 0.00000
408 -0.2266 0.00000
409 -0.0041 0.00000
410 -0.1603 0.00000
411 -0.0500 0.00000
412 -0.0068 0.00000
413 -0.0931 0.00000
414 -0.0339 0.00000
415 -0.0501 0.00000
416 -0.0458 0.00000
417 -0.0379 0.00000
418 -0.0482 0.00000
419 -0.0342 0.00000
420 -0.0380 0.00000
421 0.0143 0.00000
422 -0.1958 0.00000
423 -0.0188 0.00000
424 -0.1217 0.00000
425 -0.0172 0.00000
426 -0.0966 0.00000
427 -0.0386 0.00000
428 0.0086 0.00000
429 -0.1314 0.00000
430 -0.1475 0.00000
431 -0.0744 0.00000
432 0.0132 0.00000
433 -0.0396 0.00000
434 0.0018 0.00000
435 0.0175 0.00000
436 0.0298 0.00000
437 0.0746 0.00000
438 -0.0811 0.00000
439 0.0158 0.00000
440 0.0098 0.00000
441 -0.0628 0.00000
442 -0.0022 0.00000
443 -0.2226 0.00000
444 0.0200 0.00000
445 -0.0100 0.00000
446 -0.0019 0.00000
447 0.0200 0.00000
448 -0.0008 0.00000
449 -0.0836 0.00000
450 -0.0267 0.00000
451 -0.0275 0.00000
452 0.1185 0.00000
453 -0.0007 0.00000
454 -0.0357 0.00000
455 -0.0263 0.00000
456 -0.0257 0.00000
457 -0.0641 0.00000
458 0.0090 0.00000
459 -0.0236 0.00000
460 -0.0094 0.00000
461 0.0699 0.00000
462 -0.0218 0.00000
463 -0.0474 0.00000
464 -0.0067 0.00000
465 -0.0522 0.00000
466 -0.0221 0.00000
467 -0.0579 0.00000
468 0.0384 0.00000
469 -0.0538 0.00000
470 -0.0749 0.00000
471 -0.0227 0.00000
472 -0.0059 0.00000
473 0.0563 0.00000
474 0.1257 0.00000
475 -0.0519 0.00000
476 0.1904 0.00000
477 -0.0620 0.00000
478 -0.0096 0.00000
479 0.0059 0.00000
480 -0.0483 0.00000
481 0.0261 0.00000
482 0.0247 0.00000
483 -0.1280 0.00000
484 0.0149 0.00000
485 -0.0101 0.00000
486 0.0194 0.00000
487 -0.1166 0.00000
488 0.0191 0.00000
489 0.0647 0.00000
490 -0.0700 0.00000
491 -0.0070 0.00000
492 -0.0441 0.00000
493 0.0262 0.00000
494 -0.0515 0.00000
495 -0.0100 0.00000
496 -0.0826 0.00000
497 -0.0145 0.00000
498 -0.0410 0.00000
499 -0.0447 0.00000
500 -0.0251 0.00000
501 0.0134 0.00000
502 0.0409 0.00000
503 0.0358 0.00000
504 -0.0699 0.00000
505 -0.1315 0.00000
506 0.0218 0.00000
507 -0.0291 0.00000
508 0.0259 0.00000
509 0.0063 0.00000
510 -0.0621 0.00000
511 0.0169 0.00000
512 0.0413 0.00000
513 0.0439 0.00000
514 -0.0199 0.00000
515 -0.0617 0.00000
516 -0.0942 0.00000
517 0.0254 0.00000
518 0.0239 0.00000
519 -0.0738 0.00000
520 -0.0094 0.00000
521 0.0176 0.00000
522 -0.1302 0.00000
523 -0.1280 0.00000
524 0.0008 0.00000
525 -0.0516 0.00000
526 0.0034 0.00000
527 -0.0228 0.00000
528 0.1271 0.00000
529 -0.1650 0.00000
530 -0.0027 0.00000
531 -0.0161 0.00000
532 0.1124 0.00000
533 -0.0057 0.00000
534 -0.0004 0.00000
535 -0.0220 0.00000
536 -0.0201 0.00000
537 -0.0332 0.00000
538 -0.0735 0.00000
539 0.1088 0.00000
540 -0.0704 0.00000
541 0.1095 0.00000
542 -0.0251 0.00000
543 -0.0453 0.00000
544 -0.0626 0.00000
545 0.1454 0.00000
546 -0.0252 0.00000
547 0.0073 0.00000
548 -0.0385 0.00000
549 0.0120 0.00000
550 -0.1087 0.00000
551 -0.1066 0.00000
552 0.0848 0.00000
553 -0.0321 0.00000
554 -0.0332 0.00000
555 0.0095 0.00000
556 -0.0810 0.00000
557 -0.0635 0.00000
558 0.0642 0.00000
559 0.0550 0.00000
560 -0.1471 0.00000
561 -0.1318 0.00000
562 -0.0972 0.00000
563 0.0852 0.00000
564 -0.1092 0.00000
565 -0.0789 0.00000
566 -0.0602 0.00000
567 -0.0499 0.00000
568 -0.0545 0.00000
569 0.0488 0.00000
570 -0.0349 0.00000
571 0.0005 0.00000
572 -0.0054 0.00000
573 0.0672 0.00000
574 -0.0510 0.00000
575 0.0323 0.00000
576 0.0109 0.00000
577 -0.2289 0.00000
578 0.2734 0.00000
579 0.1619 0.00000
580 -0.0703 0.00000
581 0.1071 0.00000
582 -0.0023 0.00000
583 0.0002 0.00000
584 -0.1399 0.00000
585 0.0138 0.00000
586 -0.0185 0.00000
587 -0.0996 0.00000
588 -0.0438 0.00000
589 -0.0231 0.00000
590 -0.0933 0.00000
591 0.0120 0.00000
592 -0.0503 0.00000
593 -0.0155 0.00000
594 0.0361 0.00000
595 0.0357 0.00000
596 0.1244 0.00000
597 0.1283 0.00000
598 -0.0270 0.00000
599 -0.2080 0.00000
600 0.0071 0.00000
601 0.0650 0.00000
602 0.0527 0.00000
603 0.0495 0.00000
604 0.0254 0.00000
605 -0.1341 0.00000
606 -0.0518 0.00000
607 0.0843 0.00000
608 -0.0555 0.00000
609 -0.0274 0.00000
610 0.0052 0.00000
611 -0.0411 0.00000
612 0.0262 0.00000
613 0.0597 0.00000
614 -0.0133 0.00000
615 -0.0687 0.00000
616 0.0581 0.00000
617 -0.0671 0.00000
618 0.0629 0.00000
619 0.0105 0.00000
620 0.0606 0.00000
621 -0.0746 0.00000
622 0.0017 0.00000
623 0.0758 0.00000
624 -0.0584 0.00000
625 0.0742 0.00000
626 0.0626 0.00000
627 0.1020 0.00000
628 0.0398 0.00000
629 0.0577 0.00000
630 0.0107 0.00000
631 0.0519 0.00000
632 -0.0652 0.00000
633 0.0800 0.00000
634 0.0424 0.00000
635 0.0784 0.00000
636 -0.0374 0.00000
637 -0.0139 0.00000
638 0.1417 0.00000
639 -0.0092 0.00000
640 0.1040 0.00000
641 0.0128 0.00000
642 -0.0255 0.00000
643 0.0754 0.00000
644 0.0395 0.00000
645 0.0809 0.00000
646 -0.0248 0.00000
647 0.0141 0.00000
648 0.0274 0.00000
649 -0.0507 0.00000
650 0.0274 0.00000
651 0.0326 0.00000
652 0.0112 0.00000
653 0.0087 0.00000
654 0.0208 0.00000
655 0.0227 0.00000
656 0.0538 0.00000
657 -0.0465 0.00000
658 0.0368 0.00000
659 0.0238 0.00000
660 -0.0409 0.00000
661 0.0377 0.00000
662 0.0028 0.00000
663 0.0029 0.00000
664 0.0391 0.00000
665 0.0173 0.00000
666 0.0671 0.00000
667 0.0800 0.00000
668 0.0026 0.00000
669 0.0546 0.00000
670 -0.0536 0.00000
671 -0.0026 0.00000
672 0.0223 0.00000
673 -0.0143 0.00000
674 0.0408 0.00000
675 -0.0172 0.00000
676 -0.0424 0.00000
677 0.1205 0.00000
678 -0.0098 0.00000
679 -0.1626 0.00000
680 0.0694 0.00000
681 0.0464 0.00000
682 0.0569 0.00000
683 0.0394 0.00000
684 0.0741 0.00000
685 0.0661 0.00000
686 0.0735 0.00000
687 0.0450 0.00000
688 -0.0898 0.00000
689 0.0383 0.00000
690 0.0476 0.00000
691 -0.0284 0.00000
692 -0.0241 0.00000
693 -0.0019 0.00000
694 0.0339 0.00000
695 0.0097 0.00000
696 0.0778 0.00000
697 -0.0017 0.00000
698 -0.0452 0.00000
699 0.0112 0.00000
700 -0.0076 0.00000
701 0.0153 0.00000
702 0.1033 0.00000
703 -0.0156 0.00000
704 -0.0271 0.00000
705 0.0211 0.00000
706 0.0330 0.00000
707 -0.0176 0.00000
708 0.1417 0.00000
709 0.0343 0.00000
710 -0.0161 0.00000
711 0.0307 0.00000
712 -0.1138 0.00000
713 0.0498 0.00000
714 0.0302 0.00000
715 0.0134 0.00000
716 0.0824 0.00000
717 0.0036 0.00000
718 0.0517 0.00000
719 0.0012 0.00000
720 0.0714 0.00000
721 0.0023 0.00000
722 0.0010 0.00000
723 0.0596 0.00000
724 0.0240 0.00000
725 -0.0185 0.00000
726 -0.0474 0.00000
727 0.0215 0.00000
728 0.0629 0.00000
729 0.0420 0.00000
730 -0.0135 0.00000
731 0.0729 0.00000
732 0.0215 0.00000
733 0.0607 0.00000
734 0.0017 0.00000
735 0.0572 0.00000
736 -0.0121 0.00000
737 0.0770 0.00000
738 0.0077 0.00000
739 -0.0262 0.00000
740 0.0718 0.00000
741 0.0099 0.00000
742 -0.0220 0.00000
743 0.0327 0.00000
744 0.0470 0.00000
745 0.0012 0.00000
746 0.0065 0.00000
747 0.0284 0.00000
748 -0.0091 0.00000
749 -0.0824 0.00000
750 -0.0073 0.00000
751 0.0097 0.00000
752 0.0126 0.00000
753 0.0355 0.00000
754 0.0501 0.00000
755 -0.0010 0.00000
756 0.0118 0.00000
757 0.0203 0.00000
758 -0.0075 0.00000
759 0.0526 0.00000
760 0.0085 0.00000
761 0.0166 0.00000
762 -0.0211 0.00000
763 0.0131 0.00000
764 0.0169 0.00000
765 -0.0283 0.00000
766 -0.0221 0.00000
767 -0.0108 0.00000
768 0.0214 0.00000
769 0.0090 0.00000
770 -0.0586 0.00000
771 0.0223 0.00000
772 0.0025 0.00000
773 0.0212 0.00000
774 0.0152 0.00000
775 0.0018 0.00000
776 -0.0249 0.00000
777 -0.0019 0.00000
778 -0.0087 0.00000
779 0.0276 0.00000
780 -0.0304 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 1 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
-3.79178 -4.15617 1.41629
-4.15649 10.87084 6.91543
1.41629 6.91516 2.57576
POSITION FORCE-CONSTANT FOR ION 1 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -1.223957 -5.159706 -26.998877
4.30302 2.15352 7.05746 0.061282 -0.014619 0.255375
1.30883 4.06731 2.03161 0.015709 2.786466 1.960643
3.96992 4.32885 4.13194 0.604667 0.134251 0.402845
1.29275 3.05683 8.10201 -0.009445 0.043597 0.226540
3.79636 1.47547 14.70421 -0.704715 0.205379 1.736772
1.24643 4.63551 10.86193 0.065754 -0.055065 0.342815
3.89005 4.20092 12.88287 -0.050291 -0.522313 0.333043
1.04482 6.69020 17.44020 -0.027641 0.528995 -0.727282
3.77370 7.04599 6.61024 0.049360 0.085966 0.166086
0.71312 9.21049 2.53845 0.000574 0.046666 0.035195
3.86880 9.70388 4.59023 0.049695 0.022312 0.013672
1.19399 7.29663 8.75952 -0.002255 -0.042942 0.196014
4.14925 6.52609 15.71477 0.001021 -0.256355 -0.255220
1.16791 10.19708 10.50563 0.011763 0.020479 0.062993
3.90202 11.30466 11.97145 0.003926 0.030307 0.032095
1.41963 13.48240 16.88000 -0.019645 -0.161021 -0.573127
3.89470 12.50036 6.39588 0.036452 -0.062717 0.182632
1.24092 15.65995 2.03746 -0.471622 -1.138544 0.536504
3.45676 13.88732 3.60018 0.264812 -0.270005 0.189157
1.37686 12.90671 8.69683 0.004364 0.024991 0.134032
4.20896 12.98001 14.89140 0.107746 0.118204 -0.142798
1.28271 15.54574 11.35729 0.038746 0.087638 0.221539
4.02704 16.14416 13.12883 -0.151859 0.554443 0.390662
8.51844 2.13686 0.32759 -0.001490 -0.023589 -0.092588
10.42520 1.68659 6.72748 -0.011080 -0.007874 0.042089
6.89192 4.41938 2.41726 0.202337 -0.026372 -0.195121
10.22536 4.35381 4.16682 -0.004572 0.001375 0.015987
7.19238 2.15284 8.75827 0.076245 -0.021944 0.153135
10.67141 2.29852 15.08728 0.047455 -0.031569 0.035890
7.24075 4.59797 11.01224 -0.089798 -0.027361 0.184316
10.30176 4.56419 12.61212 -0.025653 -0.054065 0.007624
6.40057 6.85176 0.36515 -0.028511 -0.038147 -0.138958
9.75325 6.62606 6.90745 -0.000475 -0.010093 0.037833
6.24007 9.67823 1.67645 0.031554 -0.014756 -0.066855
6.65558 7.06042 8.79421 0.051866 -0.020755 0.118489
11.80692 6.94639 14.05727 -0.015916 -0.035104 -0.039201
6.39955 9.97659 10.34026 -0.009153 0.003950 0.046707
11.03265 10.16848 13.84914 0.003081 -0.009105 -0.006427
6.77345 12.10505 16.99256 -0.000503 0.002877 -0.088921
10.32223 13.09442 6.99099 0.009686 0.004905 0.039171
10.59365 15.96480 4.77521 0.008584 0.007146 0.011472
6.94250 12.79247 7.88185 0.046346 0.009062 0.067818
10.18654 12.31147 16.08279 0.006602 0.018476 -0.031862
7.13888 17.01345 11.20310 -0.107415 0.013328 0.099344
10.37682 0.23169 12.64835 -0.016974 0.017892 0.022862
13.24904 1.54346 17.14370 0.429351 -0.001486 -0.405474
15.89410 1.64185 6.44545 -0.061921 -0.071299 0.280242
12.98857 4.28042 2.14546 -0.105657 -0.085139 -0.135780
15.96785 4.32998 4.48967 -0.416041 0.197630 0.396568
13.27097 1.52537 8.57426 -0.084937 0.003104 0.198040
16.03461 1.53130 15.21659 1.152048 -0.175892 1.150738
13.37701 3.97590 10.80799 0.041605 -0.031141 0.160741
16.23421 4.17555 13.11475 0.096504 -0.450839 0.278622
13.12188 6.75851 16.83328 -0.028568 0.002774 -0.076092
16.15350 6.82329 6.57280 -0.025463 0.133426 0.190820
13.80451 11.28726 3.11364 -0.056407 0.025001 -0.046755
16.01530 9.31599 4.57229 -0.057960 0.053284 0.017121
16.24774 6.95131 14.97400 -0.083205 -0.153574 -0.205310
13.37358 11.10317 11.33384 0.002372 0.008043 0.023364
16.26481 10.28310 12.82929 -0.003298 0.003258 0.020659
13.02958 12.87265 0.34345 -0.015135 0.028564 -0.071351
15.63587 13.81058 6.90598 -0.039012 -0.074894 0.163762
13.11026 15.86276 1.91698 -0.082177 0.088559 -0.181797
16.04847 15.98249 4.25314 -0.390226 -0.107117 0.230588
12.92950 13.50280 9.01948 -0.039045 0.024461 0.088205
16.03470 13.24150 15.21399 -0.078394 0.158193 -0.136443
13.00717 16.52927 10.76204 0.034693 -0.018682 0.128612
15.92967 15.85673 13.13419 0.056469 0.299259 0.128329
1.86054 17.36365 1.29865 0.492509 -1.197323 4.107011
4.17830 2.73136 5.21241 -0.058511 0.017687 -0.132258
3.26426 5.75851 5.24301 -0.053435 -0.096288 -0.141113
17.49829 1.67854 7.58538 -0.020682 -0.005957 -0.066960
1.16532 17.05709 10.27678 -0.010051 0.012427 -0.035829
3.43296 5.28736 14.40974 -0.011065 0.162761 0.059587
5.78979 4.58179 12.35127 0.070703 0.059957 -0.059680
2.66622 1.96025 16.18884 -1.938981 -1.346254 4.722766
17.32027 0.89679 16.51550 2.866548 0.597536 4.589789
0.46199 8.18893 0.93413 -0.025168 -0.088416 0.090070
5.39231 10.11127 3.40660 -0.019888 -0.003475 0.018213
2.32066 9.80687 3.44943 -0.010827 -0.000475 -0.005195
4.91964 7.92130 14.71679 -0.006255 0.057958 0.054955
2.68710 7.23238 16.69438 -0.039359 -0.014150 0.140249
0.01020 10.88204 2.02154 -0.000244 -0.006325 -0.008380
4.21835 0.28129 6.98759 0.000975 0.008737 -0.036484
17.23783 13.81793 8.03064 -0.023741 0.006087 -0.038287
4.79582 14.66186 14.12172 0.012577 -0.108109 0.009024
1.82404 14.00413 10.26937 0.001417 -0.035837 -0.065640
5.26768 16.92854 11.79676 0.083874 -0.042006 -0.094370
10.96027 2.96124 5.34122 0.006709 0.004254 -0.012522
6.97457 3.04582 1.08259 -0.030920 0.054623 0.066870
10.16898 6.05361 5.08582 0.000045 -0.003770 -0.005760
8.34039 4.05066 3.68939 -0.032629 0.009079 0.022670
8.74489 2.42632 7.55292 0.004668 0.006072 -0.019853
7.18775 0.35634 9.46384 0.018334 0.021746 -0.050220
11.47395 4.04892 11.19556 0.003836 0.014105 -0.023857
9.15080 2.77757 16.12393 -0.016812 0.008618 0.014251
7.98734 0.36277 0.04247 -0.011975 0.001185 0.004549
8.09306 7.37877 7.53063 -0.007914 -0.000926 -0.013830
5.20414 6.37683 7.73407 -0.048361 -0.013177 -0.056473
12.25313 11.32613 12.87115 -0.001499 -0.001084 0.003809
7.88582 9.71337 11.41294 -0.000306 -0.000324 -0.001748
7.90588 7.26091 16.85699 0.006662 0.003074 0.021277
11.07224 14.64349 6.08452 0.001226 0.003397 -0.003159
9.97410 0.03402 5.82220 -0.000492 -0.001847 -0.002704
11.77786 16.49122 3.26041 0.010406 -0.021864 0.037056
6.65717 11.67689 9.40508 -0.002128 0.003001 -0.016407
7.76961 15.24886 11.07941 0.023776 -0.006990 -0.021853
8.52712 0.41686 12.29829 0.017972 -0.009341 -0.014481
13.11181 17.12784 0.26607 -0.035649 -0.049392 0.080088
13.20693 2.50512 1.34897 -0.025578 0.045259 0.095378
17.29335 3.71694 3.19979 0.363828 -0.212721 -0.443118
14.20035 4.69758 3.69278 0.123355 0.003759 0.005769
14.59997 3.56179 12.23787 -0.079899 0.042311 -0.087533
13.57708 5.48481 0.72232 0.026499 -0.001910 0.059944
12.29749 8.18631 0.22048 0.000619 -0.004204 0.015317
16.86596 10.59176 5.62457 0.004772 -0.011491 -0.003109
16.66958 8.43890 13.63905 0.006336 0.021387 0.016503
16.67265 11.67449 14.15979 0.007427 -0.008157 0.020979
14.70756 7.45696 15.98014 0.012541 0.003950 0.035719
16.06899 0.34084 4.92526 0.033515 0.014334 -0.057435
14.63768 15.41566 3.05858 0.091090 -0.004629 0.058856
12.21694 15.07373 9.87203 -0.002996 -0.009902 -0.032934
15.65466 0.14914 13.86557 -0.047879 -0.107863 -0.128304
14.35754 15.71932 11.91759 -0.028697 -0.034120 -0.052300
14.30081 12.83268 16.21967 -0.002012 -0.022224 0.029409
8.77223 10.39607 2.47225 0.002748 0.004867 0.002859
12.91187 8.54216 10.48161 0.000672 -0.001011 0.008120
8.49467 15.82840 2.99445 0.014352 0.003488 0.003877
1.32045 2.68577 1.08043 -0.258513 6.530012 7.688514
5.44581 4.42337 3.31859 -0.307086 -0.016427 0.111857
2.71895 4.15019 2.95898 -0.689623 -0.406858 -0.746648
2.89361 2.63574 7.84048 0.041547 -0.008759 -0.096974
3.72928 2.61904 13.46082 0.125983 0.510215 -0.602470
1.12195 3.42722 9.72736 -0.008825 -0.059007 -0.215156
2.69176 4.49808 11.70258 -0.127533 0.089168 -0.179502
1.13271 5.33613 0.95032 0.095083 -1.449111 0.598932
4.03043 8.42197 5.67301 -0.026816 -0.041600 -0.015937
3.75157 11.03623 5.64253 -0.014811 0.001360 -0.032730
2.52170 7.25791 7.75547 0.051508 -0.019428 -0.107763
17.39856 7.13193 7.68295 -0.051162 -0.020306 -0.095591
1.18188 6.06412 9.94036 -0.010192 0.104539 -0.138737
1.18202 8.73358 9.65531 -0.000377 -0.024537 -0.046232
3.91098 11.84592 13.59643 -0.015727 -0.036778 0.000891
5.12928 10.31683 11.41789 0.016692 -0.009515 -0.018767
2.50977 10.51875 11.46580 -0.022391 -0.014219 -0.019787
17.45087 6.59897 16.12377 0.129486 -0.011363 0.260276
3.55980 13.67281 5.25157 -0.055211 0.091311 -0.168058
1.28803 14.62748 0.64715 0.062901 0.739392 0.648511
4.98905 14.24610 3.11864 -0.104423 0.046776 -0.002848
2.40264 15.06164 3.08512 -0.230424 0.466587 -0.352630
2.72172 12.72875 7.62075 0.050868 -0.008672 -0.094539
1.06333 11.39589 9.35618 -0.006684 -0.004848 -0.034288
3.61212 17.43666 14.11103 0.254834 -0.742107 -0.615158
2.61877 15.69429 12.36150 -0.107052 -0.128731 -0.171142
2.80206 13.36593 15.83914 -0.140912 -0.008576 0.184836
17.47316 13.58140 16.05649 0.164424 -0.034153 0.181825
9.77890 2.08644 1.42003 0.018008 0.017762 0.053579
11.39452 4.37239 2.86549 0.049679 0.025193 0.026346
5.75314 2.47184 7.89843 -0.136540 0.010343 -0.129914
10.58974 3.42804 13.84178 -0.006553 0.028487 -0.013904
7.29963 3.26088 10.01774 0.010801 -0.044904 -0.103202
10.61644 6.04073 13.30213 0.021288 0.037733 0.022386
8.72282 4.57356 11.93667 0.049037 0.011559 -0.012372
6.87268 5.85394 1.60201 -0.011647 -0.021742 0.090843
10.69996 7.99849 7.09252 0.001542 0.001160 -0.007560
5.73707 8.23825 1.01832 -0.020075 0.040075 0.056989
10.63831 11.82289 5.95914 0.001675 -0.008115 -0.009148
12.27791 10.92294 3.59234 0.020275 0.000327 0.009939
7.82470 9.40720 2.06031 -0.014523 -0.008288 0.016107
7.06519 5.95381 10.03323 -0.011020 0.088700 -0.121006
11.49637 8.56646 14.11248 -0.000936 0.017437 0.011957
6.22218 8.54831 9.46647 -0.005070 -0.018052 -0.032547
10.64255 10.88430 15.28736 -0.001417 0.001008 0.017238
5.27533 6.08183 16.89617 0.042442 0.071567 0.123115
6.19392 10.87447 0.49133 -0.017468 -0.021213 0.056786
6.63594 13.50144 0.40946 -0.020594 0.013547 0.048972
9.20318 15.33527 4.12194 -0.013134 -0.004048 0.000131
8.65369 12.87516 7.41323 0.001077 -0.001557 -0.011237
5.50203 12.61795 6.94111 -0.078116 0.000113 -0.059836
10.10713 13.64215 15.27789 -0.000727 -0.020279 0.022037
10.67911 0.87544 14.08625 -0.004654 0.001454 -0.001205
11.60356 17.20368 11.75834 0.018128 -0.015047 -0.031728
8.39118 11.91622 16.60701 -0.027127 -0.002333 0.027569
5.50451 12.34914 15.80657 0.032348 -0.039326 0.077268
15.73327 3.04046 5.55542 0.111474 0.109668 -0.220189
16.46394 5.60663 5.46979 0.057441 -0.200308 -0.215519
14.52808 1.45286 7.47168 0.143385 0.016073 -0.159775
11.79275 1.56088 7.78873 0.001910 0.003496 -0.039792
13.32704 0.21681 9.64565 -0.001207 0.048571 -0.086206
16.41790 2.90736 14.26355 -0.210270 0.432250 -0.471562
13.45171 2.82808 9.57211 -0.000108 -0.055322 -0.113589
16.10069 5.57752 13.99343 -0.012729 0.246794 0.102597
0.00005 4.40711 11.99025 0.041334 0.077422 -0.140285
14.62884 1.73967 16.17160 -0.835596 0.151073 0.249409
11.98368 2.03831 16.06725 -0.118322 0.021317 0.019763
15.63239 8.11986 5.68103 0.017861 -0.041580 -0.015980
17.11138 8.55854 3.60414 0.028305 -0.033435 -0.020782
14.79559 9.98222 3.60061 0.044863 -0.030682 0.023412
14.83832 6.40254 7.47085 0.049744 -0.009319 -0.064772
10.26118 5.42988 7.96507 -0.004165 0.011972 -0.020166
13.84142 5.42996 10.14226 0.003331 0.042930 -0.053527
12.90067 9.94534 10.26834 0.000813 0.000885 -0.005946
17.40760 10.25314 11.57387 0.009107 -0.003968 -0.017582
14.84553 10.65634 12.01294 -0.000431 -0.002991 -0.002439
12.09160 6.31793 15.56215 0.024547 0.013844 0.059070
13.66330 11.76838 1.50243 0.028272 -0.032243 0.067901
15.90808 14.97969 5.66759 0.066057 0.132425 -0.160589
12.90234 14.38066 1.10662 0.019757 -0.019268 0.059676
17.39979 15.79595 3.12260 0.489220 0.161776 -0.423564
14.24465 13.87010 7.98683 0.064549 0.003351 -0.072611
11.50975 12.98027 8.22780 -0.013929 -0.010000 -0.031131
13.37751 12.44417 10.26044 0.000174 -0.002534 -0.023539
15.76289 14.59733 14.23402 -0.007592 -0.200182 0.076974
17.35248 15.55367 12.27553 0.034543 -0.072463 -0.097591
11.51892 12.39014 17.28946 0.015000 -0.003593 0.030280
2.14782 0.44560 2.19550 0.793307 -0.973112 1.239119
3.29477 2.11300 4.94555 -0.009058 -0.027539 0.032999
2.45654 5.15830 5.71352 -0.010087 0.001827 0.023669
17.13665 1.28635 8.55333 0.003169 0.005290 -0.001865
2.05496 17.16622 9.63831 0.007655 -0.001421 0.004693
2.76007 4.61458 14.97268 0.055070 -0.077430 -0.001874
5.82104 5.64963 12.65472 0.018792 0.007239 -0.002430
1.99867 2.73895 15.76239 -0.540854 -0.824261 0.791584
16.62702 0.41219 17.23014 -1.126061 -0.593128 -0.504515
0.53299 8.97932 0.15968 0.019804 -0.047398 -0.004877
6.28070 9.99466 4.05905 -0.003155 0.001784 0.005088
2.80484 10.34140 2.60493 0.003206 -0.007117 -0.000303
5.85876 7.59725 14.24081 -0.008915 -0.012259 0.011507
2.33378 8.07412 16.06384 -0.024842 -0.016509 0.017840
0.72196 11.42800 1.39191 0.000568 -0.004381 0.000039
4.17641 17.36384 8.00554 -0.001069 0.017223 -0.006439
0.17664 14.81238 7.80592 0.001990 0.001143 0.014359
5.28314 15.15948 14.98492 -0.015384 0.016294 -0.010369
1.99589 13.21868 11.02572 -0.002480 0.002237 0.000527
4.90269 16.46159 10.85427 0.009950 -0.004396 -0.023556
11.44760 2.27402 4.62061 -0.002070 -0.000893 -0.000712
6.42001 2.18281 1.50214 0.003958 -0.009472 -0.009754
11.20298 6.44871 5.00937 -0.000960 0.002690 0.003602
8.23943 2.94593 3.71752 0.002992 0.000886 -0.000567
9.07830 3.43667 7.86385 -0.000230 -0.000561 0.004786
8.13841 17.45818 9.05432 0.001899 0.004432 -0.007383
11.09062 4.59939 10.31069 -0.008972 -0.000512 0.005880
8.29143 2.75175 15.42638 -0.009143 -0.003635 0.015271
8.82941 17.22992 17.22214 0.005624 0.004207 0.009622
7.50840 7.62286 6.62087 0.003493 0.004891 -0.000720
4.60511 5.74329 8.41778 0.002446 0.002973 0.009925
12.92668 11.75537 13.63632 0.000750 0.001758 0.001493
8.02117 10.55523 12.10517 -0.001135 0.001239 0.002307
8.67556 7.71636 17.49570 0.004836 0.001765 0.001507
11.47875 15.24589 6.91703 -0.002753 -0.001497 0.006034
9.35972 16.97903 6.56192 0.002411 0.003723 0.007051
11.03713 17.07922 2.67792 0.010877 -0.004398 -0.004414
7.42775 12.08916 10.09180 -0.001290 0.001357 -0.000362
7.92017 14.83580 12.09082 -0.003904 0.007065 0.002847
8.50905 1.48718 11.99359 -0.001435 -0.000231 0.009352
13.83892 16.58967 17.12637 0.016769 0.042286 0.018319
14.18064 2.16404 1.76300 -0.004099 -0.015755 -0.005478
0.22637 2.85420 3.74771 -0.002626 -0.026546 0.074242
13.55731 4.46328 4.56374 0.033611 -0.012032 0.010372
13.93368 3.48067 13.12140 0.010168 -0.002466 0.001039
14.29477 4.78199 0.25086 -0.011303 -0.010372 -0.010936
12.05112 9.01860 17.04503 0.001274 -0.002279 0.002130
16.27694 10.80430 6.52497 0.001540 -0.000230 0.002122
16.72250 7.84092 12.70809 -0.001663 -0.008170 0.016158
0.08131 12.14367 13.72814 -0.002615 0.004901 0.003418
15.18747 8.06134 16.77823 -0.006978 0.012638 0.006529
15.33129 0.80027 4.23469 -0.015945 -0.015438 -0.003757
15.22283 14.74953 2.39790 -0.009761 -0.006122 -0.008474
11.52991 14.60593 10.60396 0.002182 0.002407 0.002732
14.54913 0.08259 13.94141 -0.019862 -0.004809 -0.003420
13.64918 15.17179 12.57877 -0.007081 0.002223 0.000894
14.26990 11.73639 16.04700 -0.005830 -0.003714 0.004055
2.83011 17.00291 0.89614 -0.327894 0.484855 -0.339669
5.01762 2.19884 4.72481 0.005693 0.009638 0.001633
2.72197 6.40768 4.52960 -0.008898 0.020671 0.007184
0.61592 0.85326 7.17988 0.002386 -0.009630 0.014927
1.05804 0.47662 10.87149 0.005508 -0.015541 0.019500
2.72869 6.02833 13.97220 -0.002405 0.035199 -0.014431
6.27365 4.07474 13.21275 -0.020421 -0.011776 -0.007339
3.39789 2.54642 16.78232 0.703630 0.555295 -0.483979
0.26647 0.03376 15.97352 0.721159 0.722030 0.668993
16.86896 8.04953 1.06168 -0.004382 0.011993 0.002663
5.26691 11.21282 3.35522 0.003488 -0.001022 0.005983
1.79651 10.63408 3.97172 -0.006480 -0.005762 0.008150
4.24367 8.25477 13.91418 -0.000612 -0.006817 0.006926
3.20146 7.72932 0.04071 -0.000176 0.020016 0.010217
17.29565 11.52683 2.88643 -0.002463 -0.007934 0.008211
5.09458 17.34903 6.48077 0.004201 -0.001674 0.007896
16.80060 13.95067 9.04167 0.003164 -0.000666 -0.002940
5.65314 14.35380 13.49055 0.007173 -0.024178 0.015285
2.85103 14.37043 10.06567 -0.002786 -0.001231 0.007201
4.88020 0.46410 11.72901 -0.003306 -0.008420 0.041929
11.82432 3.49932 5.78478 -0.002280 0.003155 0.009652
6.33916 3.40343 0.25044 -0.003901 -0.022794 -0.000115
9.59394 6.71839 4.41200 0.002301 0.000958 0.001852
7.91802 4.38505 4.66043 0.009927 -0.000240 0.016216
8.23543 2.62518 6.58554 0.004462 0.004193 -0.003847
6.41431 17.32071 8.88054 0.001500 -0.005270 0.010556
11.14557 3.00954 10.98712 -0.000790 0.001058 0.008104
9.36027 3.86210 16.23230 0.001643 0.001393 0.002503
7.53966 17.41529 0.94072 0.003478 -0.004782 0.011439
8.48774 8.36338 7.84778 -0.001477 -0.000820 0.005208
5.72768 5.64505 7.08615 0.007268 -0.002670 0.005907
11.53162 12.14308 12.66419 0.001195 0.001416 0.004187
7.77778 8.79967 12.01567 -0.001600 0.000045 0.002108
7.67148 7.97660 16.05599 -0.003649 -0.002329 0.005619
11.96712 14.11387 5.69832 -0.000667 -0.000812 0.003129
9.20674 0.45352 5.13285 0.000632 0.000824 0.001492
12.42086 17.27854 3.71166 -0.003541 0.005959 0.005364
5.72984 12.20671 9.71226 0.000149 0.001488 0.005903
7.06651 14.59485 10.54611 -0.003034 0.001586 0.008029
8.18003 0.43236 13.34917 -0.012844 0.001817 -0.001017
12.13433 16.79403 17.35819 -0.011928 -0.006076 0.022213
12.47800 1.85419 1.86970 0.003045 0.012053 0.024775
16.61133 3.22326 2.47663 -0.124516 -0.008905 0.017257
14.18380 5.80672 3.64923 0.012182 -0.005222 0.010069
14.87276 2.50739 12.03337 0.011293 0.008314 0.019688
14.23243 6.19147 1.27631 -0.000085 0.014960 0.003339
12.93327 8.58137 1.02753 0.000215 0.003619 0.005931
0.31818 10.15222 5.96061 0.000754 0.002846 0.008431
0.23893 8.66414 13.84372 0.003025 0.001951 -0.002210
17.08408 11.06555 14.99139 0.004229 -0.010172 -0.000046
14.24371 8.22849 15.33189 0.000841 -0.002182 0.006457
17.03243 0.72423 4.52831 0.020161 0.013039 0.025609
14.06257 14.70897 3.69175 0.024648 0.006192 0.016549
11.55248 15.52990 9.11606 -0.007801 -0.004183 0.002115
15.79992 0.71375 12.92180 0.000748 -0.004118 -0.021256
14.66771 14.92743 11.20480 -0.012066 -0.009136 -0.005427
13.59723 13.22883 15.45681 0.007959 0.006559 0.008381
0.28893 16.96969 9.61776 -0.008772 -0.003595 -0.000123
5.14861 8.79609 15.34428 0.011477 0.019192 -0.007471
16.57887 10.76457 1.44815 -0.000312 0.005558 0.004003
3.32280 17.43531 6.45000 -0.009456 -0.008472 0.009644
7.22345 0.33037 16.74849 -0.002257 0.016463 0.005030
8.80270 9.61454 10.81195 0.001781 0.000162 0.004524
8.32656 6.35754 16.39008 -0.005481 0.001142 0.005191
8.73549 15.20213 10.55252 0.006749 -0.007230 0.003659
11.35757 7.84337 0.68199 -0.001204 0.000992 0.003254
17.07689 11.54135 5.11708 -0.002265 -0.000603 0.004775
1.05898 4.30352 7.32607 0.000341 0.000480 -0.027300
4.03509 12.56543 11.20951 -0.000541 -0.005039 0.002482
2.98241 12.61908 2.99845 -0.026728 0.039366 -0.005903
13.02951 6.77394 13.23542 0.000594 0.005092 0.009396
9.81405 10.04557 13.02717 -0.000312 0.001061 0.004780
14.38062 12.44509 3.83928 0.007552 -0.000676 0.009181
15.29130 12.60070 6.14349 0.001750 0.008975 -0.013603
1.51212 12.17674 0.04632 0.001992 0.047027 0.064071
5.20365 1.54821 15.21091 0.303480 -0.074243 -0.196763
6.79297 14.20253 8.32851 -0.002840 -0.003136 -0.007543
11.61515 7.96197 6.76612 -0.002692 0.001006 0.008749
10.25461 10.96603 6.21744 0.000199 0.001728 0.006799
11.90891 11.26603 4.43245 -0.006324 0.001731 0.010193
8.53540 10.78259 3.48001 0.001369 -0.000005 0.006303
9.76681 9.93079 2.50215 -0.000849 0.000219 0.003404
8.80784 11.23977 1.76494 0.000712 -0.001298 0.002446
14.97448 6.01037 8.35394 -0.009633 -0.008162 0.033502
10.93413 4.83383 7.59381 -0.000645 -0.001668 0.012322
13.14865 5.92816 9.67432 -0.005213 -0.002302 0.012351
12.65000 8.06887 9.52187 -0.001530 -0.001320 0.004063
13.90414 8.18239 10.79823 -0.001067 -0.001010 0.004875
12.16474 8.24325 11.23577 0.001961 -0.000990 0.001764
5.27827 14.04824 2.20496 0.040569 -0.018580 -0.025642
10.20084 2.92381 1.69633 -0.005323 -0.013979 -0.013584
7.46833 14.00510 0.41146 0.001950 0.004146 -0.005381
7.48179 15.39929 3.01468 0.002340 -0.002932 0.002548
8.41010 16.93048 3.00754 0.001772 -0.000543 0.000110
8.99741 15.53505 2.05618 -0.005865 0.004124 0.005560
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 1 DIRECTION 3 : -0.124 0.135 2.939
rigid augmentation : 0.000 0.000 0.204
ionic contribution : 0.000 0.000 4.000
Berry contribution : -0.124 0.135 -1.265
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 4/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 7( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258705; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258744; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01035526
-V(xc)+E(xc) XCENC = 0.01895482
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.04403283
---------------------------------------------------
free energy TOTEN = -0.03543327 eV
energy without entropy = -0.03543327
----------------------------------------- Iteration 7( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258705; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258744; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11128E+01 rms(broyden)= 0.11120E+01
rms(prec ) = 0.11838E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01035526
-V(xc)+E(xc) XCENC = 0.01895482
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01424374
---------------------------------------------------
free energy TOTEN = -0.00564418 eV
energy without entropy = -0.00564418
----------------------------------------- Iteration 7( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258643; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258779; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.67097E+00 rms(broyden)= 0.67090E+00
rms(prec ) = 0.71943E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4305
2.4305
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00972146
-V(xc)+E(xc) XCENC = 0.01675675
PAW double counting = 0.01627590 -0.01627815
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01394738
---------------------------------------------------
free energy TOTEN = -0.00691434 eV
energy without entropy = -0.00691434
----------------------------------------- Iteration 7( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258519; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259064; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10243E+00 rms(broyden)= 0.10229E+00
rms(prec ) = 0.13390E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8938
1.3744 2.4132
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00919673
-V(xc)+E(xc) XCENC = 0.01571365
PAW double counting = 0.09858981 -0.09860223
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01399585
---------------------------------------------------
free energy TOTEN = -0.00749134 eV
energy without entropy = -0.00749134
----------------------------------------- Iteration 7( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258497; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259086; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.60936E-01 rms(broyden)= 0.60912E-01
rms(prec ) = 0.81054E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7003
2.4830 1.9136 0.7044
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00890410
-V(xc)+E(xc) XCENC = 0.01539707
PAW double counting = 0.10134695 -0.10135835
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01425547
---------------------------------------------------
free energy TOTEN = -0.00777390 eV
energy without entropy = -0.00777390
----------------------------------------- Iteration 7( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258477; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259106; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28734E-01 rms(broyden)= 0.28723E-01
rms(prec ) = 0.42724E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7043
2.6675 2.2476 1.0566 0.8455
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00880546
-V(xc)+E(xc) XCENC = 0.01532744
PAW double counting = 0.10297233 -0.10298396
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01434127
---------------------------------------------------
free energy TOTEN = -0.00783093 eV
energy without entropy = -0.00783093
----------------------------------------- Iteration 7( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258461; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259122; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.14838E-01 rms(broyden)= 0.14827E-01
rms(prec ) = 0.23116E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9006
3.4096 2.4703 1.7984 0.9124 0.9124
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00878596
-V(xc)+E(xc) XCENC = 0.01538807
PAW double counting = 0.10283121 -0.10284286
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01436633
---------------------------------------------------
free energy TOTEN = -0.00777587 eV
energy without entropy = -0.00777587
----------------------------------------- Iteration 7( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258445; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259138; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.51072E-02 rms(broyden)= 0.50950E-02
rms(prec ) = 0.78192E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8832
3.6563 2.4100 2.0339 1.3573 0.9209 0.9209
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00878188
-V(xc)+E(xc) XCENC = 0.01548347
PAW double counting = 0.10204219 -0.10205373
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01438289
---------------------------------------------------
free energy TOTEN = -0.00769285 eV
energy without entropy = -0.00769285
----------------------------------------- Iteration 7( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258440; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259143; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.26672E-02 rms(broyden)= 0.26618E-02
rms(prec ) = 0.38828E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9709
4.3271 2.4866 2.4866 1.7055 0.8965 0.8965 0.9974
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00877977
-V(xc)+E(xc) XCENC = 0.01549206
PAW double counting = 0.10218038 -0.10219197
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01438695
---------------------------------------------------
free energy TOTEN = -0.00768625 eV
energy without entropy = -0.00768625
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0074 0.00000
4 -0.1900 0.00000
5 0.2368 0.00000
6 0.1258 0.00000
7 -0.0655 0.00000
8 0.0141 0.00000
9 0.4590 0.00000
10 0.2220 0.00000
11 -0.2001 0.00000
12 0.0632 0.00000
13 -0.0354 0.00000
14 -0.1463 0.00000
15 -1.0970 0.00000
16 0.0402 0.00000
17 0.0268 0.00000
18 0.1480 0.00000
19 0.0013 0.00000
20 -0.0421 0.00000
21 -0.1617 0.00000
22 0.2738 0.00000
23 0.0848 0.00000
24 0.0351 0.00000
25 0.8100 0.00000
26 0.1759 0.00000
27 0.2090 0.00000
28 0.2542 0.00000
29 -0.0268 0.00000
30 0.0266 0.00000
31 0.3706 0.00000
32 0.6457 0.00000
33 0.0535 0.00000
34 0.0816 0.00000
35 0.0276 0.00000
36 -0.4532 0.00000
37 0.4266 0.00000
38 0.0676 0.00000
39 -0.0229 0.00000
40 -0.0191 0.00000
41 -0.2307 0.00000
42 -0.0524 0.00000
43 0.1208 0.00000
44 -0.0703 0.00000
45 -0.6322 0.00000
46 -0.0145 0.00000
47 -0.0581 0.00000
48 0.2345 0.00000
49 -0.0042 0.00000
50 0.1492 0.00000
51 0.1586 0.00000
52 0.1075 0.00000
53 -0.0007 0.00000
54 0.0307 0.00000
55 0.0530 0.00000
56 0.0771 0.00000
57 -0.0916 0.00000
58 0.1977 0.00000
59 -0.5030 0.00000
60 0.0996 0.00000
61 -0.4808 0.00000
62 -0.0309 0.00000
63 0.0706 0.00000
64 0.1722 0.00000
65 0.1618 0.00000
66 0.0143 0.00000
67 0.0898 0.00000
68 -0.0156 0.00000
69 0.0345 0.00000
70 0.0407 0.00000
71 0.2143 0.00000
72 0.0569 0.00000
73 0.0316 0.00000
74 -0.0020 0.00000
75 0.0058 0.00000
76 0.0306 0.00000
77 0.0186 0.00000
78 0.0515 0.00000
79 0.0517 0.00000
80 -0.0255 0.00000
81 0.0618 0.00000
82 0.1166 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3700 0.00000
89 -0.0529 0.00000
90 -0.3799 0.00000
91 -0.1167 0.00000
92 -0.4124 0.00000
93 0.0034 0.00000
94 0.0156 0.00000
95 0.0049 0.00000
96 -0.0070 0.00000
97 -0.0976 0.00000
98 0.1055 0.00000
99 0.1363 0.00000
100 0.0152 0.00000
101 0.1139 0.00000
102 0.3055 0.00000
103 -0.0256 0.00000
104 0.0829 0.00000
105 -0.2252 0.00000
106 -0.0780 0.00000
107 -0.0108 0.00000
108 0.0901 0.00000
109 -0.0520 0.00000
110 0.0833 0.00000
111 0.0471 0.00000
112 0.1429 0.00000
113 0.0363 0.00000
114 -0.1218 0.00000
115 -0.0881 0.00000
116 -0.2580 0.00000
117 -0.0187 0.00000
118 0.0153 0.00000
119 0.0430 0.00000
120 0.0954 0.00000
121 0.3026 0.00000
122 -0.0844 0.00000
123 0.0565 0.00000
124 0.1202 0.00000
125 -0.1777 0.00000
126 -0.0509 0.00000
127 -0.0288 0.00000
128 -0.0941 0.00000
129 0.0106 0.00000
130 -0.0342 0.00000
131 0.1570 0.00000
132 -0.0369 0.00000
133 -0.0567 0.00000
134 -0.4762 0.00000
135 -0.0109 0.00000
136 -0.0307 0.00000
137 -0.0217 0.00000
138 0.0585 0.00000
139 -0.0872 0.00000
140 -0.0030 0.00000
141 -0.1357 0.00000
142 0.0165 0.00000
143 -0.0157 0.00000
144 0.0167 0.00000
145 0.0224 0.00000
146 0.0146 0.00000
147 0.0058 0.00000
148 0.0062 0.00000
149 0.1998 0.00000
150 0.0019 0.00000
151 0.1925 0.00000
152 -0.1696 0.00000
153 0.0588 0.00000
154 0.0948 0.00000
155 0.1459 0.00000
156 -0.3464 0.00000
157 -0.0124 0.00000
158 0.0936 0.00000
159 0.2022 0.00000
160 -0.0052 0.00000
161 -0.1764 0.00000
162 0.2495 0.00000
163 0.0396 0.00000
164 0.5145 0.00000
165 0.3174 0.00000
166 -0.0566 0.00000
167 -0.0420 0.00000
168 -0.0532 0.00000
169 0.0527 0.00000
170 -0.2856 0.00000
171 0.3156 0.00000
172 -0.0029 0.00000
173 -0.0444 0.00000
174 0.0185 0.00000
175 -0.0259 0.00000
176 0.0723 0.00000
177 0.3740 0.00000
178 -0.1517 0.00000
179 0.1093 0.00000
180 0.1221 0.00000
181 0.0513 0.00000
182 -0.1894 0.00000
183 0.0002 0.00000
184 0.0080 0.00000
185 -0.1386 0.00000
186 -0.2475 0.00000
187 -0.1225 0.00000
188 0.0967 0.00000
189 0.0811 0.00000
190 -0.3010 0.00000
191 -0.0077 0.00000
192 -0.1599 0.00000
193 0.0168 0.00000
194 0.0502 0.00000
195 0.0774 0.00000
196 0.1158 0.00000
197 0.0288 0.00000
198 -0.1112 0.00000
199 -0.1146 0.00000
200 -0.0349 0.00000
201 -0.0757 0.00000
202 0.0147 0.00000
203 0.0626 0.00000
204 -0.0750 0.00000
205 -0.0725 0.00000
206 -0.0588 0.00000
207 0.0091 0.00000
208 0.0565 0.00000
209 0.0373 0.00000
210 0.0454 0.00000
211 -0.2724 0.00000
212 0.1057 0.00000
213 0.0341 0.00000
214 0.0879 0.00000
215 0.0371 0.00000
216 0.0070 0.00000
217 0.0676 0.00000
218 0.1775 0.00000
219 0.0219 0.00000
220 0.2016 0.00000
221 0.0853 0.00000
222 -0.0136 0.00000
223 -0.0210 0.00000
224 0.0631 0.00000
225 0.0786 0.00000
226 0.0575 0.00000
227 -0.0100 0.00000
228 -0.0065 0.00000
229 0.1029 0.00000
230 0.0471 0.00000
231 -0.3176 0.00000
232 -0.0151 0.00000
233 -0.0240 0.00000
234 -0.0734 0.00000
235 -0.1403 0.00000
236 -0.2264 0.00000
237 -0.1496 0.00000
238 -0.0902 0.00000
239 -0.0505 0.00000
240 -0.0700 0.00000
241 -0.1789 0.00000
242 -0.1512 0.00000
243 0.1953 0.00000
244 0.0721 0.00000
245 0.0651 0.00000
246 0.0753 0.00000
247 0.3601 0.00000
248 0.3528 0.00000
249 0.0623 0.00000
250 0.0396 0.00000
251 -0.0397 0.00000
252 -0.0251 0.00000
253 -0.0297 0.00000
254 0.0033 0.00000
255 -0.0348 0.00000
256 -0.0658 0.00000
257 -0.0038 0.00000
258 0.2471 0.00000
259 0.0221 0.00000
260 -0.0180 0.00000
261 0.0094 0.00000
262 0.0216 0.00000
263 -0.0165 0.00000
264 -0.0091 0.00000
265 -0.0563 0.00000
266 -0.1746 0.00000
267 -0.0458 0.00000
268 -0.0437 0.00000
269 -0.0498 0.00000
270 -0.0795 0.00000
271 -0.1835 0.00000
272 -0.0785 0.00000
273 0.1033 0.00000
274 -0.2004 0.00000
275 0.3630 0.00000
276 -0.0715 0.00000
277 -0.0340 0.00000
278 -0.0550 0.00000
279 0.0575 0.00000
280 -0.0065 0.00000
281 -0.0406 0.00000
282 -0.0377 0.00000
283 -0.0196 0.00000
284 -0.0145 0.00000
285 0.0692 0.00000
286 -0.0485 0.00000
287 -0.0190 0.00000
288 -0.0513 0.00000
289 0.0797 0.00000
290 -0.0533 0.00000
291 -0.1623 0.00000
292 0.1627 0.00000
293 -0.0147 0.00000
294 -0.0728 0.00000
295 0.0660 0.00000
296 0.0867 0.00000
297 0.0101 0.00000
298 -0.0535 0.00000
299 -0.0289 0.00000
300 0.0108 0.00000
301 -0.0460 0.00000
302 -0.0086 0.00000
303 -0.0280 0.00000
304 0.0093 0.00000
305 0.0442 0.00000
306 -0.0445 0.00000
307 -0.0212 0.00000
308 0.0178 0.00000
309 0.0563 0.00000
310 0.0680 0.00000
311 -0.1144 0.00000
312 0.0236 0.00000
313 0.0042 0.00000
314 -0.0122 0.00000
315 -0.1854 0.00000
316 0.1905 0.00000
317 -0.1966 0.00000
318 0.1020 0.00000
319 0.0349 0.00000
320 -0.1118 0.00000
321 -0.0120 0.00000
322 0.0269 0.00000
323 -0.0434 0.00000
324 0.0153 0.00000
325 0.0020 0.00000
326 -0.0166 0.00000
327 -0.0380 0.00000
328 0.0935 0.00000
329 -0.0276 0.00000
330 -0.0112 0.00000
331 -0.0018 0.00000
332 0.0113 0.00000
333 -0.0054 0.00000
334 0.0130 0.00000
335 -0.0183 0.00000
336 0.0693 0.00000
337 0.0274 0.00000
338 -0.0131 0.00000
339 0.1354 0.00000
340 -0.0163 0.00000
341 -0.0940 0.00000
342 0.0378 0.00000
343 0.0635 0.00000
344 0.0055 0.00000
345 0.0252 0.00000
346 0.0429 0.00000
347 0.0264 0.00000
348 -0.0003 0.00000
349 -0.0095 0.00000
350 -0.0628 0.00000
351 0.0340 0.00000
352 -0.0164 0.00000
353 -0.0068 0.00000
354 0.0088 0.00000
355 0.0022 0.00000
356 0.0554 0.00000
357 0.0236 0.00000
358 -0.0098 0.00000
359 0.0131 0.00000
360 -0.0319 0.00000
361 -0.0062 0.00000
362 0.0209 0.00000
363 -0.0566 0.00000
364 0.1116 0.00000
365 0.0061 0.00000
366 -0.0212 0.00000
367 0.0658 0.00000
368 0.0695 0.00000
369 0.0750 0.00000
370 -0.0472 0.00000
371 0.0201 0.00000
372 0.0347 0.00000
373 0.1209 0.00000
374 0.0211 0.00000
375 0.0357 0.00000
376 0.1619 0.00000
377 -0.0758 0.00000
378 0.0757 0.00000
379 -0.0035 0.00000
380 -0.0091 0.00000
381 0.0308 0.00000
382 -0.0134 0.00000
383 0.1171 0.00000
384 0.1071 0.00000
385 0.0982 0.00000
386 0.0786 0.00000
387 0.0244 0.00000
388 0.0036 0.00000
389 0.0442 0.00000
390 0.0581 0.00000
391 0.1162 0.00000
392 0.0461 0.00000
393 -0.0804 0.00000
394 0.0369 0.00000
395 0.1160 0.00000
396 -0.0065 0.00000
397 -0.0199 0.00000
398 -0.0120 0.00000
399 0.0129 0.00000
400 -0.0258 0.00000
401 -0.1752 0.00000
402 0.0133 0.00000
403 0.0570 0.00000
404 0.0387 0.00000
405 -0.0033 0.00000
406 0.0897 0.00000
407 -0.0298 0.00000
408 0.0640 0.00000
409 0.0128 0.00000
410 0.0730 0.00000
411 0.0038 0.00000
412 -0.0032 0.00000
413 0.0689 0.00000
414 0.0882 0.00000
415 -0.0026 0.00000
416 0.0797 0.00000
417 0.0587 0.00000
418 0.0632 0.00000
419 -0.0397 0.00000
420 -0.0136 0.00000
421 -0.0035 0.00000
422 -0.0047 0.00000
423 0.0179 0.00000
424 -0.0309 0.00000
425 -0.0500 0.00000
426 -0.0572 0.00000
427 -0.0039 0.00000
428 0.0122 0.00000
429 0.0091 0.00000
430 0.0353 0.00000
431 0.0418 0.00000
432 0.0322 0.00000
433 0.0312 0.00000
434 0.0306 0.00000
435 -0.0075 0.00000
436 -0.1056 0.00000
437 -0.1286 0.00000
438 -0.0255 0.00000
439 -0.0558 0.00000
440 0.0491 0.00000
441 0.0632 0.00000
442 0.0340 0.00000
443 0.1665 0.00000
444 -0.0416 0.00000
445 -0.1347 0.00000
446 0.0795 0.00000
447 -0.0146 0.00000
448 0.0395 0.00000
449 -0.0363 0.00000
450 0.1309 0.00000
451 0.0713 0.00000
452 0.0895 0.00000
453 -0.0091 0.00000
454 0.0530 0.00000
455 0.1218 0.00000
456 0.0018 0.00000
457 0.0310 0.00000
458 -0.0673 0.00000
459 -0.0536 0.00000
460 -0.0580 0.00000
461 0.0643 0.00000
462 0.0231 0.00000
463 -0.2396 0.00000
464 -0.0312 0.00000
465 -0.0301 0.00000
466 -0.0098 0.00000
467 -0.0159 0.00000
468 -0.0294 0.00000
469 -0.0230 0.00000
470 -0.1522 0.00000
471 0.0029 0.00000
472 0.0277 0.00000
473 -0.1047 0.00000
474 0.4110 0.00000
475 -0.0645 0.00000
476 -0.0361 0.00000
477 -0.1047 0.00000
478 -0.1387 0.00000
479 0.0141 0.00000
480 0.0710 0.00000
481 0.0734 0.00000
482 0.1418 0.00000
483 -0.0558 0.00000
484 0.0172 0.00000
485 0.0685 0.00000
486 0.0448 0.00000
487 0.3129 0.00000
488 -0.0019 0.00000
489 0.0102 0.00000
490 -0.0726 0.00000
491 0.0572 0.00000
492 -0.1954 0.00000
493 -0.0023 0.00000
494 -0.1343 0.00000
495 -0.0607 0.00000
496 -0.0033 0.00000
497 -0.0322 0.00000
498 0.0368 0.00000
499 -0.0664 0.00000
500 0.0136 0.00000
501 -0.0602 0.00000
502 -0.0433 0.00000
503 -0.0276 0.00000
504 -0.0212 0.00000
505 0.0720 0.00000
506 0.0543 0.00000
507 -0.0372 0.00000
508 0.0276 0.00000
509 0.0855 0.00000
510 0.0211 0.00000
511 0.0044 0.00000
512 -0.1654 0.00000
513 0.0436 0.00000
514 0.0518 0.00000
515 -0.0844 0.00000
516 -0.0242 0.00000
517 -0.0029 0.00000
518 0.0002 0.00000
519 -0.0136 0.00000
520 -0.0014 0.00000
521 0.0195 0.00000
522 -0.0515 0.00000
523 0.1167 0.00000
524 -0.0234 0.00000
525 -0.0272 0.00000
526 0.0112 0.00000
527 0.0914 0.00000
528 0.0556 0.00000
529 0.0549 0.00000
530 -0.0014 0.00000
531 0.0081 0.00000
532 0.0528 0.00000
533 0.0094 0.00000
534 -0.0060 0.00000
535 -0.0571 0.00000
536 0.0207 0.00000
537 0.1759 0.00000
538 0.0336 0.00000
539 0.0560 0.00000
540 0.0202 0.00000
541 0.0055 0.00000
542 0.0893 0.00000
543 0.0416 0.00000
544 0.0456 0.00000
545 -0.0112 0.00000
546 -0.0115 0.00000
547 0.0921 0.00000
548 -0.0339 0.00000
549 -0.0680 0.00000
550 -0.0725 0.00000
551 0.0437 0.00000
552 0.0569 0.00000
553 0.0740 0.00000
554 0.0901 0.00000
555 -0.0088 0.00000
556 -0.0680 0.00000
557 0.0405 0.00000
558 0.0092 0.00000
559 0.0048 0.00000
560 0.1914 0.00000
561 -0.0124 0.00000
562 -0.0501 0.00000
563 0.0464 0.00000
564 0.0822 0.00000
565 0.0517 0.00000
566 0.0274 0.00000
567 -0.2737 0.00000
568 -0.0066 0.00000
569 0.0122 0.00000
570 0.0593 0.00000
571 -0.0889 0.00000
572 -0.0053 0.00000
573 0.0323 0.00000
574 0.0233 0.00000
575 0.0211 0.00000
576 0.0447 0.00000
577 0.0819 0.00000
578 0.0308 0.00000
579 0.0003 0.00000
580 0.1188 0.00000
581 0.0442 0.00000
582 -0.0049 0.00000
583 0.0359 0.00000
584 0.0670 0.00000
585 0.0440 0.00000
586 0.0159 0.00000
587 0.0669 0.00000
588 0.0304 0.00000
589 -0.2058 0.00000
590 0.0077 0.00000
591 -0.0232 0.00000
592 -0.0140 0.00000
593 -0.0348 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1950 0.00000
597 -0.2035 0.00000
598 -0.0214 0.00000
599 0.0141 0.00000
600 0.0234 0.00000
601 0.0530 0.00000
602 0.0175 0.00000
603 -0.0634 0.00000
604 0.0225 0.00000
605 0.0697 0.00000
606 -0.1189 0.00000
607 -0.0459 0.00000
608 -0.0280 0.00000
609 -0.1121 0.00000
610 0.0923 0.00000
611 -0.1674 0.00000
612 0.0078 0.00000
613 -0.0752 0.00000
614 -0.0389 0.00000
615 -0.0284 0.00000
616 0.0023 0.00000
617 0.0010 0.00000
618 -0.0037 0.00000
619 0.0199 0.00000
620 0.1700 0.00000
621 0.0495 0.00000
622 -0.0659 0.00000
623 -0.0338 0.00000
624 -0.0540 0.00000
625 -0.0305 0.00000
626 -0.0053 0.00000
627 -0.0371 0.00000
628 0.0106 0.00000
629 0.0051 0.00000
630 -0.0443 0.00000
631 0.1812 0.00000
632 -0.0212 0.00000
633 -0.1865 0.00000
634 -0.0076 0.00000
635 0.0048 0.00000
636 -0.0639 0.00000
637 -0.1199 0.00000
638 -0.0286 0.00000
639 0.0288 0.00000
640 -0.0559 0.00000
641 -0.0085 0.00000
642 -0.0392 0.00000
643 -0.0247 0.00000
644 -0.0438 0.00000
645 -0.0333 0.00000
646 -0.0801 0.00000
647 0.0022 0.00000
648 -0.0176 0.00000
649 -0.1043 0.00000
650 -0.0443 0.00000
651 0.0709 0.00000
652 -0.0199 0.00000
653 -0.0270 0.00000
654 0.0960 0.00000
655 -0.0845 0.00000
656 0.0269 0.00000
657 -0.0060 0.00000
658 -0.0499 0.00000
659 -0.0416 0.00000
660 -0.0754 0.00000
661 -0.0003 0.00000
662 0.0448 0.00000
663 0.0512 0.00000
664 0.0711 0.00000
665 0.0958 0.00000
666 -0.0286 0.00000
667 -0.0201 0.00000
668 -0.0210 0.00000
669 -0.0613 0.00000
670 -0.0386 0.00000
671 -0.0336 0.00000
672 -0.0131 0.00000
673 0.0084 0.00000
674 -0.0177 0.00000
675 -0.0660 0.00000
676 -0.0005 0.00000
677 -0.0580 0.00000
678 -0.0254 0.00000
679 -0.0717 0.00000
680 -0.0090 0.00000
681 -0.0328 0.00000
682 -0.0165 0.00000
683 -0.0245 0.00000
684 0.0193 0.00000
685 -0.0599 0.00000
686 -0.0090 0.00000
687 0.0129 0.00000
688 -0.0319 0.00000
689 -0.0952 0.00000
690 -0.0212 0.00000
691 -0.0145 0.00000
692 0.0165 0.00000
693 0.0277 0.00000
694 0.0572 0.00000
695 -0.0244 0.00000
696 0.0583 0.00000
697 -0.0470 0.00000
698 0.0303 0.00000
699 0.0130 0.00000
700 0.0192 0.00000
701 0.0027 0.00000
702 -0.0116 0.00000
703 -0.0156 0.00000
704 -0.0009 0.00000
705 -0.0170 0.00000
706 -0.0496 0.00000
707 0.0990 0.00000
708 -0.0230 0.00000
709 -0.0056 0.00000
710 0.0175 0.00000
711 -0.0253 0.00000
712 0.0004 0.00000
713 -0.0263 0.00000
714 -0.0102 0.00000
715 -0.0120 0.00000
716 0.0188 0.00000
717 0.0010 0.00000
718 -0.0022 0.00000
719 -0.0665 0.00000
720 -0.0615 0.00000
721 -0.0514 0.00000
722 -0.0559 0.00000
723 -0.0341 0.00000
724 0.0047 0.00000
725 -0.0269 0.00000
726 -0.2056 0.00000
727 0.0576 0.00000
728 -0.0542 0.00000
729 0.0252 0.00000
730 0.0124 0.00000
731 -0.0230 0.00000
732 -0.0055 0.00000
733 0.0241 0.00000
734 0.0043 0.00000
735 -0.0333 0.00000
736 -0.0088 0.00000
737 -0.0164 0.00000
738 -0.0006 0.00000
739 -0.0085 0.00000
740 -0.0436 0.00000
741 -0.0675 0.00000
742 0.0248 0.00000
743 0.0311 0.00000
744 -0.0059 0.00000
745 -0.0262 0.00000
746 -0.0494 0.00000
747 0.0320 0.00000
748 0.0443 0.00000
749 -0.0398 0.00000
750 -0.0737 0.00000
751 0.0319 0.00000
752 -0.1085 0.00000
753 0.0429 0.00000
754 -0.0045 0.00000
755 -0.0182 0.00000
756 -0.0203 0.00000
757 0.1546 0.00000
758 -0.0324 0.00000
759 0.0266 0.00000
760 -0.0199 0.00000
761 -0.0635 0.00000
762 -0.0428 0.00000
763 -0.0021 0.00000
764 0.0298 0.00000
765 -0.0351 0.00000
766 -0.0082 0.00000
767 -0.0391 0.00000
768 0.0184 0.00000
769 -0.0359 0.00000
770 -0.0096 0.00000
771 -0.0011 0.00000
772 -0.0000 0.00000
773 0.0179 0.00000
774 -0.0248 0.00000
775 0.0659 0.00000
776 0.0140 0.00000
777 0.0925 0.00000
778 -0.0116 0.00000
779 0.0221 0.00000
780 -0.0150 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0074 0.00000
4 -0.2051 0.00000
5 0.2519 0.00000
6 0.1274 0.00000
7 -0.0683 0.00000
8 0.0156 0.00000
9 0.4620 0.00000
10 0.2202 0.00000
11 -0.2021 0.00000
12 0.0634 0.00000
13 -0.0354 0.00000
14 -0.1462 0.00000
15 -1.0993 0.00000
16 0.0397 0.00000
17 0.0235 0.00000
18 0.1502 0.00000
19 -0.0014 0.00000
20 -0.0453 0.00000
21 -0.1608 0.00000
22 0.2708 0.00000
23 0.1106 0.00000
24 0.1832 0.00000
25 0.6340 0.00000
26 0.1446 0.00000
27 0.1749 0.00000
28 0.2566 0.00000
29 -0.0530 0.00000
30 0.0338 0.00000
31 0.5636 0.00000
32 0.5330 0.00000
33 0.0535 0.00000
34 0.0834 0.00000
35 0.0275 0.00000
36 -0.4419 0.00000
37 0.4114 0.00000
38 0.0676 0.00000
39 -0.0462 0.00000
40 -0.0189 0.00000
41 -0.1763 0.00000
42 0.0217 0.00000
43 0.1205 0.00000
44 0.0298 0.00000
45 -0.9517 0.00000
46 0.1508 0.00000
47 -0.0900 0.00000
48 0.2712 0.00000
49 0.0534 0.00000
50 0.0134 0.00000
51 0.1869 0.00000
52 0.1164 0.00000
53 -0.0308 0.00000
54 -0.0324 0.00000
55 0.2165 0.00000
56 0.0132 0.00000
57 -0.0885 0.00000
58 0.1709 0.00000
59 -0.5527 0.00000
60 0.0322 0.00000
61 -0.2409 0.00000
62 -0.0711 0.00000
63 0.0252 0.00000
64 0.0812 0.00000
65 0.1390 0.00000
66 0.0601 0.00000
67 0.0607 0.00000
68 0.1181 0.00000
69 -0.0207 0.00000
70 0.2128 0.00000
71 0.0511 0.00000
72 0.0568 0.00000
73 0.0295 0.00000
74 -0.0084 0.00000
75 -0.0063 0.00000
76 0.0395 0.00000
77 0.0205 0.00000
78 0.0537 0.00000
79 0.0523 0.00000
80 -0.0257 0.00000
81 0.0619 0.00000
82 0.1167 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3698 0.00000
89 -0.0492 0.00000
90 -0.3834 0.00000
91 -0.1438 0.00000
92 -0.3856 0.00000
93 0.0081 0.00000
94 0.0186 0.00000
95 -0.0074 0.00000
96 0.0190 0.00000
97 -0.0995 0.00000
98 0.1253 0.00000
99 0.1278 0.00000
100 0.0165 0.00000
101 0.0831 0.00000
102 0.3254 0.00000
103 -0.0727 0.00000
104 0.1031 0.00000
105 -0.1670 0.00000
106 -0.1286 0.00000
107 -0.0271 0.00000
108 0.0606 0.00000
109 -0.0362 0.00000
110 0.1892 0.00000
111 -0.0216 0.00000
112 0.1410 0.00000
113 0.0479 0.00000
114 -0.0865 0.00000
115 -0.1756 0.00000
116 -0.1959 0.00000
117 -0.0358 0.00000
118 0.0091 0.00000
119 0.0517 0.00000
120 0.0914 0.00000
121 0.1587 0.00000
122 0.0517 0.00000
123 -0.0229 0.00000
124 0.1440 0.00000
125 -0.1248 0.00000
126 -0.0558 0.00000
127 -0.0254 0.00000
128 -0.0899 0.00000
129 0.0413 0.00000
130 -0.1030 0.00000
131 0.1847 0.00000
132 -0.0335 0.00000
133 -0.0128 0.00000
134 -0.5182 0.00000
135 -0.0107 0.00000
136 -0.0234 0.00000
137 -0.0380 0.00000
138 0.0664 0.00000
139 -0.0785 0.00000
140 -0.0092 0.00000
141 -0.1355 0.00000
142 0.0181 0.00000
143 -0.0158 0.00000
144 0.0166 0.00000
145 0.0209 0.00000
146 0.0165 0.00000
147 0.0053 0.00000
148 -0.0210 0.00000
149 0.2260 0.00000
150 0.0048 0.00000
151 0.2465 0.00000
152 -0.3285 0.00000
153 0.1616 0.00000
154 0.0851 0.00000
155 0.1347 0.00000
156 -0.0415 0.00000
157 -0.3421 0.00000
158 0.1751 0.00000
159 -0.0603 0.00000
160 0.0838 0.00000
161 0.0550 0.00000
162 0.0347 0.00000
163 0.2749 0.00000
164 0.6578 0.00000
165 0.0578 0.00000
166 -0.2339 0.00000
167 -0.0057 0.00000
168 0.0583 0.00000
169 -0.0051 0.00000
170 -0.0346 0.00000
171 -0.0061 0.00000
172 0.1202 0.00000
173 0.1037 0.00000
174 -0.0021 0.00000
175 -0.1335 0.00000
176 0.0068 0.00000
177 0.3699 0.00000
178 0.1345 0.00000
179 -0.0897 0.00000
180 0.0422 0.00000
181 0.0199 0.00000
182 0.0244 0.00000
183 -0.1490 0.00000
184 0.0221 0.00000
185 -0.1062 0.00000
186 -0.0175 0.00000
187 -0.1478 0.00000
188 -0.3545 0.00000
189 -0.0201 0.00000
190 0.1233 0.00000
191 -0.0629 0.00000
192 -0.1128 0.00000
193 0.0650 0.00000
194 -0.0227 0.00000
195 0.0108 0.00000
196 0.1054 0.00000
197 0.0328 0.00000
198 -0.0999 0.00000
199 -0.0717 0.00000
200 -0.0279 0.00000
201 -0.0134 0.00000
202 -0.0767 0.00000
203 0.1067 0.00000
204 -0.1871 0.00000
205 -0.0892 0.00000
206 0.0127 0.00000
207 0.0865 0.00000
208 0.0089 0.00000
209 0.0121 0.00000
210 -0.0273 0.00000
211 -0.0788 0.00000
212 -0.0067 0.00000
213 0.0484 0.00000
214 0.0277 0.00000
215 0.0020 0.00000
216 0.0573 0.00000
217 0.0551 0.00000
218 0.1743 0.00000
219 0.2583 0.00000
220 0.0046 0.00000
221 0.0880 0.00000
222 0.0116 0.00000
223 -0.0501 0.00000
224 0.0733 0.00000
225 0.0681 0.00000
226 0.0530 0.00000
227 -0.0016 0.00000
228 -0.0014 0.00000
229 0.1047 0.00000
230 0.0398 0.00000
231 -0.3170 0.00000
232 -0.0128 0.00000
233 -0.0247 0.00000
234 -0.0757 0.00000
235 -0.1620 0.00000
236 -0.0820 0.00000
237 -0.2114 0.00000
238 -0.1638 0.00000
239 -0.1253 0.00000
240 -0.0853 0.00000
241 -0.0479 0.00000
242 0.0124 0.00000
243 0.0342 0.00000
244 0.0283 0.00000
245 0.1815 0.00000
246 -0.1218 0.00000
247 0.1735 0.00000
248 0.8915 0.00000
249 -0.0866 0.00000
250 -0.0709 0.00000
251 -0.0698 0.00000
252 -0.0005 0.00000
253 -0.0121 0.00000
254 -0.0908 0.00000
255 -0.0463 0.00000
256 0.1610 0.00000
257 -0.0366 0.00000
258 0.1303 0.00000
259 0.0213 0.00000
260 -0.0113 0.00000
261 -0.0136 0.00000
262 -0.0076 0.00000
263 -0.0863 0.00000
264 0.0012 0.00000
265 0.0286 0.00000
266 -0.0800 0.00000
267 -0.0240 0.00000
268 -0.0426 0.00000
269 -0.1083 0.00000
270 -0.1036 0.00000
271 -0.0324 0.00000
272 -0.4434 0.00000
273 0.1091 0.00000
274 -0.0822 0.00000
275 -0.0322 0.00000
276 0.2041 0.00000
277 0.0922 0.00000
278 0.0821 0.00000
279 -0.0623 0.00000
280 0.1682 0.00000
281 -0.0787 0.00000
282 -0.0831 0.00000
283 -0.0093 0.00000
284 -0.0835 0.00000
285 0.1082 0.00000
286 0.0838 0.00000
287 0.0328 0.00000
288 0.0432 0.00000
289 -0.1214 0.00000
290 -0.1041 0.00000
291 0.0435 0.00000
292 0.0657 0.00000
293 -0.0187 0.00000
294 -0.0436 0.00000
295 -0.0819 0.00000
296 -0.0295 0.00000
297 -0.0045 0.00000
298 0.0250 0.00000
299 0.0502 0.00000
300 0.0033 0.00000
301 0.0232 0.00000
302 -0.2038 0.00000
303 -0.0587 0.00000
304 0.0225 0.00000
305 0.0580 0.00000
306 0.0527 0.00000
307 -0.0155 0.00000
308 0.0827 0.00000
309 -0.0214 0.00000
310 0.0363 0.00000
311 -0.0654 0.00000
312 0.0127 0.00000
313 -0.0431 0.00000
314 -0.0538 0.00000
315 0.1538 0.00000
316 -0.2657 0.00000
317 0.0436 0.00000
318 0.0971 0.00000
319 -0.0185 0.00000
320 0.0194 0.00000
321 0.0185 0.00000
322 -0.1766 0.00000
323 -0.0014 0.00000
324 0.0361 0.00000
325 -0.0291 0.00000
326 -0.0411 0.00000
327 0.0797 0.00000
328 0.0245 0.00000
329 0.0215 0.00000
330 -0.0448 0.00000
331 -0.0183 0.00000
332 0.0579 0.00000
333 -0.0509 0.00000
334 0.0241 0.00000
335 0.0186 0.00000
336 0.0361 0.00000
337 0.0075 0.00000
338 -0.0027 0.00000
339 0.0926 0.00000
340 -0.0141 0.00000
341 0.0535 0.00000
342 -0.0301 0.00000
343 0.0880 0.00000
344 0.0333 0.00000
345 -0.0551 0.00000
346 -0.0954 0.00000
347 0.0547 0.00000
348 -0.0109 0.00000
349 -0.0196 0.00000
350 0.0015 0.00000
351 -0.0226 0.00000
352 0.0274 0.00000
353 0.1127 0.00000
354 0.0109 0.00000
355 0.0020 0.00000
356 0.0640 0.00000
357 -0.0240 0.00000
358 -0.0106 0.00000
359 0.0211 0.00000
360 -0.1156 0.00000
361 -0.0407 0.00000
362 0.1291 0.00000
363 0.0033 0.00000
364 0.0515 0.00000
365 -0.0096 0.00000
366 0.0396 0.00000
367 -0.0507 0.00000
368 0.0320 0.00000
369 0.0183 0.00000
370 0.0104 0.00000
371 0.1269 0.00000
372 0.1772 0.00000
373 0.0226 0.00000
374 0.0162 0.00000
375 0.0806 0.00000
376 0.0571 0.00000
377 -0.0209 0.00000
378 0.1016 0.00000
379 0.0292 0.00000
380 0.0054 0.00000
381 0.0592 0.00000
382 0.0021 0.00000
383 0.0083 0.00000
384 0.0276 0.00000
385 0.1836 0.00000
386 0.0482 0.00000
387 -0.0042 0.00000
388 0.0373 0.00000
389 0.1151 0.00000
390 0.0745 0.00000
391 -0.0431 0.00000
392 0.0836 0.00000
393 -0.0788 0.00000
394 0.0211 0.00000
395 0.0249 0.00000
396 0.1127 0.00000
397 -0.0114 0.00000
398 -0.0518 0.00000
399 -0.0191 0.00000
400 -0.0186 0.00000
401 -0.0332 0.00000
402 0.0251 0.00000
403 0.0076 0.00000
404 -0.0490 0.00000
405 0.0231 0.00000
406 0.0459 0.00000
407 0.0238 0.00000
408 0.0238 0.00000
409 -0.0280 0.00000
410 0.0503 0.00000
411 0.0925 0.00000
412 0.0939 0.00000
413 0.0331 0.00000
414 0.0522 0.00000
415 0.0569 0.00000
416 -0.0312 0.00000
417 -0.0170 0.00000
418 0.0805 0.00000
419 0.0847 0.00000
420 0.0013 0.00000
421 0.0064 0.00000
422 -0.0080 0.00000
423 -0.0187 0.00000
424 -0.0046 0.00000
425 -0.0909 0.00000
426 0.0341 0.00000
427 0.0006 0.00000
428 -0.0187 0.00000
429 0.0472 0.00000
430 0.0358 0.00000
431 0.0806 0.00000
432 -0.0315 0.00000
433 -0.0466 0.00000
434 -0.0788 0.00000
435 0.1467 0.00000
436 -0.0094 0.00000
437 -0.2079 0.00000
438 0.0465 0.00000
439 -0.0463 0.00000
440 -0.0518 0.00000
441 -0.0837 0.00000
442 -0.0179 0.00000
443 -0.0149 0.00000
444 -0.0296 0.00000
445 0.0098 0.00000
446 0.0839 0.00000
447 -0.0012 0.00000
448 0.0147 0.00000
449 0.1445 0.00000
450 -0.0192 0.00000
451 0.1180 0.00000
452 0.0052 0.00000
453 0.0174 0.00000
454 0.1156 0.00000
455 0.0596 0.00000
456 0.0623 0.00000
457 0.0590 0.00000
458 -0.0309 0.00000
459 -0.0311 0.00000
460 0.0843 0.00000
461 -0.0655 0.00000
462 0.0097 0.00000
463 -0.0604 0.00000
464 0.0607 0.00000
465 0.0268 0.00000
466 0.1030 0.00000
467 -0.0543 0.00000
468 -0.0207 0.00000
469 -0.0031 0.00000
470 -0.4480 0.00000
471 0.0350 0.00000
472 0.0014 0.00000
473 0.0628 0.00000
474 0.0254 0.00000
475 -0.1431 0.00000
476 -0.1149 0.00000
477 0.0539 0.00000
478 0.0386 0.00000
479 0.0615 0.00000
480 -0.0820 0.00000
481 0.0263 0.00000
482 -0.0221 0.00000
483 -0.0480 0.00000
484 0.0449 0.00000
485 0.0072 0.00000
486 0.3878 0.00000
487 0.1374 0.00000
488 0.1008 0.00000
489 0.0054 0.00000
490 -0.0430 0.00000
491 -0.1080 0.00000
492 -0.0803 0.00000
493 -0.1132 0.00000
494 -0.1298 0.00000
495 0.0780 0.00000
496 -0.0057 0.00000
497 -0.0171 0.00000
498 -0.0111 0.00000
499 0.0141 0.00000
500 0.1372 0.00000
501 -0.0424 0.00000
502 -0.0492 0.00000
503 0.0408 0.00000
504 0.1056 0.00000
505 -0.1002 0.00000
506 -0.1243 0.00000
507 -0.0326 0.00000
508 -0.0404 0.00000
509 0.0895 0.00000
510 0.1256 0.00000
511 -0.1387 0.00000
512 0.0252 0.00000
513 0.0250 0.00000
514 -0.0472 0.00000
515 0.0358 0.00000
516 0.0488 0.00000
517 -0.1929 0.00000
518 -0.0028 0.00000
519 -0.1652 0.00000
520 0.0370 0.00000
521 0.0935 0.00000
522 0.0147 0.00000
523 -0.0193 0.00000
524 -0.0043 0.00000
525 -0.0611 0.00000
526 0.0726 0.00000
527 -0.0215 0.00000
528 0.1003 0.00000
529 0.0196 0.00000
530 0.0503 0.00000
531 0.0641 0.00000
532 0.0388 0.00000
533 0.0238 0.00000
534 0.0452 0.00000
535 0.0218 0.00000
536 0.0387 0.00000
537 0.0989 0.00000
538 0.0066 0.00000
539 0.0721 0.00000
540 0.0125 0.00000
541 0.0317 0.00000
542 0.0185 0.00000
543 0.0848 0.00000
544 0.0918 0.00000
545 -0.0074 0.00000
546 -0.0759 0.00000
547 0.0193 0.00000
548 0.0148 0.00000
549 0.0282 0.00000
550 0.0728 0.00000
551 -0.0317 0.00000
552 -0.0051 0.00000
553 -0.0148 0.00000
554 -0.0758 0.00000
555 0.0475 0.00000
556 0.0260 0.00000
557 0.0075 0.00000
558 -0.0334 0.00000
559 0.0843 0.00000
560 0.0131 0.00000
561 0.2460 0.00000
562 0.0015 0.00000
563 0.0705 0.00000
564 0.0691 0.00000
565 -0.0294 0.00000
566 -0.3203 0.00000
567 -0.0015 0.00000
568 0.0911 0.00000
569 -0.0550 0.00000
570 0.0035 0.00000
571 -0.1127 0.00000
572 0.0664 0.00000
573 0.0382 0.00000
574 0.0254 0.00000
575 0.1030 0.00000
576 0.0348 0.00000
577 0.0179 0.00000
578 0.0106 0.00000
579 0.0371 0.00000
580 0.0815 0.00000
581 0.0570 0.00000
582 0.0251 0.00000
583 0.0225 0.00000
584 0.0947 0.00000
585 0.0167 0.00000
586 0.0173 0.00000
587 0.0553 0.00000
588 0.0345 0.00000
589 -0.2057 0.00000
590 0.0189 0.00000
591 -0.0372 0.00000
592 -0.0103 0.00000
593 -0.0364 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1954 0.00000
597 -0.2043 0.00000
598 -0.0713 0.00000
599 0.0897 0.00000
600 -0.0575 0.00000
601 0.1561 0.00000
602 -0.1072 0.00000
603 -0.0671 0.00000
604 0.0885 0.00000
605 -0.0425 0.00000
606 0.0096 0.00000
607 0.0656 0.00000
608 -0.1371 0.00000
609 -0.1512 0.00000
610 0.0514 0.00000
611 -0.1527 0.00000
612 0.0157 0.00000
613 -0.0059 0.00000
614 0.0584 0.00000
615 -0.0964 0.00000
616 0.1456 0.00000
617 0.0283 0.00000
618 -0.0496 0.00000
619 -0.0161 0.00000
620 -0.0543 0.00000
621 -0.1088 0.00000
622 0.0182 0.00000
623 -0.0028 0.00000
624 0.0615 0.00000
625 -0.0940 0.00000
626 0.0041 0.00000
627 -0.0423 0.00000
628 -0.0848 0.00000
629 -0.0068 0.00000
630 0.2051 0.00000
631 -0.0494 0.00000
632 -0.0159 0.00000
633 -0.0389 0.00000
634 -0.0541 0.00000
635 -0.0208 0.00000
636 -0.0089 0.00000
637 0.0015 0.00000
638 -0.0532 0.00000
639 -0.0006 0.00000
640 -0.0047 0.00000
641 -0.0060 0.00000
642 -0.1125 0.00000
643 0.0313 0.00000
644 -0.0407 0.00000
645 -0.0162 0.00000
646 0.0445 0.00000
647 -0.1252 0.00000
648 0.0051 0.00000
649 -0.0191 0.00000
650 -0.0150 0.00000
651 -0.0024 0.00000
652 -0.0065 0.00000
653 -0.0608 0.00000
654 -0.0082 0.00000
655 -0.0221 0.00000
656 -0.0855 0.00000
657 -0.0563 0.00000
658 -0.0205 0.00000
659 -0.0531 0.00000
660 -0.0703 0.00000
661 0.0766 0.00000
662 -0.0059 0.00000
663 0.0761 0.00000
664 -0.0179 0.00000
665 -0.0205 0.00000
666 -0.0209 0.00000
667 0.0395 0.00000
668 0.0300 0.00000
669 0.0183 0.00000
670 -0.0456 0.00000
671 -0.0220 0.00000
672 -0.0529 0.00000
673 -0.0262 0.00000
674 -0.0384 0.00000
675 0.0104 0.00000
676 -0.0061 0.00000
677 -0.1248 0.00000
678 -0.0025 0.00000
679 -0.0169 0.00000
680 0.0014 0.00000
681 0.0315 0.00000
682 -0.0352 0.00000
683 -0.0174 0.00000
684 0.0584 0.00000
685 -0.0492 0.00000
686 -0.0245 0.00000
687 0.0163 0.00000
688 0.0126 0.00000
689 -0.0217 0.00000
690 -0.0383 0.00000
691 -0.0160 0.00000
692 0.0008 0.00000
693 0.0218 0.00000
694 -0.0177 0.00000
695 -0.0259 0.00000
696 -0.0027 0.00000
697 0.0301 0.00000
698 -0.0196 0.00000
699 -0.0373 0.00000
700 0.0227 0.00000
701 -0.0398 0.00000
702 -0.0199 0.00000
703 0.0459 0.00000
704 -0.0426 0.00000
705 -0.0582 0.00000
706 -0.0076 0.00000
707 -0.0137 0.00000
708 0.0102 0.00000
709 0.0076 0.00000
710 -0.0440 0.00000
711 -0.0200 0.00000
712 -0.0059 0.00000
713 -0.0399 0.00000
714 0.0242 0.00000
715 -0.0407 0.00000
716 -0.0379 0.00000
717 0.0150 0.00000
718 -0.0361 0.00000
719 0.0002 0.00000
720 -0.0624 0.00000
721 -0.0506 0.00000
722 0.0257 0.00000
723 -0.0107 0.00000
724 -0.0443 0.00000
725 0.0069 0.00000
726 -0.0159 0.00000
727 -0.0217 0.00000
728 -0.0491 0.00000
729 -0.0129 0.00000
730 -0.0584 0.00000
731 -0.0805 0.00000
732 0.0171 0.00000
733 0.0062 0.00000
734 0.0297 0.00000
735 0.0005 0.00000
736 0.0526 0.00000
737 -0.0653 0.00000
738 0.0290 0.00000
739 -0.0483 0.00000
740 -0.0155 0.00000
741 -0.0542 0.00000
742 0.0080 0.00000
743 0.0505 0.00000
744 -0.0159 0.00000
745 0.0105 0.00000
746 -0.0123 0.00000
747 -0.0311 0.00000
748 -0.0183 0.00000
749 -0.0374 0.00000
750 -0.0799 0.00000
751 -0.0308 0.00000
752 0.0048 0.00000
753 0.0186 0.00000
754 0.0467 0.00000
755 -0.0122 0.00000
756 0.0377 0.00000
757 -0.0309 0.00000
758 0.0384 0.00000
759 0.0360 0.00000
760 -0.0591 0.00000
761 -0.0486 0.00000
762 0.0174 0.00000
763 0.0063 0.00000
764 -0.0013 0.00000
765 0.0351 0.00000
766 -0.0029 0.00000
767 0.0372 0.00000
768 0.1046 0.00000
769 -0.0383 0.00000
770 -0.0230 0.00000
771 -0.0207 0.00000
772 -0.0178 0.00000
773 -0.0060 0.00000
774 0.0672 0.00000
775 -0.0047 0.00000
776 0.0202 0.00000
777 -0.0298 0.00000
778 -0.0317 0.00000
779 -0.0022 0.00000
780 0.0253 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0074 0.00000
4 -0.1887 0.00000
5 0.2351 0.00000
6 0.1285 0.00000
7 -0.0677 0.00000
8 0.0144 0.00000
9 0.4598 0.00000
10 0.2206 0.00000
11 -0.2003 0.00000
12 0.0632 0.00000
13 -0.0352 0.00000
14 -0.1464 0.00000
15 -1.0971 0.00000
16 0.0338 0.00000
17 0.0622 0.00000
18 0.1140 0.00000
19 0.0130 0.00000
20 -0.0500 0.00000
21 -0.1616 0.00000
22 0.2784 0.00000
23 0.0823 0.00000
24 0.0355 0.00000
25 0.8140 0.00000
26 0.1700 0.00000
27 0.2113 0.00000
28 0.1954 0.00000
29 -0.0080 0.00000
30 0.0506 0.00000
31 0.4322 0.00000
32 0.6031 0.00000
33 0.1016 0.00000
34 0.1168 0.00000
35 0.0204 0.00000
36 -0.5089 0.00000
37 0.2508 0.00000
38 0.0442 0.00000
39 0.0024 0.00000
40 0.3000 0.00000
41 -0.1349 0.00000
42 -0.2805 0.00000
43 0.1216 0.00000
44 -0.2703 0.00000
45 -0.3099 0.00000
46 0.0267 0.00000
47 -0.3664 0.00000
48 0.3762 0.00000
49 0.0966 0.00000
50 -0.0205 0.00000
51 0.1214 0.00000
52 0.1532 0.00000
53 -0.0002 0.00000
54 0.0314 0.00000
55 0.0015 0.00000
56 0.3310 0.00000
57 -0.0072 0.00000
58 -0.0897 0.00000
59 -0.5520 0.00000
60 0.1084 0.00000
61 -0.2805 0.00000
62 -0.1406 0.00000
63 0.0864 0.00000
64 0.1462 0.00000
65 0.1379 0.00000
66 0.0199 0.00000
67 -0.0307 0.00000
68 0.1084 0.00000
69 0.0337 0.00000
70 0.0434 0.00000
71 0.2120 0.00000
72 0.0568 0.00000
73 0.0314 0.00000
74 -0.0020 0.00000
75 0.0045 0.00000
76 0.0319 0.00000
77 0.0180 0.00000
78 0.0516 0.00000
79 0.0520 0.00000
80 -0.0256 0.00000
81 0.0619 0.00000
82 0.1166 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3700 0.00000
89 -0.0530 0.00000
90 -0.3801 0.00000
91 -0.1147 0.00000
92 -0.4147 0.00000
93 0.0031 0.00000
94 0.0110 0.00000
95 0.0067 0.00000
96 -0.0045 0.00000
97 -0.0976 0.00000
98 0.1297 0.00000
99 0.1530 0.00000
100 0.0175 0.00000
101 0.0967 0.00000
102 0.3019 0.00000
103 -0.0200 0.00000
104 0.0623 0.00000
105 -0.2248 0.00000
106 -0.0943 0.00000
107 0.0115 0.00000
108 0.0469 0.00000
109 0.0108 0.00000
110 -0.0081 0.00000
111 0.1201 0.00000
112 0.0842 0.00000
113 0.1419 0.00000
114 -0.1834 0.00000
115 -0.0765 0.00000
116 -0.2312 0.00000
117 -0.0531 0.00000
118 0.0194 0.00000
119 0.0429 0.00000
120 0.0705 0.00000
121 0.2944 0.00000
122 -0.0753 0.00000
123 0.1264 0.00000
124 0.0939 0.00000
125 -0.2064 0.00000
126 -0.0627 0.00000
127 -0.0287 0.00000
128 -0.0748 0.00000
129 0.0258 0.00000
130 -0.0637 0.00000
131 0.1893 0.00000
132 -0.0651 0.00000
133 -0.0699 0.00000
134 -0.4596 0.00000
135 -0.0102 0.00000
136 -0.0358 0.00000
137 -0.0175 0.00000
138 0.0563 0.00000
139 -0.0634 0.00000
140 -0.0287 0.00000
141 -0.1356 0.00000
142 0.0174 0.00000
143 -0.0128 0.00000
144 0.0193 0.00000
145 0.0217 0.00000
146 0.0145 0.00000
147 0.0058 0.00000
148 -0.0260 0.00000
149 0.2489 0.00000
150 0.0198 0.00000
151 0.1435 0.00000
152 -0.2100 0.00000
153 0.0985 0.00000
154 0.1974 0.00000
155 0.0822 0.00000
156 -0.3361 0.00000
157 0.0740 0.00000
158 -0.0306 0.00000
159 0.1091 0.00000
160 0.1328 0.00000
161 0.0221 0.00000
162 -0.0181 0.00000
163 0.2301 0.00000
164 0.4472 0.00000
165 0.0155 0.00000
166 -0.1112 0.00000
167 0.2083 0.00000
168 -0.0454 0.00000
169 -0.0952 0.00000
170 -0.0389 0.00000
171 0.3267 0.00000
172 -0.1947 0.00000
173 0.0587 0.00000
174 0.0142 0.00000
175 -0.0037 0.00000
176 0.3527 0.00000
177 -0.0402 0.00000
178 0.0103 0.00000
179 0.0014 0.00000
180 -0.0286 0.00000
181 0.0241 0.00000
182 0.1558 0.00000
183 -0.0532 0.00000
184 0.0277 0.00000
185 -0.1064 0.00000
186 -0.0245 0.00000
187 -0.4847 0.00000
188 0.0112 0.00000
189 0.0035 0.00000
190 -0.1635 0.00000
191 -0.1022 0.00000
192 0.0784 0.00000
193 0.0430 0.00000
194 -0.0140 0.00000
195 0.0347 0.00000
196 -0.0107 0.00000
197 0.0069 0.00000
198 0.0094 0.00000
199 -0.1233 0.00000
200 0.0176 0.00000
201 0.0234 0.00000
202 -0.0548 0.00000
203 -0.0129 0.00000
204 -0.0889 0.00000
205 -0.1965 0.00000
206 0.1597 0.00000
207 -0.0433 0.00000
208 -0.0186 0.00000
209 0.0595 0.00000
210 0.1022 0.00000
211 -0.2685 0.00000
212 0.1094 0.00000
213 0.0371 0.00000
214 0.0542 0.00000
215 0.0293 0.00000
216 0.0649 0.00000
217 0.0411 0.00000
218 0.1618 0.00000
219 0.0774 0.00000
220 0.1141 0.00000
221 0.0581 0.00000
222 0.0350 0.00000
223 0.0317 0.00000
224 0.0167 0.00000
225 0.0717 0.00000
226 0.0641 0.00000
227 -0.0125 0.00000
228 -0.0067 0.00000
229 0.1042 0.00000
230 0.0465 0.00000
231 -0.3175 0.00000
232 -0.0158 0.00000
233 -0.0234 0.00000
234 -0.0748 0.00000
235 -0.2016 0.00000
236 -0.0852 0.00000
237 -0.1167 0.00000
238 -0.2088 0.00000
239 -0.0289 0.00000
240 -0.1283 0.00000
241 -0.1410 0.00000
242 0.1141 0.00000
243 -0.1079 0.00000
244 -0.0217 0.00000
245 0.0546 0.00000
246 0.1436 0.00000
247 0.4251 0.00000
248 0.4457 0.00000
249 -0.0804 0.00000
250 0.1077 0.00000
251 -0.1418 0.00000
252 0.0207 0.00000
253 0.0086 0.00000
254 -0.0447 0.00000
255 -0.0078 0.00000
256 0.1533 0.00000
257 -0.0359 0.00000
258 0.1150 0.00000
259 0.0227 0.00000
260 -0.0114 0.00000
261 -0.0403 0.00000
262 -0.0087 0.00000
263 -0.0126 0.00000
264 0.0300 0.00000
265 -0.0175 0.00000
266 -0.1430 0.00000
267 -0.0828 0.00000
268 -0.0796 0.00000
269 -0.0281 0.00000
270 -0.0539 0.00000
271 -0.2564 0.00000
272 -0.2347 0.00000
273 0.1681 0.00000
274 0.0417 0.00000
275 0.2999 0.00000
276 -0.1082 0.00000
277 -0.0214 0.00000
278 -0.0757 0.00000
279 -0.0466 0.00000
280 -0.0416 0.00000
281 0.0349 0.00000
282 0.0715 0.00000
283 0.0105 0.00000
284 0.0586 0.00000
285 -0.0473 0.00000
286 -0.0554 0.00000
287 -0.0115 0.00000
288 -0.0027 0.00000
289 -0.0421 0.00000
290 0.0120 0.00000
291 0.0230 0.00000
292 -0.1376 0.00000
293 -0.0029 0.00000
294 0.0301 0.00000
295 0.0587 0.00000
296 -0.0655 0.00000
297 -0.0486 0.00000
298 -0.0500 0.00000
299 0.1487 0.00000
300 -0.0715 0.00000
301 0.0192 0.00000
302 0.0494 0.00000
303 -0.0202 0.00000
304 0.0340 0.00000
305 -0.0063 0.00000
306 -0.0282 0.00000
307 -0.0027 0.00000
308 -0.0349 0.00000
309 0.0495 0.00000
310 0.0340 0.00000
311 -0.1089 0.00000
312 -0.0336 0.00000
313 0.0197 0.00000
314 0.1054 0.00000
315 0.0129 0.00000
316 -0.3238 0.00000
317 0.0235 0.00000
318 0.2157 0.00000
319 0.0953 0.00000
320 -0.1190 0.00000
321 -0.1419 0.00000
322 0.0664 0.00000
323 0.0664 0.00000
324 -0.0200 0.00000
325 -0.0016 0.00000
326 -0.0651 0.00000
327 -0.0111 0.00000
328 0.0415 0.00000
329 -0.0231 0.00000
330 -0.0032 0.00000
331 0.0240 0.00000
332 -0.0975 0.00000
333 -0.0143 0.00000
334 0.0071 0.00000
335 0.0744 0.00000
336 0.0204 0.00000
337 0.0025 0.00000
338 -0.0294 0.00000
339 0.0088 0.00000
340 0.0729 0.00000
341 0.1132 0.00000
342 -0.0389 0.00000
343 0.0010 0.00000
344 0.0609 0.00000
345 0.0251 0.00000
346 0.0254 0.00000
347 0.0304 0.00000
348 0.0866 0.00000
349 -0.0441 0.00000
350 -0.0890 0.00000
351 -0.0097 0.00000
352 -0.0198 0.00000
353 0.0647 0.00000
354 0.0965 0.00000
355 -0.0099 0.00000
356 -0.0596 0.00000
357 0.0359 0.00000
358 -0.0599 0.00000
359 0.0135 0.00000
360 -0.0692 0.00000
361 -0.0230 0.00000
362 -0.0389 0.00000
363 0.0421 0.00000
364 0.0780 0.00000
365 0.0649 0.00000
366 0.0283 0.00000
367 0.0701 0.00000
368 -0.0045 0.00000
369 0.0306 0.00000
370 0.0689 0.00000
371 0.1170 0.00000
372 -0.0338 0.00000
373 0.0919 0.00000
374 0.0023 0.00000
375 0.0314 0.00000
376 0.0117 0.00000
377 0.0584 0.00000
378 0.1281 0.00000
379 -0.0041 0.00000
380 -0.0207 0.00000
381 0.0527 0.00000
382 -0.0144 0.00000
383 0.0208 0.00000
384 0.1116 0.00000
385 0.0789 0.00000
386 -0.0217 0.00000
387 0.0306 0.00000
388 0.2848 0.00000
389 -0.0669 0.00000
390 0.0924 0.00000
391 0.0025 0.00000
392 0.0428 0.00000
393 -0.0342 0.00000
394 0.0880 0.00000
395 -0.0105 0.00000
396 0.0329 0.00000
397 0.0552 0.00000
398 -0.0069 0.00000
399 -0.1864 0.00000
400 -0.1576 0.00000
401 0.0648 0.00000
402 0.0528 0.00000
403 0.0549 0.00000
404 0.0685 0.00000
405 -0.0417 0.00000
406 0.0300 0.00000
407 0.0839 0.00000
408 0.0901 0.00000
409 0.0510 0.00000
410 -0.0020 0.00000
411 0.0192 0.00000
412 -0.0215 0.00000
413 0.0361 0.00000
414 -0.0175 0.00000
415 0.0431 0.00000
416 0.1700 0.00000
417 0.0192 0.00000
418 -0.0127 0.00000
419 -0.0238 0.00000
420 0.0398 0.00000
421 0.0661 0.00000
422 -0.0180 0.00000
423 0.0228 0.00000
424 0.0253 0.00000
425 -0.0450 0.00000
426 -0.0392 0.00000
427 0.0186 0.00000
428 0.0069 0.00000
429 -0.0267 0.00000
430 -0.0257 0.00000
431 0.0156 0.00000
432 0.0092 0.00000
433 -0.0490 0.00000
434 -0.0901 0.00000
435 -0.0047 0.00000
436 0.0370 0.00000
437 -0.0278 0.00000
438 0.0261 0.00000
439 -0.0015 0.00000
440 0.0346 0.00000
441 0.0218 0.00000
442 -0.0614 0.00000
443 -0.0239 0.00000
444 0.0474 0.00000
445 -0.0021 0.00000
446 0.0618 0.00000
447 0.0108 0.00000
448 0.0637 0.00000
449 0.0135 0.00000
450 0.0407 0.00000
451 0.0501 0.00000
452 0.1848 0.00000
453 -0.0449 0.00000
454 -0.0536 0.00000
455 0.0496 0.00000
456 0.1140 0.00000
457 -0.1081 0.00000
458 -0.0173 0.00000
459 0.0856 0.00000
460 0.0007 0.00000
461 -0.0477 0.00000
462 -0.1084 0.00000
463 0.0150 0.00000
464 -0.0353 0.00000
465 0.0732 0.00000
466 0.0363 0.00000
467 -0.0725 0.00000
468 -0.0367 0.00000
469 -0.0418 0.00000
470 0.0064 0.00000
471 -0.0852 0.00000
472 -0.0185 0.00000
473 -0.1298 0.00000
474 -0.0491 0.00000
475 -0.1843 0.00000
476 -0.0313 0.00000
477 0.0669 0.00000
478 0.2455 0.00000
479 -0.0200 0.00000
480 -0.2774 0.00000
481 0.0612 0.00000
482 -0.0196 0.00000
483 0.6278 0.00000
484 -0.0144 0.00000
485 -0.0615 0.00000
486 -0.0074 0.00000
487 -0.0546 0.00000
488 0.0460 0.00000
489 0.1204 0.00000
490 -0.2193 0.00000
491 -0.0947 0.00000
492 0.0619 0.00000
493 -0.0327 0.00000
494 0.2282 0.00000
495 0.0015 0.00000
496 -0.0208 0.00000
497 0.0195 0.00000
498 -0.0472 0.00000
499 -0.0204 0.00000
500 -0.0796 0.00000
501 0.0067 0.00000
502 0.0239 0.00000
503 -0.1497 0.00000
504 -0.0413 0.00000
505 0.0215 0.00000
506 -0.0444 0.00000
507 0.0829 0.00000
508 0.0429 0.00000
509 -0.0028 0.00000
510 0.0604 0.00000
511 -0.0449 0.00000
512 -0.1530 0.00000
513 0.0628 0.00000
514 -0.0446 0.00000
515 0.0031 0.00000
516 -0.0631 0.00000
517 0.1286 0.00000
518 -0.0178 0.00000
519 0.0946 0.00000
520 -0.0422 0.00000
521 -0.0675 0.00000
522 -0.0282 0.00000
523 0.0693 0.00000
524 0.0366 0.00000
525 -0.0084 0.00000
526 -0.0672 0.00000
527 0.0408 0.00000
528 0.0096 0.00000
529 0.0647 0.00000
530 0.0722 0.00000
531 -0.0323 0.00000
532 -0.0035 0.00000
533 0.0124 0.00000
534 0.0029 0.00000
535 0.0122 0.00000
536 0.0584 0.00000
537 0.0088 0.00000
538 0.0271 0.00000
539 0.0840 0.00000
540 0.1385 0.00000
541 0.0016 0.00000
542 -0.0021 0.00000
543 0.0917 0.00000
544 0.0422 0.00000
545 0.0456 0.00000
546 0.0008 0.00000
547 -0.0371 0.00000
548 0.0493 0.00000
549 0.0534 0.00000
550 -0.0365 0.00000
551 -0.0406 0.00000
552 0.0214 0.00000
553 0.0199 0.00000
554 -0.0133 0.00000
555 0.0071 0.00000
556 0.1133 0.00000
557 0.0443 0.00000
558 0.0765 0.00000
559 0.0062 0.00000
560 -0.0345 0.00000
561 0.0896 0.00000
562 -0.0448 0.00000
563 0.0099 0.00000
564 -0.0612 0.00000
565 0.0868 0.00000
566 0.0707 0.00000
567 -0.1333 0.00000
568 -0.0308 0.00000
569 -0.0222 0.00000
570 0.0260 0.00000
571 -0.0391 0.00000
572 -0.0386 0.00000
573 0.0371 0.00000
574 0.0344 0.00000
575 0.0218 0.00000
576 0.0292 0.00000
577 0.1277 0.00000
578 0.0636 0.00000
579 0.0059 0.00000
580 0.0223 0.00000
581 0.0722 0.00000
582 0.0307 0.00000
583 0.0167 0.00000
584 0.0808 0.00000
585 0.0200 0.00000
586 0.0173 0.00000
587 0.0651 0.00000
588 0.0296 0.00000
589 -0.2059 0.00000
590 0.0062 0.00000
591 -0.0233 0.00000
592 -0.0120 0.00000
593 -0.0346 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1951 0.00000
597 -0.2036 0.00000
598 -0.0300 0.00000
599 0.0249 0.00000
600 0.0337 0.00000
601 0.0446 0.00000
602 -0.0330 0.00000
603 -0.0037 0.00000
604 0.0326 0.00000
605 0.0749 0.00000
606 -0.1145 0.00000
607 -0.1149 0.00000
608 -0.0439 0.00000
609 -0.0010 0.00000
610 -0.0792 0.00000
611 -0.1380 0.00000
612 0.0004 0.00000
613 0.0333 0.00000
614 0.0322 0.00000
615 -0.1021 0.00000
616 0.0202 0.00000
617 -0.0284 0.00000
618 -0.0519 0.00000
619 0.0466 0.00000
620 0.0175 0.00000
621 -0.0376 0.00000
622 0.0939 0.00000
623 -0.0001 0.00000
624 -0.0033 0.00000
625 -0.0093 0.00000
626 -0.0579 0.00000
627 -0.0072 0.00000
628 0.0919 0.00000
629 -0.0297 0.00000
630 -0.0577 0.00000
631 -0.0086 0.00000
632 -0.0570 0.00000
633 -0.0197 0.00000
634 -0.0279 0.00000
635 -0.0481 0.00000
636 -0.0225 0.00000
637 -0.0693 0.00000
638 0.0138 0.00000
639 -0.0471 0.00000
640 0.0121 0.00000
641 -0.0132 0.00000
642 -0.0824 0.00000
643 0.0291 0.00000
644 -0.0606 0.00000
645 0.0013 0.00000
646 0.0237 0.00000
647 -0.0403 0.00000
648 -0.0339 0.00000
649 0.0231 0.00000
650 -0.1062 0.00000
651 0.0164 0.00000
652 -0.0252 0.00000
653 -0.0304 0.00000
654 -0.0043 0.00000
655 0.0109 0.00000
656 -0.0504 0.00000
657 0.0071 0.00000
658 0.0404 0.00000
659 -0.0030 0.00000
660 0.0533 0.00000
661 -0.0107 0.00000
662 -0.0343 0.00000
663 -0.0314 0.00000
664 -0.0135 0.00000
665 0.0328 0.00000
666 -0.0319 0.00000
667 -0.0366 0.00000
668 0.0038 0.00000
669 -0.0353 0.00000
670 -0.0460 0.00000
671 -0.0208 0.00000
672 -0.0958 0.00000
673 0.0261 0.00000
674 0.0288 0.00000
675 -0.0415 0.00000
676 0.0059 0.00000
677 -0.0623 0.00000
678 -0.0583 0.00000
679 0.0023 0.00000
680 -0.0044 0.00000
681 0.0238 0.00000
682 -0.0380 0.00000
683 -0.0190 0.00000
684 0.0165 0.00000
685 -0.0163 0.00000
686 -0.0310 0.00000
687 -0.0758 0.00000
688 -0.0520 0.00000
689 -0.0186 0.00000
690 0.0594 0.00000
691 -0.0107 0.00000
692 -0.0230 0.00000
693 -0.0148 0.00000
694 -0.0185 0.00000
695 -0.0112 0.00000
696 0.0276 0.00000
697 0.0835 0.00000
698 0.0042 0.00000
699 -0.0698 0.00000
700 -0.0241 0.00000
701 -0.0272 0.00000
702 -0.0156 0.00000
703 0.0249 0.00000
704 0.0107 0.00000
705 0.0002 0.00000
706 -0.0947 0.00000
707 0.0196 0.00000
708 -0.0185 0.00000
709 -0.0051 0.00000
710 -0.0413 0.00000
711 0.0014 0.00000
712 -0.0573 0.00000
713 0.0108 0.00000
714 0.0131 0.00000
715 -0.0174 0.00000
716 -0.0221 0.00000
717 -0.0113 0.00000
718 -0.0590 0.00000
719 -0.0183 0.00000
720 -0.0033 0.00000
721 -0.0712 0.00000
722 -0.0238 0.00000
723 0.0087 0.00000
724 -0.0403 0.00000
725 0.0026 0.00000
726 0.0176 0.00000
727 -0.0670 0.00000
728 -0.0250 0.00000
729 -0.0027 0.00000
730 -0.0257 0.00000
731 -0.0527 0.00000
732 0.0935 0.00000
733 0.0297 0.00000
734 -0.0359 0.00000
735 0.0538 0.00000
736 0.0323 0.00000
737 -0.0316 0.00000
738 -0.0308 0.00000
739 0.0043 0.00000
740 -0.0391 0.00000
741 0.0247 0.00000
742 -0.0332 0.00000
743 -0.0012 0.00000
744 -0.0225 0.00000
745 0.0157 0.00000
746 -0.0059 0.00000
747 -0.0222 0.00000
748 0.0051 0.00000
749 -0.0266 0.00000
750 -0.0015 0.00000
751 -0.0223 0.00000
752 -0.0276 0.00000
753 -0.0228 0.00000
754 0.0045 0.00000
755 0.0358 0.00000
756 0.0238 0.00000
757 -0.0028 0.00000
758 -0.0200 0.00000
759 -0.0695 0.00000
760 -0.0158 0.00000
761 -0.0073 0.00000
762 -0.0517 0.00000
763 -0.0249 0.00000
764 0.0080 0.00000
765 0.0142 0.00000
766 -0.0090 0.00000
767 0.0041 0.00000
768 -0.0295 0.00000
769 0.0369 0.00000
770 -0.0168 0.00000
771 0.0172 0.00000
772 0.0348 0.00000
773 -0.0469 0.00000
774 0.0176 0.00000
775 0.0130 0.00000
776 0.0267 0.00000
777 0.0107 0.00000
778 -0.0084 0.00000
779 -0.0078 0.00000
780 -0.0026 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0075 0.00000
4 -0.1962 0.00000
5 0.2431 0.00000
6 0.1258 0.00000
7 -0.0655 0.00000
8 0.0141 0.00000
9 0.4593 0.00000
10 0.2233 0.00000
11 -0.1998 0.00000
12 0.0601 0.00000
13 -0.0356 0.00000
14 -0.1456 0.00000
15 -1.0967 0.00000
16 0.0396 0.00000
17 0.0217 0.00000
18 0.1433 0.00000
19 0.0019 0.00000
20 -0.0346 0.00000
21 -0.1617 0.00000
22 0.2955 0.00000
23 0.0703 0.00000
24 0.1299 0.00000
25 0.6647 0.00000
26 0.2005 0.00000
27 0.1582 0.00000
28 0.3465 0.00000
29 -0.0296 0.00000
30 0.0234 0.00000
31 0.4292 0.00000
32 0.5319 0.00000
33 0.0671 0.00000
34 0.0867 0.00000
35 0.0293 0.00000
36 -0.3652 0.00000
37 0.3746 0.00000
38 0.0639 0.00000
39 -0.0815 0.00000
40 -0.0189 0.00000
41 -0.1813 0.00000
42 -0.0623 0.00000
43 0.1203 0.00000
44 -0.0525 0.00000
45 -0.6482 0.00000
46 0.0043 0.00000
47 -0.0775 0.00000
48 0.2137 0.00000
49 -0.0139 0.00000
50 0.2158 0.00000
51 0.0737 0.00000
52 0.1721 0.00000
53 -0.0214 0.00000
54 0.0462 0.00000
55 -0.0759 0.00000
56 0.2485 0.00000
57 -0.0871 0.00000
58 0.1104 0.00000
59 0.0871 0.00000
60 -0.7654 0.00000
61 -0.1931 0.00000
62 0.0287 0.00000
63 0.1014 0.00000
64 0.1178 0.00000
65 0.1442 0.00000
66 0.0074 0.00000
67 0.0881 0.00000
68 0.0029 0.00000
69 0.0248 0.00000
70 0.0447 0.00000
71 0.2143 0.00000
72 0.0570 0.00000
73 0.0326 0.00000
74 -0.0021 0.00000
75 -0.0091 0.00000
76 0.0475 0.00000
77 0.0162 0.00000
78 0.0526 0.00000
79 0.0503 0.00000
80 -0.0255 0.00000
81 0.0619 0.00000
82 0.1167 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3700 0.00000
89 -0.0513 0.00000
90 -0.3749 0.00000
91 -0.2676 0.00000
92 -0.2737 0.00000
93 0.0080 0.00000
94 0.0185 0.00000
95 -0.0029 0.00000
96 -0.0038 0.00000
97 -0.0801 0.00000
98 0.0654 0.00000
99 0.1291 0.00000
100 0.1556 0.00000
101 0.0004 0.00000
102 0.3147 0.00000
103 0.0744 0.00000
104 -0.0176 0.00000
105 -0.2135 0.00000
106 -0.0951 0.00000
107 -0.0162 0.00000
108 -0.0309 0.00000
109 0.1227 0.00000
110 0.0280 0.00000
111 0.1098 0.00000
112 0.0860 0.00000
113 0.1053 0.00000
114 -0.2384 0.00000
115 -0.1167 0.00000
116 -0.0967 0.00000
117 -0.1017 0.00000
118 0.0189 0.00000
119 0.0977 0.00000
120 0.0109 0.00000
121 0.3169 0.00000
122 -0.0721 0.00000
123 0.0444 0.00000
124 0.1744 0.00000
125 -0.2205 0.00000
126 -0.0495 0.00000
127 -0.0299 0.00000
128 -0.0907 0.00000
129 0.0573 0.00000
130 -0.1032 0.00000
131 0.1145 0.00000
132 0.0339 0.00000
133 -0.0659 0.00000
134 -0.4762 0.00000
135 -0.0086 0.00000
136 -0.0478 0.00000
137 -0.0041 0.00000
138 0.0481 0.00000
139 -0.0746 0.00000
140 -0.0067 0.00000
141 -0.1367 0.00000
142 0.0165 0.00000
143 -0.0152 0.00000
144 0.0168 0.00000
145 0.0223 0.00000
146 0.0142 0.00000
147 0.0060 0.00000
148 -0.0099 0.00000
149 0.2239 0.00000
150 0.0053 0.00000
151 0.2131 0.00000
152 0.0408 0.00000
153 -0.2327 0.00000
154 0.1706 0.00000
155 -0.0581 0.00000
156 -0.1237 0.00000
157 -0.0212 0.00000
158 0.1661 0.00000
159 0.1794 0.00000
160 0.0052 0.00000
161 -0.0834 0.00000
162 0.1195 0.00000
163 0.0292 0.00000
164 0.2042 0.00000
165 0.3878 0.00000
166 -0.0526 0.00000
167 -0.1302 0.00000
168 0.2389 0.00000
169 0.0598 0.00000
170 -0.0473 0.00000
171 0.0424 0.00000
172 0.3523 0.00000
173 -0.1213 0.00000
174 -0.1425 0.00000
175 0.0241 0.00000
176 0.2569 0.00000
177 -0.0161 0.00000
178 -0.0717 0.00000
179 -0.0417 0.00000
180 0.0763 0.00000
181 0.0430 0.00000
182 -0.1201 0.00000
183 -0.0369 0.00000
184 0.0016 0.00000
185 0.0175 0.00000
186 -0.0797 0.00000
187 0.0406 0.00000
188 -0.1310 0.00000
189 -0.2002 0.00000
190 -0.3589 0.00000
191 0.0318 0.00000
192 -0.0076 0.00000
193 0.0202 0.00000
194 0.0225 0.00000
195 0.1528 0.00000
196 0.0689 0.00000
197 0.0289 0.00000
198 0.0087 0.00000
199 -0.1484 0.00000
200 0.0282 0.00000
201 -0.0578 0.00000
202 -0.0348 0.00000
203 -0.0386 0.00000
204 -0.0749 0.00000
205 -0.0784 0.00000
206 0.0132 0.00000
207 0.0071 0.00000
208 0.0019 0.00000
209 0.1611 0.00000
210 -0.0601 0.00000
211 -0.2796 0.00000
212 0.0728 0.00000
213 0.0038 0.00000
214 0.1030 0.00000
215 0.0137 0.00000
216 0.0995 0.00000
217 0.1166 0.00000
218 0.0554 0.00000
219 0.1074 0.00000
220 0.1398 0.00000
221 0.1174 0.00000
222 -0.0031 0.00000
223 -0.0789 0.00000
224 0.0975 0.00000
225 0.0721 0.00000
226 0.0630 0.00000
227 -0.0100 0.00000
228 -0.0067 0.00000
229 0.1032 0.00000
230 0.0465 0.00000
231 -0.3144 0.00000
232 -0.0151 0.00000
233 -0.0240 0.00000
234 -0.0744 0.00000
235 -0.1641 0.00000
236 -0.1371 0.00000
237 -0.2179 0.00000
238 -0.0712 0.00000
239 -0.0490 0.00000
240 -0.1608 0.00000
241 0.0202 0.00000
242 0.0186 0.00000
243 -0.2023 0.00000
244 0.0764 0.00000
245 0.1230 0.00000
246 0.2389 0.00000
247 -0.0305 0.00000
248 0.4488 0.00000
249 0.1406 0.00000
250 0.1717 0.00000
251 -0.0708 0.00000
252 0.0280 0.00000
253 -0.0550 0.00000
254 -0.0510 0.00000
255 -0.0610 0.00000
256 0.2042 0.00000
257 -0.0468 0.00000
258 0.0150 0.00000
259 0.0758 0.00000
260 0.0086 0.00000
261 -0.0402 0.00000
262 -0.0110 0.00000
263 0.0370 0.00000
264 -0.0802 0.00000
265 -0.0432 0.00000
266 -0.0846 0.00000
267 -0.0084 0.00000
268 -0.0361 0.00000
269 -0.1814 0.00000
270 -0.1011 0.00000
271 -0.0769 0.00000
272 -0.0100 0.00000
273 0.0333 0.00000
274 0.0016 0.00000
275 -0.0861 0.00000
276 -0.0180 0.00000
277 0.0904 0.00000
278 -0.0290 0.00000
279 -0.0697 0.00000
280 0.1606 0.00000
281 -0.0069 0.00000
282 0.0644 0.00000
283 -0.0731 0.00000
284 0.0031 0.00000
285 -0.0832 0.00000
286 -0.0601 0.00000
287 0.0051 0.00000
288 -0.0467 0.00000
289 -0.0923 0.00000
290 0.0526 0.00000
291 0.0966 0.00000
292 -0.0314 0.00000
293 -0.0271 0.00000
294 0.0640 0.00000
295 0.0217 0.00000
296 0.0259 0.00000
297 -0.0446 0.00000
298 -0.1102 0.00000
299 0.0742 0.00000
300 -0.0555 0.00000
301 -0.0217 0.00000
302 0.0814 0.00000
303 -0.0935 0.00000
304 -0.1019 0.00000
305 0.0934 0.00000
306 -0.0160 0.00000
307 0.1361 0.00000
308 0.0069 0.00000
309 0.0318 0.00000
310 -0.0659 0.00000
311 -0.0036 0.00000
312 -0.0161 0.00000
313 0.0427 0.00000
314 0.1082 0.00000
315 0.0012 0.00000
316 -0.4522 0.00000
317 0.0155 0.00000
318 0.0120 0.00000
319 0.0770 0.00000
320 0.0354 0.00000
321 0.0896 0.00000
322 0.0637 0.00000
323 -0.1129 0.00000
324 -0.0067 0.00000
325 -0.0232 0.00000
326 0.0293 0.00000
327 0.0200 0.00000
328 -0.1487 0.00000
329 0.0906 0.00000
330 -0.0418 0.00000
331 0.0212 0.00000
332 0.0102 0.00000
333 -0.0279 0.00000
334 -0.0763 0.00000
335 0.0568 0.00000
336 -0.0301 0.00000
337 0.0428 0.00000
338 0.1971 0.00000
339 0.0439 0.00000
340 -0.0392 0.00000
341 -0.0242 0.00000
342 -0.0043 0.00000
343 0.0099 0.00000
344 -0.0440 0.00000
345 0.0584 0.00000
346 -0.0064 0.00000
347 0.0122 0.00000
348 0.0062 0.00000
349 -0.0277 0.00000
350 0.0015 0.00000
351 0.0250 0.00000
352 -0.0119 0.00000
353 0.0548 0.00000
354 0.0319 0.00000
355 0.0512 0.00000
356 -0.0068 0.00000
357 0.1137 0.00000
358 0.0199 0.00000
359 -0.0666 0.00000
360 -0.0561 0.00000
361 -0.0228 0.00000
362 0.0663 0.00000
363 0.0464 0.00000
364 -0.0264 0.00000
365 -0.0393 0.00000
366 0.0431 0.00000
367 0.0658 0.00000
368 -0.0088 0.00000
369 0.0586 0.00000
370 0.0078 0.00000
371 0.0643 0.00000
372 0.1022 0.00000
373 0.1138 0.00000
374 -0.0357 0.00000
375 0.0772 0.00000
376 0.0640 0.00000
377 -0.0113 0.00000
378 -0.0019 0.00000
379 -0.0069 0.00000
380 -0.0018 0.00000
381 -0.0011 0.00000
382 0.0358 0.00000
383 0.0444 0.00000
384 0.0652 0.00000
385 0.0492 0.00000
386 0.1747 0.00000
387 0.0418 0.00000
388 -0.0021 0.00000
389 0.1539 0.00000
390 0.0020 0.00000
391 0.0884 0.00000
392 -0.0547 0.00000
393 0.0305 0.00000
394 -0.0159 0.00000
395 0.0942 0.00000
396 0.0388 0.00000
397 0.0474 0.00000
398 -0.0174 0.00000
399 0.0928 0.00000
400 -0.1321 0.00000
401 0.0313 0.00000
402 -0.0323 0.00000
403 0.1159 0.00000
404 -0.0884 0.00000
405 -0.0015 0.00000
406 0.0486 0.00000
407 0.0089 0.00000
408 -0.0343 0.00000
409 -0.0092 0.00000
410 0.1285 0.00000
411 0.0458 0.00000
412 0.0660 0.00000
413 0.0282 0.00000
414 -0.0092 0.00000
415 0.1198 0.00000
416 0.0409 0.00000
417 0.0788 0.00000
418 -0.0994 0.00000
419 0.0261 0.00000
420 -0.0050 0.00000
421 0.0111 0.00000
422 -0.0783 0.00000
423 -0.0041 0.00000
424 -0.0145 0.00000
425 0.0504 0.00000
426 -0.0476 0.00000
427 -0.0153 0.00000
428 0.0297 0.00000
429 0.0310 0.00000
430 -0.0148 0.00000
431 -0.0248 0.00000
432 0.0446 0.00000
433 0.0167 0.00000
434 0.0010 0.00000
435 -0.0015 0.00000
436 -0.1136 0.00000
437 0.0272 0.00000
438 -0.0485 0.00000
439 -0.0116 0.00000
440 0.0007 0.00000
441 -0.0311 0.00000
442 0.0340 0.00000
443 0.0427 0.00000
444 -0.0531 0.00000
445 0.0668 0.00000
446 0.0271 0.00000
447 -0.0693 0.00000
448 -0.0264 0.00000
449 0.1227 0.00000
450 0.0939 0.00000
451 -0.0313 0.00000
452 0.0684 0.00000
453 0.1425 0.00000
454 -0.0309 0.00000
455 0.0641 0.00000
456 0.0267 0.00000
457 0.0082 0.00000
458 -0.0052 0.00000
459 0.0182 0.00000
460 -0.0094 0.00000
461 0.0311 0.00000
462 -0.2588 0.00000
463 -0.0043 0.00000
464 -0.0064 0.00000
465 0.0698 0.00000
466 -0.0101 0.00000
467 -0.0745 0.00000
468 0.1073 0.00000
469 -0.0086 0.00000
470 -0.0510 0.00000
471 0.0686 0.00000
472 0.0067 0.00000
473 0.0937 0.00000
474 -0.2208 0.00000
475 -0.2580 0.00000
476 0.0871 0.00000
477 0.0605 0.00000
478 0.1460 0.00000
479 -0.2429 0.00000
480 -0.0571 0.00000
481 0.0360 0.00000
482 0.3953 0.00000
483 -0.0009 0.00000
484 0.0073 0.00000
485 -0.0687 0.00000
486 -0.1062 0.00000
487 0.0410 0.00000
488 0.0536 0.00000
489 0.0069 0.00000
490 0.1086 0.00000
491 -0.0225 0.00000
492 0.0703 0.00000
493 0.0092 0.00000
494 0.0334 0.00000
495 -0.0223 0.00000
496 -0.0761 0.00000
497 -0.0546 0.00000
498 -0.0950 0.00000
499 -0.0097 0.00000
500 -0.0556 0.00000
501 -0.0444 0.00000
502 0.0153 0.00000
503 -0.0215 0.00000
504 -0.0512 0.00000
505 0.0965 0.00000
506 -0.0033 0.00000
507 0.0725 0.00000
508 -0.0325 0.00000
509 0.0891 0.00000
510 -0.0942 0.00000
511 -0.0516 0.00000
512 -0.0004 0.00000
513 0.2188 0.00000
514 -0.1640 0.00000
515 -0.0917 0.00000
516 -0.0009 0.00000
517 -0.0877 0.00000
518 0.0514 0.00000
519 -0.0330 0.00000
520 0.0769 0.00000
521 0.0087 0.00000
522 0.0499 0.00000
523 -0.0568 0.00000
524 0.0383 0.00000
525 -0.0266 0.00000
526 -0.0207 0.00000
527 -0.0179 0.00000
528 0.0338 0.00000
529 0.0839 0.00000
530 0.0324 0.00000
531 0.0492 0.00000
532 0.0345 0.00000
533 -0.0032 0.00000
534 0.1747 0.00000
535 -0.0996 0.00000
536 0.0610 0.00000
537 0.0700 0.00000
538 -0.0044 0.00000
539 0.0716 0.00000
540 0.0320 0.00000
541 0.0058 0.00000
542 0.0289 0.00000
543 0.0251 0.00000
544 0.0835 0.00000
545 -0.0131 0.00000
546 0.0432 0.00000
547 -0.0065 0.00000
548 0.0600 0.00000
549 -0.0001 0.00000
550 -0.0069 0.00000
551 0.0164 0.00000
552 -0.0297 0.00000
553 0.0074 0.00000
554 0.0270 0.00000
555 -0.0061 0.00000
556 0.1047 0.00000
557 0.0534 0.00000
558 -0.0377 0.00000
559 -0.0830 0.00000
560 0.1096 0.00000
561 0.1147 0.00000
562 -0.0482 0.00000
563 0.0194 0.00000
564 0.0605 0.00000
565 0.1264 0.00000
566 -0.2952 0.00000
567 0.0064 0.00000
568 0.0409 0.00000
569 0.0033 0.00000
570 0.0298 0.00000
571 0.0510 0.00000
572 -0.0926 0.00000
573 -0.0113 0.00000
574 0.0251 0.00000
575 0.0221 0.00000
576 0.0477 0.00000
577 0.0389 0.00000
578 0.0279 0.00000
579 0.0889 0.00000
580 0.0214 0.00000
581 0.0070 0.00000
582 0.1185 0.00000
583 0.0221 0.00000
584 0.0848 0.00000
585 0.0141 0.00000
586 0.0118 0.00000
587 0.0566 0.00000
588 0.0355 0.00000
589 -0.2046 0.00000
590 0.0051 0.00000
591 -0.0208 0.00000
592 -0.0152 0.00000
593 -0.0347 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1953 0.00000
597 -0.2038 0.00000
598 -0.0354 0.00000
599 0.0328 0.00000
600 0.0603 0.00000
601 0.0194 0.00000
602 -0.0317 0.00000
603 0.0322 0.00000
604 -0.0474 0.00000
605 -0.0102 0.00000
606 -0.0603 0.00000
607 -0.0151 0.00000
608 -0.0735 0.00000
609 -0.0834 0.00000
610 -0.1174 0.00000
611 0.0752 0.00000
612 -0.0254 0.00000
613 -0.0429 0.00000
614 -0.0335 0.00000
615 -0.0262 0.00000
616 -0.0908 0.00000
617 0.0094 0.00000
618 0.0988 0.00000
619 -0.0081 0.00000
620 0.0316 0.00000
621 0.0206 0.00000
622 0.0521 0.00000
623 -0.0729 0.00000
624 0.0046 0.00000
625 -0.0167 0.00000
626 0.0759 0.00000
627 0.0105 0.00000
628 0.0043 0.00000
629 -0.1241 0.00000
630 -0.0179 0.00000
631 -0.0711 0.00000
632 -0.0315 0.00000
633 0.0182 0.00000
634 0.0288 0.00000
635 -0.0844 0.00000
636 -0.1127 0.00000
637 -0.0513 0.00000
638 0.0735 0.00000
639 0.1071 0.00000
640 -0.0668 0.00000
641 -0.0305 0.00000
642 -0.0364 0.00000
643 -0.0127 0.00000
644 -0.0155 0.00000
645 -0.0348 0.00000
646 -0.0583 0.00000
647 -0.0127 0.00000
648 -0.0682 0.00000
649 -0.0194 0.00000
650 -0.0239 0.00000
651 -0.0982 0.00000
652 0.0981 0.00000
653 -0.0549 0.00000
654 -0.0279 0.00000
655 0.0146 0.00000
656 -0.0759 0.00000
657 0.0282 0.00000
658 -0.0035 0.00000
659 0.0007 0.00000
660 0.0647 0.00000
661 -0.0106 0.00000
662 -0.0630 0.00000
663 0.0231 0.00000
664 -0.0320 0.00000
665 -0.0665 0.00000
666 0.0291 0.00000
667 0.0044 0.00000
668 -0.0147 0.00000
669 0.0069 0.00000
670 -0.0528 0.00000
671 0.0052 0.00000
672 -0.0401 0.00000
673 -0.0280 0.00000
674 0.0014 0.00000
675 -0.0017 0.00000
676 -0.0025 0.00000
677 -0.1272 0.00000
678 -0.0706 0.00000
679 -0.0179 0.00000
680 0.0012 0.00000
681 0.0365 0.00000
682 -0.0701 0.00000
683 -0.0003 0.00000
684 -0.0723 0.00000
685 0.0151 0.00000
686 -0.0053 0.00000
687 -0.0173 0.00000
688 -0.0083 0.00000
689 -0.0349 0.00000
690 0.0192 0.00000
691 -0.0476 0.00000
692 0.0850 0.00000
693 -0.0096 0.00000
694 0.0049 0.00000
695 0.0195 0.00000
696 -0.0755 0.00000
697 0.0281 0.00000
698 0.0395 0.00000
699 0.0179 0.00000
700 0.0834 0.00000
701 -0.0823 0.00000
702 -0.0066 0.00000
703 0.0172 0.00000
704 0.0326 0.00000
705 -0.0851 0.00000
706 -0.0538 0.00000
707 -0.0785 0.00000
708 -0.0122 0.00000
709 0.0156 0.00000
710 -0.0242 0.00000
711 0.0133 0.00000
712 0.0463 0.00000
713 -0.0681 0.00000
714 0.0384 0.00000
715 0.0211 0.00000
716 -0.0461 0.00000
717 0.0040 0.00000
718 -0.0525 0.00000
719 -0.0060 0.00000
720 -0.0154 0.00000
721 -0.0322 0.00000
722 0.0203 0.00000
723 -0.0113 0.00000
724 -0.0391 0.00000
725 -0.0289 0.00000
726 -0.0007 0.00000
727 0.0114 0.00000
728 -0.0007 0.00000
729 0.0078 0.00000
730 0.0166 0.00000
731 -0.0419 0.00000
732 -0.0045 0.00000
733 -0.0590 0.00000
734 -0.0746 0.00000
735 0.0135 0.00000
736 -0.0818 0.00000
737 -0.0104 0.00000
738 -0.0046 0.00000
739 0.0280 0.00000
740 -0.0385 0.00000
741 0.0173 0.00000
742 -0.0191 0.00000
743 -0.0204 0.00000
744 -0.0099 0.00000
745 -0.0284 0.00000
746 0.0012 0.00000
747 -0.0512 0.00000
748 -0.0264 0.00000
749 -0.0222 0.00000
750 -0.0258 0.00000
751 -0.0557 0.00000
752 -0.0049 0.00000
753 0.0144 0.00000
754 0.0140 0.00000
755 0.0058 0.00000
756 -0.0513 0.00000
757 0.0280 0.00000
758 -0.0337 0.00000
759 -0.0162 0.00000
760 0.0345 0.00000
761 0.0000 0.00000
762 0.0226 0.00000
763 0.0287 0.00000
764 0.0045 0.00000
765 -0.0317 0.00000
766 -0.0044 0.00000
767 0.0019 0.00000
768 0.0254 0.00000
769 0.0144 0.00000
770 -0.0234 0.00000
771 -0.0288 0.00000
772 0.0256 0.00000
773 0.0248 0.00000
774 0.0091 0.00000
775 -0.0490 0.00000
776 0.0149 0.00000
777 0.0603 0.00000
778 0.0050 0.00000
779 0.0081 0.00000
780 -0.0114 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0074 0.00000
4 -0.1975 0.00000
5 0.2439 0.00000
6 0.1292 0.00000
7 -0.0694 0.00000
8 0.0160 0.00000
9 0.4622 0.00000
10 0.2190 0.00000
11 -0.2022 0.00000
12 0.0634 0.00000
13 -0.0351 0.00000
14 -0.1465 0.00000
15 -1.0993 0.00000
16 0.0336 0.00000
17 0.0592 0.00000
18 0.1183 0.00000
19 -0.0154 0.00000
20 -0.0312 0.00000
21 -0.1610 0.00000
22 0.2741 0.00000
23 0.0984 0.00000
24 0.1395 0.00000
25 0.6937 0.00000
26 0.1396 0.00000
27 0.1785 0.00000
28 0.1502 0.00000
29 -0.0549 0.00000
30 0.1301 0.00000
31 0.5717 0.00000
32 0.5762 0.00000
33 0.0659 0.00000
34 0.1139 0.00000
35 0.0198 0.00000
36 -0.4971 0.00000
37 0.2361 0.00000
38 0.0442 0.00000
39 -0.0186 0.00000
40 0.2743 0.00000
41 -0.0829 0.00000
42 -0.1610 0.00000
43 0.1217 0.00000
44 -0.6506 0.00000
45 -0.0377 0.00000
46 0.0209 0.00000
47 -0.3586 0.00000
48 0.4034 0.00000
49 0.0449 0.00000
50 -0.0145 0.00000
51 0.1415 0.00000
52 0.1538 0.00000
53 -0.0247 0.00000
54 0.0477 0.00000
55 0.0625 0.00000
56 0.2795 0.00000
57 -0.0882 0.00000
58 -0.0269 0.00000
59 -0.5887 0.00000
60 0.1103 0.00000
61 -0.0387 0.00000
62 -0.2634 0.00000
63 0.0073 0.00000
64 0.0638 0.00000
65 0.1253 0.00000
66 0.0693 0.00000
67 0.0680 0.00000
68 0.1186 0.00000
69 -0.0211 0.00000
70 0.2125 0.00000
71 0.0516 0.00000
72 0.0567 0.00000
73 0.0295 0.00000
74 -0.0085 0.00000
75 -0.0075 0.00000
76 0.0409 0.00000
77 0.0200 0.00000
78 0.0535 0.00000
79 0.0530 0.00000
80 -0.0259 0.00000
81 0.0619 0.00000
82 0.1167 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3698 0.00000
89 -0.0493 0.00000
90 -0.3836 0.00000
91 -0.1385 0.00000
92 -0.3916 0.00000
93 0.0076 0.00000
94 0.0188 0.00000
95 -0.0075 0.00000
96 0.0121 0.00000
97 -0.0849 0.00000
98 0.1164 0.00000
99 0.1897 0.00000
100 0.0059 0.00000
101 0.0319 0.00000
102 0.3511 0.00000
103 -0.0892 0.00000
104 0.1011 0.00000
105 -0.1978 0.00000
106 -0.0986 0.00000
107 -0.0214 0.00000
108 0.0358 0.00000
109 0.0041 0.00000
110 0.0125 0.00000
111 0.1326 0.00000
112 0.0877 0.00000
113 0.1158 0.00000
114 -0.1156 0.00000
115 -0.1421 0.00000
116 -0.1902 0.00000
117 -0.0560 0.00000
118 0.0076 0.00000
119 0.0981 0.00000
120 0.0205 0.00000
121 0.1916 0.00000
122 0.0178 0.00000
123 0.1147 0.00000
124 0.1002 0.00000
125 -0.2022 0.00000
126 -0.0636 0.00000
127 -0.0271 0.00000
128 -0.0739 0.00000
129 0.0470 0.00000
130 -0.1111 0.00000
131 0.1707 0.00000
132 -0.0343 0.00000
133 0.0184 0.00000
134 -0.5359 0.00000
135 -0.0100 0.00000
136 -0.0293 0.00000
137 -0.0348 0.00000
138 0.0748 0.00000
139 -0.0730 0.00000
140 -0.0275 0.00000
141 -0.1335 0.00000
142 0.0181 0.00000
143 -0.0127 0.00000
144 0.0189 0.00000
145 0.0202 0.00000
146 0.0165 0.00000
147 0.0052 0.00000
148 -0.0500 0.00000
149 0.2803 0.00000
150 0.0224 0.00000
151 0.1471 0.00000
152 -0.2888 0.00000
153 0.2045 0.00000
154 0.1430 0.00000
155 0.0806 0.00000
156 -0.2501 0.00000
157 -0.0125 0.00000
158 -0.1171 0.00000
159 0.0814 0.00000
160 0.1738 0.00000
161 0.0510 0.00000
162 0.0178 0.00000
163 0.4387 0.00000
164 0.3093 0.00000
165 0.0234 0.00000
166 -0.0899 0.00000
167 0.2347 0.00000
168 0.0323 0.00000
169 -0.2323 0.00000
170 -0.0640 0.00000
171 0.0334 0.00000
172 0.0326 0.00000
173 0.1490 0.00000
174 0.1595 0.00000
175 -0.0011 0.00000
176 0.0818 0.00000
177 0.1323 0.00000
178 -0.1440 0.00000
179 -0.0503 0.00000
180 0.0069 0.00000
181 0.2879 0.00000
182 -0.1085 0.00000
183 -0.0006 0.00000
184 -0.0665 0.00000
185 -0.0704 0.00000
186 0.0508 0.00000
187 -0.1164 0.00000
188 -0.5448 0.00000
189 -0.0040 0.00000
190 0.0819 0.00000
191 -0.0668 0.00000
192 0.0652 0.00000
193 -0.0402 0.00000
194 -0.0564 0.00000
195 0.0532 0.00000
196 0.0294 0.00000
197 0.0014 0.00000
198 0.0205 0.00000
199 -0.1149 0.00000
200 0.0316 0.00000
201 -0.0370 0.00000
202 -0.0257 0.00000
203 -0.0792 0.00000
204 -0.1413 0.00000
205 0.0129 0.00000
206 0.0004 0.00000
207 0.0877 0.00000
208 0.0197 0.00000
209 -0.0371 0.00000
210 -0.0491 0.00000
211 0.0076 0.00000
212 0.0211 0.00000
213 -0.0097 0.00000
214 0.0289 0.00000
215 0.0476 0.00000
216 0.0472 0.00000
217 0.1269 0.00000
218 0.1035 0.00000
219 0.1165 0.00000
220 0.0040 0.00000
221 0.1733 0.00000
222 0.0216 0.00000
223 0.0117 0.00000
224 0.0193 0.00000
225 0.0662 0.00000
226 0.0540 0.00000
227 -0.0001 0.00000
228 -0.0020 0.00000
229 0.1041 0.00000
230 0.0403 0.00000
231 -0.3172 0.00000
232 -0.0137 0.00000
233 -0.0241 0.00000
234 -0.0771 0.00000
235 -0.1868 0.00000
236 -0.0881 0.00000
237 -0.1734 0.00000
238 -0.1805 0.00000
239 -0.0709 0.00000
240 -0.1358 0.00000
241 -0.0404 0.00000
242 0.1000 0.00000
243 -0.0477 0.00000
244 0.0211 0.00000
245 0.1499 0.00000
246 -0.1130 0.00000
247 0.2619 0.00000
248 0.7935 0.00000
249 -0.0757 0.00000
250 -0.0625 0.00000
251 -0.1157 0.00000
252 0.0206 0.00000
253 0.0087 0.00000
254 -0.0687 0.00000
255 0.0454 0.00000
256 0.0406 0.00000
257 -0.0471 0.00000
258 0.1486 0.00000
259 -0.0017 0.00000
260 0.0138 0.00000
261 0.0128 0.00000
262 -0.0172 0.00000
263 -0.0190 0.00000
264 0.0193 0.00000
265 -0.0404 0.00000
266 -0.0928 0.00000
267 -0.0217 0.00000
268 -0.0555 0.00000
269 -0.0528 0.00000
270 -0.1500 0.00000
271 -0.0371 0.00000
272 -0.3746 0.00000
273 0.0812 0.00000
274 -0.1465 0.00000
275 0.2419 0.00000
276 0.1301 0.00000
277 -0.0718 0.00000
278 -0.0425 0.00000
279 0.1473 0.00000
280 -0.0197 0.00000
281 -0.0222 0.00000
282 -0.0070 0.00000
283 -0.0240 0.00000
284 0.0136 0.00000
285 0.0368 0.00000
286 0.1052 0.00000
287 -0.0111 0.00000
288 -0.0257 0.00000
289 -0.0844 0.00000
290 -0.2251 0.00000
291 0.0769 0.00000
292 0.0249 0.00000
293 0.0821 0.00000
294 0.0017 0.00000
295 -0.0557 0.00000
296 -0.0524 0.00000
297 -0.0886 0.00000
298 0.0385 0.00000
299 0.0840 0.00000
300 0.0655 0.00000
301 -0.0293 0.00000
302 -0.1995 0.00000
303 -0.0076 0.00000
304 -0.0461 0.00000
305 0.0638 0.00000
306 0.0642 0.00000
307 0.0238 0.00000
308 0.0602 0.00000
309 -0.0022 0.00000
310 -0.0302 0.00000
311 0.0206 0.00000
312 0.0231 0.00000
313 -0.2400 0.00000
314 -0.0165 0.00000
315 -0.0346 0.00000
316 0.0152 0.00000
317 0.0645 0.00000
318 0.0926 0.00000
319 0.0512 0.00000
320 -0.0468 0.00000
321 -0.1682 0.00000
322 0.0036 0.00000
323 0.0736 0.00000
324 0.0238 0.00000
325 0.0735 0.00000
326 0.0757 0.00000
327 0.0083 0.00000
328 -0.1008 0.00000
329 -0.0579 0.00000
330 -0.0356 0.00000
331 -0.0640 0.00000
332 -0.0578 0.00000
333 0.0066 0.00000
334 -0.0121 0.00000
335 0.0677 0.00000
336 0.0113 0.00000
337 0.1015 0.00000
338 0.0137 0.00000
339 -0.0202 0.00000
340 0.1060 0.00000
341 -0.0189 0.00000
342 0.0215 0.00000
343 -0.0328 0.00000
344 0.0055 0.00000
345 -0.0274 0.00000
346 0.0090 0.00000
347 0.0420 0.00000
348 0.0340 0.00000
349 0.0519 0.00000
350 -0.1002 0.00000
351 0.0514 0.00000
352 0.0728 0.00000
353 0.0600 0.00000
354 0.0071 0.00000
355 -0.0107 0.00000
356 -0.0297 0.00000
357 0.0067 0.00000
358 -0.0236 0.00000
359 0.0013 0.00000
360 0.0375 0.00000
361 -0.0405 0.00000
362 -0.1034 0.00000
363 0.0709 0.00000
364 0.0765 0.00000
365 -0.0296 0.00000
366 0.0459 0.00000
367 0.0248 0.00000
368 0.1082 0.00000
369 0.0425 0.00000
370 -0.0236 0.00000
371 0.0166 0.00000
372 0.1283 0.00000
373 0.0687 0.00000
374 0.0621 0.00000
375 0.0011 0.00000
376 0.0646 0.00000
377 0.0346 0.00000
378 0.0932 0.00000
379 0.0221 0.00000
380 0.0956 0.00000
381 0.0236 0.00000
382 -0.0000 0.00000
383 0.0397 0.00000
384 0.0257 0.00000
385 -0.0127 0.00000
386 0.0352 0.00000
387 0.1700 0.00000
388 0.0947 0.00000
389 0.1436 0.00000
390 -0.0106 0.00000
391 -0.0098 0.00000
392 -0.1241 0.00000
393 0.0351 0.00000
394 0.0257 0.00000
395 0.0377 0.00000
396 0.0521 0.00000
397 -0.0836 0.00000
398 0.0938 0.00000
399 -0.0649 0.00000
400 0.0233 0.00000
401 0.0041 0.00000
402 -0.0713 0.00000
403 -0.0073 0.00000
404 -0.0079 0.00000
405 -0.0489 0.00000
406 0.0062 0.00000
407 0.0802 0.00000
408 0.1416 0.00000
409 0.0094 0.00000
410 0.0919 0.00000
411 0.0823 0.00000
412 -0.0294 0.00000
413 0.0322 0.00000
414 -0.0069 0.00000
415 0.1017 0.00000
416 0.0260 0.00000
417 -0.0001 0.00000
418 -0.0308 0.00000
419 0.0504 0.00000
420 0.0430 0.00000
421 -0.0169 0.00000
422 0.0779 0.00000
423 0.0172 0.00000
424 -0.0166 0.00000
425 0.0414 0.00000
426 -0.1002 0.00000
427 0.0333 0.00000
428 0.0418 0.00000
429 0.0409 0.00000
430 -0.0544 0.00000
431 -0.0027 0.00000
432 -0.0450 0.00000
433 -0.0042 0.00000
434 0.0058 0.00000
435 -0.0787 0.00000
436 0.0264 0.00000
437 -0.0337 0.00000
438 0.0681 0.00000
439 0.0481 0.00000
440 -0.1453 0.00000
441 -0.0245 0.00000
442 0.0000 0.00000
443 -0.0855 0.00000
444 -0.0832 0.00000
445 0.0455 0.00000
446 0.0090 0.00000
447 0.0755 0.00000
448 0.0966 0.00000
449 0.0456 0.00000
450 0.0297 0.00000
451 -0.0610 0.00000
452 0.2244 0.00000
453 0.0224 0.00000
454 -0.0150 0.00000
455 0.0037 0.00000
456 0.0127 0.00000
457 0.1269 0.00000
458 -0.0427 0.00000
459 0.1044 0.00000
460 -0.0120 0.00000
461 -0.0289 0.00000
462 -0.0291 0.00000
463 0.0272 0.00000
464 -0.0130 0.00000
465 -0.0150 0.00000
466 0.0833 0.00000
467 0.0287 0.00000
468 -0.1730 0.00000
469 0.0335 0.00000
470 0.0078 0.00000
471 -0.0923 0.00000
472 -0.0806 0.00000
473 -0.0306 0.00000
474 -0.1612 0.00000
475 -0.0283 0.00000
476 -0.0972 0.00000
477 0.0034 0.00000
478 -0.1145 0.00000
479 0.0854 0.00000
480 -0.0658 0.00000
481 0.1946 0.00000
482 -0.0190 0.00000
483 0.1256 0.00000
484 0.0988 0.00000
485 0.0896 0.00000
486 -0.0149 0.00000
487 -0.0872 0.00000
488 0.0604 0.00000
489 -0.0034 0.00000
490 -0.1196 0.00000
491 0.1001 0.00000
492 -0.0037 0.00000
493 -0.0621 0.00000
494 0.0002 0.00000
495 0.0363 0.00000
496 0.1422 0.00000
497 0.0452 0.00000
498 -0.1145 0.00000
499 0.0208 0.00000
500 0.1079 0.00000
501 0.0070 0.00000
502 -0.0552 0.00000
503 -0.0175 0.00000
504 -0.0217 0.00000
505 -0.0276 0.00000
506 -0.1306 0.00000
507 -0.0299 0.00000
508 0.0068 0.00000
509 0.0541 0.00000
510 0.0124 0.00000
511 0.0497 0.00000
512 -0.0080 0.00000
513 0.0326 0.00000
514 -0.1346 0.00000
515 -0.0618 0.00000
516 -0.0066 0.00000
517 0.0960 0.00000
518 0.0025 0.00000
519 -0.0168 0.00000
520 -0.0432 0.00000
521 -0.1161 0.00000
522 0.0647 0.00000
523 0.0326 0.00000
524 0.0256 0.00000
525 0.0558 0.00000
526 -0.0162 0.00000
527 -0.0299 0.00000
528 0.0683 0.00000
529 -0.0191 0.00000
530 -0.0213 0.00000
531 0.0944 0.00000
532 -0.0540 0.00000
533 -0.0189 0.00000
534 0.1245 0.00000
535 -0.0857 0.00000
536 0.1048 0.00000
537 0.0214 0.00000
538 0.0233 0.00000
539 0.1445 0.00000
540 -0.0135 0.00000
541 0.0911 0.00000
542 0.0685 0.00000
543 0.0599 0.00000
544 0.0242 0.00000
545 0.0003 0.00000
546 0.0658 0.00000
547 0.0135 0.00000
548 0.0019 0.00000
549 0.0967 0.00000
550 -0.0957 0.00000
551 -0.0305 0.00000
552 0.0837 0.00000
553 -0.0823 0.00000
554 0.0098 0.00000
555 -0.0162 0.00000
556 -0.0528 0.00000
557 0.2097 0.00000
558 -0.0572 0.00000
559 0.0101 0.00000
560 0.1103 0.00000
561 -0.0029 0.00000
562 0.0988 0.00000
563 0.0701 0.00000
564 -0.0053 0.00000
565 0.0168 0.00000
566 -0.2366 0.00000
567 -0.0426 0.00000
568 0.0790 0.00000
569 -0.0246 0.00000
570 0.0277 0.00000
571 -0.0607 0.00000
572 -0.0269 0.00000
573 0.0470 0.00000
574 0.0426 0.00000
575 0.0787 0.00000
576 0.0830 0.00000
577 0.0312 0.00000
578 0.0182 0.00000
579 0.0466 0.00000
580 0.0526 0.00000
581 0.0312 0.00000
582 0.0139 0.00000
583 0.0482 0.00000
584 0.0848 0.00000
585 0.0090 0.00000
586 0.0220 0.00000
587 0.0571 0.00000
588 0.0332 0.00000
589 -0.2063 0.00000
590 0.0182 0.00000
591 -0.0375 0.00000
592 -0.0099 0.00000
593 -0.0359 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1955 0.00000
597 -0.2043 0.00000
598 -0.0722 0.00000
599 0.0753 0.00000
600 0.1371 0.00000
601 0.0079 0.00000
602 -0.1639 0.00000
603 -0.0431 0.00000
604 0.0590 0.00000
605 -0.0236 0.00000
606 0.0980 0.00000
607 -0.1104 0.00000
608 -0.0619 0.00000
609 -0.1834 0.00000
610 -0.0930 0.00000
611 -0.0341 0.00000
612 0.0591 0.00000
613 0.1053 0.00000
614 -0.0087 0.00000
615 -0.0309 0.00000
616 -0.0257 0.00000
617 0.0166 0.00000
618 0.0918 0.00000
619 -0.0731 0.00000
620 -0.0659 0.00000
621 0.0383 0.00000
622 -0.0872 0.00000
623 0.0612 0.00000
624 0.0221 0.00000
625 -0.0542 0.00000
626 -0.0292 0.00000
627 -0.0566 0.00000
628 -0.0654 0.00000
629 -0.0088 0.00000
630 0.0428 0.00000
631 -0.0640 0.00000
632 -0.0128 0.00000
633 0.0462 0.00000
634 -0.0597 0.00000
635 -0.0037 0.00000
636 -0.0629 0.00000
637 0.0035 0.00000
638 -0.0427 0.00000
639 -0.0344 0.00000
640 0.0281 0.00000
641 -0.0164 0.00000
642 0.0417 0.00000
643 0.0443 0.00000
644 0.0254 0.00000
645 -0.0520 0.00000
646 0.0054 0.00000
647 -0.0006 0.00000
648 -0.0871 0.00000
649 -0.0155 0.00000
650 -0.1104 0.00000
651 -0.0421 0.00000
652 -0.0214 0.00000
653 -0.0328 0.00000
654 0.0598 0.00000
655 0.0017 0.00000
656 0.0136 0.00000
657 -0.0730 0.00000
658 0.0031 0.00000
659 -0.0796 0.00000
660 0.0048 0.00000
661 -0.0114 0.00000
662 -0.0616 0.00000
663 -0.0069 0.00000
664 0.0036 0.00000
665 0.0197 0.00000
666 0.0088 0.00000
667 -0.0461 0.00000
668 -0.0145 0.00000
669 -0.0423 0.00000
670 -0.0139 0.00000
671 0.0510 0.00000
672 -0.0726 0.00000
673 -0.0271 0.00000
674 -0.0258 0.00000
675 0.0134 0.00000
676 -0.0537 0.00000
677 -0.0086 0.00000
678 0.0070 0.00000
679 0.0021 0.00000
680 0.0142 0.00000
681 0.0456 0.00000
682 -0.0356 0.00000
683 -0.0421 0.00000
684 -0.0724 0.00000
685 0.0117 0.00000
686 -0.0564 0.00000
687 -0.0095 0.00000
688 -0.0050 0.00000
689 -0.0144 0.00000
690 0.0597 0.00000
691 -0.0322 0.00000
692 -0.0332 0.00000
693 0.0658 0.00000
694 0.0107 0.00000
695 -0.0163 0.00000
696 -0.0876 0.00000
697 0.0352 0.00000
698 -0.0457 0.00000
699 0.0163 0.00000
700 -0.0191 0.00000
701 -0.0053 0.00000
702 0.0011 0.00000
703 -0.0644 0.00000
704 -0.0273 0.00000
705 -0.0133 0.00000
706 -0.0210 0.00000
707 0.0128 0.00000
708 -0.0310 0.00000
709 -0.0968 0.00000
710 -0.0157 0.00000
711 -0.0142 0.00000
712 -0.0938 0.00000
713 -0.0752 0.00000
714 -0.0010 0.00000
715 0.0118 0.00000
716 0.0376 0.00000
717 -0.0687 0.00000
718 -0.0180 0.00000
719 -0.0184 0.00000
720 -0.0200 0.00000
721 0.0038 0.00000
722 0.0093 0.00000
723 -0.0120 0.00000
724 0.0395 0.00000
725 -0.0290 0.00000
726 0.0300 0.00000
727 -0.0396 0.00000
728 -0.1219 0.00000
729 -0.0033 0.00000
730 0.0674 0.00000
731 -0.0437 0.00000
732 -0.0439 0.00000
733 0.0012 0.00000
734 -0.0147 0.00000
735 0.0052 0.00000
736 0.0431 0.00000
737 0.0015 0.00000
738 0.0165 0.00000
739 0.0433 0.00000
740 0.0420 0.00000
741 -0.0430 0.00000
742 -0.0237 0.00000
743 0.0092 0.00000
744 -0.0196 0.00000
745 -0.0204 0.00000
746 0.0348 0.00000
747 0.0235 0.00000
748 -0.0280 0.00000
749 0.0119 0.00000
750 -0.0461 0.00000
751 0.0237 0.00000
752 -0.0148 0.00000
753 -0.0444 0.00000
754 -0.0303 0.00000
755 -0.0257 0.00000
756 -0.0210 0.00000
757 -0.0137 0.00000
758 0.0000 0.00000
759 0.0005 0.00000
760 -0.0427 0.00000
761 -0.0211 0.00000
762 0.0215 0.00000
763 0.0388 0.00000
764 0.0047 0.00000
765 -0.0450 0.00000
766 -0.0408 0.00000
767 0.0370 0.00000
768 -0.0239 0.00000
769 -0.0210 0.00000
770 -0.0351 0.00000
771 -0.0358 0.00000
772 -0.0193 0.00000
773 0.0024 0.00000
774 0.0902 0.00000
775 0.0718 0.00000
776 0.0157 0.00000
777 0.0326 0.00000
778 0.0633 0.00000
779 -0.0406 0.00000
780 0.0461 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0075 0.00000
4 -0.1884 0.00000
5 0.2347 0.00000
6 0.1286 0.00000
7 -0.0676 0.00000
8 0.0144 0.00000
9 0.4601 0.00000
10 0.2226 0.00000
11 -0.2000 0.00000
12 0.0597 0.00000
13 -0.0349 0.00000
14 -0.1463 0.00000
15 -1.0966 0.00000
16 0.0355 0.00000
17 0.0876 0.00000
18 0.0884 0.00000
19 0.0100 0.00000
20 -0.0427 0.00000
21 -0.1615 0.00000
22 0.2665 0.00000
23 0.0930 0.00000
24 0.0391 0.00000
25 0.8183 0.00000
26 0.2519 0.00000
27 0.1429 0.00000
28 0.1369 0.00000
29 0.0111 0.00000
30 0.0547 0.00000
31 0.4055 0.00000
32 0.7253 0.00000
33 0.0545 0.00000
34 0.0930 0.00000
35 0.0204 0.00000
36 -0.5799 0.00000
37 0.3060 0.00000
38 0.0413 0.00000
39 -0.0190 0.00000
40 0.3625 0.00000
41 -0.2437 0.00000
42 -0.2166 0.00000
43 0.1218 0.00000
44 -0.2789 0.00000
45 -0.2950 0.00000
46 0.0290 0.00000
47 -0.3926 0.00000
48 0.3372 0.00000
49 0.2042 0.00000
50 -0.0436 0.00000
51 0.0860 0.00000
52 0.2020 0.00000
53 -0.0234 0.00000
54 0.0507 0.00000
55 0.0169 0.00000
56 0.2571 0.00000
57 -0.0853 0.00000
58 0.1249 0.00000
59 -0.5427 0.00000
60 0.0485 0.00000
61 -0.4395 0.00000
62 -0.0487 0.00000
63 0.0709 0.00000
64 0.1681 0.00000
65 0.1429 0.00000
66 0.0093 0.00000
67 -0.0193 0.00000
68 0.1086 0.00000
69 0.0267 0.00000
70 0.0466 0.00000
71 0.2117 0.00000
72 0.0569 0.00000
73 0.0321 0.00000
74 -0.0021 0.00000
75 -0.0089 0.00000
76 0.0475 0.00000
77 0.0158 0.00000
78 0.0525 0.00000
79 0.0511 0.00000
80 -0.0258 0.00000
81 0.0620 0.00000
82 0.1167 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3700 0.00000
89 -0.0514 0.00000
90 -0.3754 0.00000
91 -0.2656 0.00000
92 -0.2752 0.00000
93 0.0074 0.00000
94 0.0159 0.00000
95 0.0008 0.00000
96 -0.0134 0.00000
97 -0.0783 0.00000
98 0.0640 0.00000
99 0.1773 0.00000
100 0.1074 0.00000
101 0.0437 0.00000
102 0.3082 0.00000
103 -0.0338 0.00000
104 0.0525 0.00000
105 -0.2418 0.00000
106 -0.0499 0.00000
107 -0.0199 0.00000
108 0.0851 0.00000
109 0.0108 0.00000
110 0.0174 0.00000
111 0.0608 0.00000
112 0.1422 0.00000
113 0.0315 0.00000
114 -0.1875 0.00000
115 -0.0783 0.00000
116 -0.0994 0.00000
117 -0.1118 0.00000
118 0.0250 0.00000
119 0.0160 0.00000
120 0.0819 0.00000
121 0.2823 0.00000
122 -0.0619 0.00000
123 0.1496 0.00000
124 0.0718 0.00000
125 -0.1996 0.00000
126 -0.0688 0.00000
127 -0.0229 0.00000
128 -0.0782 0.00000
129 0.0581 0.00000
130 -0.0710 0.00000
131 0.0636 0.00000
132 0.0430 0.00000
133 -0.0342 0.00000
134 -0.4992 0.00000
135 -0.0097 0.00000
136 -0.0482 0.00000
137 -0.0042 0.00000
138 0.0491 0.00000
139 -0.0589 0.00000
140 -0.0299 0.00000
141 -0.1346 0.00000
142 0.0172 0.00000
143 -0.0125 0.00000
144 0.0194 0.00000
145 0.0217 0.00000
146 0.0142 0.00000
147 0.0060 0.00000
148 -0.0361 0.00000
149 0.2614 0.00000
150 0.0061 0.00000
151 0.2223 0.00000
152 0.0305 0.00000
153 -0.2086 0.00000
154 0.1152 0.00000
155 0.1799 0.00000
156 -0.2683 0.00000
157 0.0474 0.00000
158 0.0060 0.00000
159 0.0729 0.00000
160 -0.0929 0.00000
161 0.1571 0.00000
162 0.1459 0.00000
163 0.0654 0.00000
164 0.2767 0.00000
165 0.0269 0.00000
166 -0.1880 0.00000
167 0.4064 0.00000
168 -0.0451 0.00000
169 -0.0133 0.00000
170 -0.0289 0.00000
171 -0.0425 0.00000
172 0.3889 0.00000
173 0.1049 0.00000
174 -0.0546 0.00000
175 0.1837 0.00000
176 0.0057 0.00000
177 -0.2456 0.00000
178 0.0186 0.00000
179 0.0543 0.00000
180 0.0238 0.00000
181 -0.0296 0.00000
182 0.1696 0.00000
183 -0.0445 0.00000
184 -0.0046 0.00000
185 -0.0213 0.00000
186 -0.0539 0.00000
187 -0.1253 0.00000
188 -0.4501 0.00000
189 -0.2230 0.00000
190 0.0954 0.00000
191 -0.0085 0.00000
192 0.1132 0.00000
193 -0.1102 0.00000
194 0.0601 0.00000
195 0.0541 0.00000
196 0.1842 0.00000
197 -0.0850 0.00000
198 -0.0296 0.00000
199 -0.0866 0.00000
200 0.0238 0.00000
201 -0.0381 0.00000
202 -0.0891 0.00000
203 -0.0542 0.00000
204 -0.0688 0.00000
205 0.0346 0.00000
206 0.0471 0.00000
207 0.0024 0.00000
208 -0.0277 0.00000
209 -0.0380 0.00000
210 0.1117 0.00000
211 -0.2294 0.00000
212 0.0265 0.00000
213 0.0635 0.00000
214 0.0318 0.00000
215 0.0458 0.00000
216 0.0996 0.00000
217 0.0470 0.00000
218 0.1072 0.00000
219 0.0603 0.00000
220 0.0692 0.00000
221 0.1754 0.00000
222 0.0355 0.00000
223 -0.0612 0.00000
224 0.0677 0.00000
225 0.0722 0.00000
226 0.0685 0.00000
227 -0.0093 0.00000
228 -0.0069 0.00000
229 0.1051 0.00000
230 0.0461 0.00000
231 -0.3156 0.00000
232 -0.0152 0.00000
233 -0.0236 0.00000
234 -0.0756 0.00000
235 -0.2047 0.00000
236 -0.0791 0.00000
237 -0.2105 0.00000
238 -0.1094 0.00000
239 -0.0148 0.00000
240 -0.1460 0.00000
241 -0.0259 0.00000
242 -0.0236 0.00000
243 -0.0473 0.00000
244 -0.0201 0.00000
245 0.1151 0.00000
246 0.1724 0.00000
247 -0.0269 0.00000
248 0.5828 0.00000
249 0.0589 0.00000
250 0.1620 0.00000
251 -0.0839 0.00000
252 0.0102 0.00000
253 -0.0180 0.00000
254 -0.0019 0.00000
255 -0.0053 0.00000
256 0.0727 0.00000
257 -0.0715 0.00000
258 0.1234 0.00000
259 0.0044 0.00000
260 0.0563 0.00000
261 -0.0395 0.00000
262 -0.0230 0.00000
263 0.0003 0.00000
264 0.0204 0.00000
265 -0.0707 0.00000
266 -0.1118 0.00000
267 -0.0535 0.00000
268 -0.1036 0.00000
269 -0.1101 0.00000
270 -0.0301 0.00000
271 -0.0511 0.00000
272 -0.2373 0.00000
273 0.1217 0.00000
274 0.2206 0.00000
275 -0.0221 0.00000
276 -0.0132 0.00000
277 -0.1189 0.00000
278 -0.0412 0.00000
279 -0.0402 0.00000
280 -0.0398 0.00000
281 0.1264 0.00000
282 -0.0336 0.00000
283 0.0716 0.00000
284 -0.0033 0.00000
285 -0.0483 0.00000
286 -0.0040 0.00000
287 -0.0108 0.00000
288 -0.0432 0.00000
289 -0.0239 0.00000
290 0.0729 0.00000
291 -0.1010 0.00000
292 -0.1061 0.00000
293 0.0382 0.00000
294 -0.0292 0.00000
295 0.0345 0.00000
296 -0.0000 0.00000
297 0.0874 0.00000
298 -0.1549 0.00000
299 0.0005 0.00000
300 0.0881 0.00000
301 -0.0446 0.00000
302 0.0472 0.00000
303 -0.0365 0.00000
304 -0.0619 0.00000
305 0.0372 0.00000
306 -0.0362 0.00000
307 0.1553 0.00000
308 -0.0243 0.00000
309 0.0095 0.00000
310 0.0045 0.00000
311 0.0475 0.00000
312 -0.0903 0.00000
313 0.0103 0.00000
314 -0.0988 0.00000
315 0.1614 0.00000
316 -0.2857 0.00000
317 -0.0127 0.00000
318 0.0154 0.00000
319 0.0513 0.00000
320 0.0529 0.00000
321 -0.0156 0.00000
322 0.1049 0.00000
323 -0.0529 0.00000
324 -0.0100 0.00000
325 0.0540 0.00000
326 0.0212 0.00000
327 0.0717 0.00000
328 -0.0794 0.00000
329 -0.0659 0.00000
330 -0.1612 0.00000
331 0.0073 0.00000
332 0.0191 0.00000
333 0.0275 0.00000
334 -0.0650 0.00000
335 0.0005 0.00000
336 0.1001 0.00000
337 -0.0161 0.00000
338 0.1352 0.00000
339 -0.0015 0.00000
340 -0.0047 0.00000
341 0.0034 0.00000
342 -0.0261 0.00000
343 0.0097 0.00000
344 0.0572 0.00000
345 0.0078 0.00000
346 -0.0189 0.00000
347 0.0085 0.00000
348 0.0050 0.00000
349 0.0027 0.00000
350 -0.0396 0.00000
351 0.1055 0.00000
352 0.0773 0.00000
353 0.0554 0.00000
354 -0.0631 0.00000
355 0.0329 0.00000
356 0.0165 0.00000
357 0.0396 0.00000
358 -0.1116 0.00000
359 -0.0069 0.00000
360 0.0850 0.00000
361 -0.0515 0.00000
362 0.0237 0.00000
363 -0.0071 0.00000
364 0.0287 0.00000
365 0.0098 0.00000
366 -0.0539 0.00000
367 0.0712 0.00000
368 0.0193 0.00000
369 0.0233 0.00000
370 0.0589 0.00000
371 0.1796 0.00000
372 0.0715 0.00000
373 -0.0133 0.00000
374 0.0220 0.00000
375 0.0314 0.00000
376 0.1248 0.00000
377 -0.0021 0.00000
378 0.0394 0.00000
379 -0.0383 0.00000
380 0.0382 0.00000
381 -0.0143 0.00000
382 -0.0481 0.00000
383 0.1729 0.00000
384 0.0890 0.00000
385 0.0292 0.00000
386 0.0420 0.00000
387 0.0583 0.00000
388 0.0872 0.00000
389 -0.0747 0.00000
390 0.1069 0.00000
391 0.0439 0.00000
392 0.0164 0.00000
393 -0.0094 0.00000
394 -0.0790 0.00000
395 0.0703 0.00000
396 0.0531 0.00000
397 0.0646 0.00000
398 0.0584 0.00000
399 -0.0030 0.00000
400 -0.0333 0.00000
401 0.0809 0.00000
402 -0.0409 0.00000
403 -0.0624 0.00000
404 -0.0075 0.00000
405 0.0746 0.00000
406 0.0156 0.00000
407 0.0540 0.00000
408 0.1378 0.00000
409 -0.0894 0.00000
410 -0.0118 0.00000
411 0.1038 0.00000
412 0.0552 0.00000
413 0.0494 0.00000
414 0.0624 0.00000
415 0.0443 0.00000
416 -0.0017 0.00000
417 -0.0639 0.00000
418 0.0068 0.00000
419 0.0260 0.00000
420 0.0461 0.00000
421 0.0199 0.00000
422 0.0415 0.00000
423 -0.0414 0.00000
424 0.0173 0.00000
425 -0.0411 0.00000
426 -0.0199 0.00000
427 0.0118 0.00000
428 -0.0274 0.00000
429 0.0290 0.00000
430 -0.0190 0.00000
431 -0.0828 0.00000
432 -0.0044 0.00000
433 -0.0209 0.00000
434 0.0105 0.00000
435 0.0118 0.00000
436 -0.0061 0.00000
437 -0.0790 0.00000
438 -0.0038 0.00000
439 -0.0471 0.00000
440 0.0189 0.00000
441 0.0926 0.00000
442 0.0860 0.00000
443 0.0322 0.00000
444 -0.1240 0.00000
445 0.0258 0.00000
446 0.1620 0.00000
447 0.0455 0.00000
448 -0.0363 0.00000
449 0.0766 0.00000
450 0.1308 0.00000
451 -0.0387 0.00000
452 0.0107 0.00000
453 -0.0187 0.00000
454 -0.0219 0.00000
455 0.0057 0.00000
456 -0.0089 0.00000
457 -0.0541 0.00000
458 0.1377 0.00000
459 0.0307 0.00000
460 -0.1551 0.00000
461 0.0192 0.00000
462 -0.2089 0.00000
463 0.0105 0.00000
464 0.0467 0.00000
465 0.0424 0.00000
466 -0.0181 0.00000
467 -0.0050 0.00000
468 -0.1602 0.00000
469 0.0602 0.00000
470 0.1292 0.00000
471 0.1476 0.00000
472 0.0212 0.00000
473 -0.0608 0.00000
474 -0.0287 0.00000
475 -0.1315 0.00000
476 -0.0278 0.00000
477 0.0020 0.00000
478 0.0394 0.00000
479 -0.0828 0.00000
480 0.0181 0.00000
481 0.2648 0.00000
482 0.1235 0.00000
483 -0.1033 0.00000
484 0.0334 0.00000
485 -0.0846 0.00000
486 -0.2756 0.00000
487 0.0543 0.00000
488 0.1593 0.00000
489 0.0277 0.00000
490 0.0643 0.00000
491 -0.0532 0.00000
492 -0.0123 0.00000
493 -0.0012 0.00000
494 -0.0240 0.00000
495 0.2174 0.00000
496 -0.0084 0.00000
497 -0.0713 0.00000
498 -0.0656 0.00000
499 -0.0873 0.00000
500 -0.0279 0.00000
501 0.0181 0.00000
502 0.0372 0.00000
503 0.0311 0.00000
504 -0.0497 0.00000
505 0.0256 0.00000
506 0.0064 0.00000
507 0.0107 0.00000
508 -0.1371 0.00000
509 0.0225 0.00000
510 0.1123 0.00000
511 -0.0552 0.00000
512 -0.0448 0.00000
513 -0.1240 0.00000
514 0.1733 0.00000
515 -0.1075 0.00000
516 -0.0716 0.00000
517 0.0324 0.00000
518 0.0676 0.00000
519 0.0092 0.00000
520 -0.0014 0.00000
521 0.0292 0.00000
522 -0.0797 0.00000
523 0.0100 0.00000
524 -0.0168 0.00000
525 0.0240 0.00000
526 0.0086 0.00000
527 -0.0087 0.00000
528 0.0214 0.00000
529 -0.0429 0.00000
530 0.0333 0.00000
531 0.0766 0.00000
532 -0.0055 0.00000
533 0.0559 0.00000
534 0.0600 0.00000
535 -0.0259 0.00000
536 0.0838 0.00000
537 -0.0220 0.00000
538 0.0419 0.00000
539 0.1438 0.00000
540 0.0819 0.00000
541 0.0488 0.00000
542 -0.0002 0.00000
543 0.0254 0.00000
544 0.0623 0.00000
545 0.0521 0.00000
546 0.0079 0.00000
547 0.0275 0.00000
548 -0.0337 0.00000
549 -0.0102 0.00000
550 -0.0595 0.00000
551 -0.0411 0.00000
552 0.1479 0.00000
553 -0.0611 0.00000
554 0.1444 0.00000
555 -0.0328 0.00000
556 0.0069 0.00000
557 -0.0051 0.00000
558 -0.0068 0.00000
559 -0.0467 0.00000
560 0.0795 0.00000
561 0.1222 0.00000
562 -0.0566 0.00000
563 0.1193 0.00000
564 -0.0564 0.00000
565 0.2059 0.00000
566 -0.2361 0.00000
567 -0.0661 0.00000
568 0.0311 0.00000
569 0.0522 0.00000
570 -0.0109 0.00000
571 -0.0116 0.00000
572 -0.0398 0.00000
573 0.0184 0.00000
574 0.0032 0.00000
575 0.0238 0.00000
576 0.0447 0.00000
577 0.0933 0.00000
578 0.0508 0.00000
579 0.0386 0.00000
580 -0.0045 0.00000
581 0.0186 0.00000
582 0.1133 0.00000
583 0.0254 0.00000
584 0.0887 0.00000
585 0.0098 0.00000
586 0.0087 0.00000
587 0.0614 0.00000
588 0.0316 0.00000
589 -0.2056 0.00000
590 0.0048 0.00000
591 -0.0213 0.00000
592 -0.0137 0.00000
593 -0.0343 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1954 0.00000
597 -0.2038 0.00000
598 -0.0358 0.00000
599 0.0397 0.00000
600 0.0082 0.00000
601 0.0637 0.00000
602 -0.0318 0.00000
603 0.0473 0.00000
604 -0.0324 0.00000
605 -0.0246 0.00000
606 0.0001 0.00000
607 -0.0717 0.00000
608 -0.0951 0.00000
609 -0.0357 0.00000
610 -0.1173 0.00000
611 -0.0311 0.00000
612 -0.0357 0.00000
613 0.0080 0.00000
614 -0.0804 0.00000
615 -0.0256 0.00000
616 0.0914 0.00000
617 0.0677 0.00000
618 0.0666 0.00000
619 0.0142 0.00000
620 -0.0589 0.00000
621 -0.0839 0.00000
622 0.0074 0.00000
623 0.0053 0.00000
624 -0.1094 0.00000
625 0.0317 0.00000
626 -0.0484 0.00000
627 0.0362 0.00000
628 -0.0202 0.00000
629 0.0425 0.00000
630 -0.0404 0.00000
631 -0.0172 0.00000
632 0.0039 0.00000
633 -0.0110 0.00000
634 -0.0632 0.00000
635 -0.0363 0.00000
636 0.0321 0.00000
637 -0.0527 0.00000
638 -0.0210 0.00000
639 -0.0916 0.00000
640 -0.0186 0.00000
641 0.0497 0.00000
642 -0.0270 0.00000
643 -0.0040 0.00000
644 -0.0353 0.00000
645 0.0153 0.00000
646 -0.0403 0.00000
647 0.0034 0.00000
648 0.0109 0.00000
649 -0.0388 0.00000
650 -0.1681 0.00000
651 0.0165 0.00000
652 -0.0525 0.00000
653 -0.0206 0.00000
654 -0.0170 0.00000
655 0.1600 0.00000
656 -0.0513 0.00000
657 -0.0261 0.00000
658 0.0164 0.00000
659 -0.0310 0.00000
660 -0.0135 0.00000
661 0.0569 0.00000
662 -0.0122 0.00000
663 -0.0668 0.00000
664 -0.0131 0.00000
665 0.0267 0.00000
666 0.0171 0.00000
667 -0.0250 0.00000
668 -0.0101 0.00000
669 0.0621 0.00000
670 -0.0664 0.00000
671 -0.0706 0.00000
672 -0.0758 0.00000
673 -0.0172 0.00000
674 -0.0317 0.00000
675 -0.0305 0.00000
676 -0.0622 0.00000
677 -0.0390 0.00000
678 0.0077 0.00000
679 -0.0455 0.00000
680 -0.0360 0.00000
681 0.0039 0.00000
682 0.0378 0.00000
683 0.0037 0.00000
684 -0.0029 0.00000
685 -0.0054 0.00000
686 -0.0246 0.00000
687 -0.0309 0.00000
688 0.0656 0.00000
689 -0.0412 0.00000
690 -0.0285 0.00000
691 -0.0425 0.00000
692 0.0575 0.00000
693 0.0124 0.00000
694 -0.0426 0.00000
695 -0.0029 0.00000
696 -0.1090 0.00000
697 0.0072 0.00000
698 -0.0175 0.00000
699 -0.0058 0.00000
700 0.0019 0.00000
701 -0.0137 0.00000
702 0.0159 0.00000
703 -0.1596 0.00000
704 -0.0152 0.00000
705 0.0033 0.00000
706 -0.0002 0.00000
707 -0.0263 0.00000
708 0.0093 0.00000
709 -0.0351 0.00000
710 -0.0238 0.00000
711 0.0209 0.00000
712 0.0897 0.00000
713 0.0298 0.00000
714 -0.0150 0.00000
715 -0.0094 0.00000
716 -0.0763 0.00000
717 -0.0096 0.00000
718 -0.0891 0.00000
719 -0.0253 0.00000
720 -0.0004 0.00000
721 -0.0577 0.00000
722 0.0394 0.00000
723 -0.0505 0.00000
724 0.0434 0.00000
725 -0.0162 0.00000
726 -0.0577 0.00000
727 0.0195 0.00000
728 0.0501 0.00000
729 0.0270 0.00000
730 0.0097 0.00000
731 -0.0289 0.00000
732 0.0357 0.00000
733 -0.0258 0.00000
734 -0.0018 0.00000
735 0.0602 0.00000
736 0.0306 0.00000
737 -0.0476 0.00000
738 -0.0426 0.00000
739 -0.0054 0.00000
740 -0.0786 0.00000
741 -0.0053 0.00000
742 -0.0766 0.00000
743 -0.0389 0.00000
744 0.0236 0.00000
745 0.0107 0.00000
746 0.0179 0.00000
747 -0.0225 0.00000
748 -0.0390 0.00000
749 -0.0462 0.00000
750 0.0156 0.00000
751 0.0489 0.00000
752 -0.0303 0.00000
753 0.0269 0.00000
754 -0.0491 0.00000
755 0.0234 0.00000
756 0.0219 0.00000
757 -0.0034 0.00000
758 -0.0715 0.00000
759 -0.0099 0.00000
760 -0.0562 0.00000
761 -0.0271 0.00000
762 0.0080 0.00000
763 -0.0071 0.00000
764 -0.0167 0.00000
765 0.0431 0.00000
766 0.0670 0.00000
767 0.0073 0.00000
768 -0.0986 0.00000
769 -0.1012 0.00000
770 0.0412 0.00000
771 -0.0539 0.00000
772 0.0167 0.00000
773 -0.0100 0.00000
774 -0.0032 0.00000
775 -0.0192 0.00000
776 0.0564 0.00000
777 0.0488 0.00000
778 -0.0296 0.00000
779 0.0287 0.00000
780 0.0647 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0074 0.00000
4 -0.2047 0.00000
5 0.2517 0.00000
6 0.1275 0.00000
7 -0.0683 0.00000
8 0.0156 0.00000
9 0.4621 0.00000
10 0.2219 0.00000
11 -0.2021 0.00000
12 0.0602 0.00000
13 -0.0352 0.00000
14 -0.1460 0.00000
15 -1.0996 0.00000
16 0.0395 0.00000
17 0.0228 0.00000
18 0.1384 0.00000
19 0.0187 0.00000
20 -0.0524 0.00000
21 -0.1607 0.00000
22 0.2924 0.00000
23 0.0775 0.00000
24 0.3545 0.00000
25 0.4312 0.00000
26 0.1688 0.00000
27 0.1404 0.00000
28 0.3281 0.00000
29 -0.0554 0.00000
30 0.0306 0.00000
31 0.6344 0.00000
32 0.4181 0.00000
33 0.0585 0.00000
34 0.0880 0.00000
35 0.0291 0.00000
36 -0.3554 0.00000
37 0.3622 0.00000
38 0.0638 0.00000
39 -0.1011 0.00000
40 -0.0180 0.00000
41 -0.1423 0.00000
42 0.0149 0.00000
43 0.1189 0.00000
44 0.0411 0.00000
45 -0.9562 0.00000
46 0.1449 0.00000
47 -0.0821 0.00000
48 0.2187 0.00000
49 0.0924 0.00000
50 0.1035 0.00000
51 0.0853 0.00000
52 0.1385 0.00000
53 -0.0029 0.00000
54 -0.0514 0.00000
55 0.1116 0.00000
56 0.1620 0.00000
57 -0.0919 0.00000
58 0.1201 0.00000
59 0.0787 0.00000
60 -0.7726 0.00000
61 -0.1154 0.00000
62 0.0224 0.00000
63 0.0219 0.00000
64 0.0694 0.00000
65 0.1715 0.00000
66 0.0150 0.00000
67 0.0500 0.00000
68 0.1180 0.00000
69 -0.0191 0.00000
70 0.2131 0.00000
71 0.0529 0.00000
72 0.0568 0.00000
73 0.0291 0.00000
74 -0.0101 0.00000
75 -0.0050 0.00000
76 0.0438 0.00000
77 0.0154 0.00000
78 0.0541 0.00000
79 0.0535 0.00000
80 -0.0257 0.00000
81 0.0619 0.00000
82 0.1167 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3699 0.00000
89 -0.0473 0.00000
90 -0.3800 0.00000
91 -0.2714 0.00000
92 -0.2665 0.00000
93 0.0083 0.00000
94 0.0209 0.00000
95 -0.0140 0.00000
96 0.0344 0.00000
97 -0.0967 0.00000
98 0.0902 0.00000
99 0.1252 0.00000
100 0.1240 0.00000
101 -0.0128 0.00000
102 0.3698 0.00000
103 -0.0646 0.00000
104 0.0641 0.00000
105 -0.3114 0.00000
106 0.0250 0.00000
107 0.0272 0.00000
108 -0.0425 0.00000
109 0.0271 0.00000
110 0.0789 0.00000
111 0.1116 0.00000
112 0.0796 0.00000
113 0.1356 0.00000
114 -0.1424 0.00000
115 -0.2662 0.00000
116 -0.0669 0.00000
117 -0.0878 0.00000
118 0.0096 0.00000
119 0.0770 0.00000
120 0.0262 0.00000
121 0.2334 0.00000
122 0.0201 0.00000
123 0.0484 0.00000
124 0.0259 0.00000
125 -0.0900 0.00000
126 -0.0541 0.00000
127 -0.0210 0.00000
128 -0.0869 0.00000
129 0.0421 0.00000
130 -0.0873 0.00000
131 0.1608 0.00000
132 -0.0191 0.00000
133 -0.0025 0.00000
134 -0.5383 0.00000
135 -0.0089 0.00000
136 -0.0476 0.00000
137 -0.0117 0.00000
138 0.0639 0.00000
139 -0.0833 0.00000
140 -0.0049 0.00000
141 -0.1354 0.00000
142 0.0179 0.00000
143 -0.0165 0.00000
144 0.0168 0.00000
145 0.0207 0.00000
146 0.0163 0.00000
147 0.0054 0.00000
148 -0.0358 0.00000
149 0.2498 0.00000
150 0.0052 0.00000
151 0.2950 0.00000
152 0.0499 0.00000
153 -0.3345 0.00000
154 0.1749 0.00000
155 -0.0046 0.00000
156 0.0064 0.00000
157 -0.1485 0.00000
158 0.0400 0.00000
159 0.0614 0.00000
160 0.0679 0.00000
161 0.0543 0.00000
162 0.1101 0.00000
163 0.0562 0.00000
164 0.3927 0.00000
165 -0.1981 0.00000
166 0.2079 0.00000
167 0.1425 0.00000
168 -0.1178 0.00000
169 0.2665 0.00000
170 0.0196 0.00000
171 0.1007 0.00000
172 0.1048 0.00000
173 -0.1166 0.00000
174 0.0414 0.00000
175 -0.0557 0.00000
176 0.0400 0.00000
177 0.0857 0.00000
178 0.0204 0.00000
179 0.1525 0.00000
180 -0.0672 0.00000
181 -0.1367 0.00000
182 -0.0059 0.00000
183 0.0580 0.00000
184 0.0588 0.00000
185 -0.0865 0.00000
186 0.0238 0.00000
187 0.0123 0.00000
188 -0.5530 0.00000
189 0.0367 0.00000
190 -0.0002 0.00000
191 -0.1192 0.00000
192 -0.0763 0.00000
193 0.0284 0.00000
194 -0.0619 0.00000
195 0.1578 0.00000
196 0.0926 0.00000
197 0.0346 0.00000
198 -0.0143 0.00000
199 -0.1215 0.00000
200 0.0504 0.00000
201 0.0150 0.00000
202 -0.0900 0.00000
203 -0.1117 0.00000
204 -0.0717 0.00000
205 -0.0675 0.00000
206 0.0623 0.00000
207 0.0372 0.00000
208 0.0689 0.00000
209 -0.0642 0.00000
210 0.0028 0.00000
211 -0.2009 0.00000
212 0.0359 0.00000
213 0.0558 0.00000
214 0.0456 0.00000
215 -0.0165 0.00000
216 0.1521 0.00000
217 0.0535 0.00000
218 0.1237 0.00000
219 0.0393 0.00000
220 0.2222 0.00000
221 0.0560 0.00000
222 0.0269 0.00000
223 -0.0580 0.00000
224 0.0632 0.00000
225 0.0737 0.00000
226 0.0573 0.00000
227 -0.0070 0.00000
228 0.0003 0.00000
229 0.1048 0.00000
230 0.0401 0.00000
231 -0.3140 0.00000
232 -0.0134 0.00000
233 -0.0244 0.00000
234 -0.0752 0.00000
235 -0.1816 0.00000
236 -0.0857 0.00000
237 -0.1746 0.00000
238 -0.1687 0.00000
239 -0.1424 0.00000
240 -0.0435 0.00000
241 -0.0220 0.00000
242 -0.0804 0.00000
243 0.1139 0.00000
244 0.0106 0.00000
245 -0.0994 0.00000
246 -0.1149 0.00000
247 0.4575 0.00000
248 0.7871 0.00000
249 -0.0411 0.00000
250 -0.0907 0.00000
251 0.0233 0.00000
252 -0.0389 0.00000
253 -0.0381 0.00000
254 -0.0225 0.00000
255 -0.0652 0.00000
256 0.0259 0.00000
257 0.1178 0.00000
258 0.0196 0.00000
259 -0.0046 0.00000
260 0.0973 0.00000
261 -0.0429 0.00000
262 0.0057 0.00000
263 -0.0125 0.00000
264 -0.0091 0.00000
265 -0.0315 0.00000
266 -0.1409 0.00000
267 0.0210 0.00000
268 0.0178 0.00000
269 -0.1744 0.00000
270 -0.0397 0.00000
271 0.0370 0.00000
272 -0.5285 0.00000
273 0.0593 0.00000
274 -0.0156 0.00000
275 0.0871 0.00000
276 -0.0436 0.00000
277 0.0034 0.00000
278 -0.0341 0.00000
279 -0.0333 0.00000
280 0.3032 0.00000
281 0.0853 0.00000
282 -0.0751 0.00000
283 0.0671 0.00000
284 0.0127 0.00000
285 0.0069 0.00000
286 -0.0770 0.00000
287 -0.0421 0.00000
288 -0.0181 0.00000
289 0.0156 0.00000
290 -0.0261 0.00000
291 -0.0656 0.00000
292 -0.0167 0.00000
293 0.0252 0.00000
294 0.0588 0.00000
295 -0.0242 0.00000
296 -0.0199 0.00000
297 0.0042 0.00000
298 -0.1682 0.00000
299 0.0835 0.00000
300 0.0547 0.00000
301 -0.0228 0.00000
302 -0.1397 0.00000
303 0.0494 0.00000
304 -0.0381 0.00000
305 0.1736 0.00000
306 0.0720 0.00000
307 -0.0328 0.00000
308 -0.1041 0.00000
309 -0.0772 0.00000
310 -0.0071 0.00000
311 0.0639 0.00000
312 -0.0313 0.00000
313 -0.0123 0.00000
314 0.0563 0.00000
315 -0.3561 0.00000
316 0.1592 0.00000
317 0.0284 0.00000
318 -0.0404 0.00000
319 0.2264 0.00000
320 -0.0173 0.00000
321 -0.1524 0.00000
322 -0.0548 0.00000
323 0.0715 0.00000
324 0.0920 0.00000
325 -0.1562 0.00000
326 0.0350 0.00000
327 0.0209 0.00000
328 0.0425 0.00000
329 0.0198 0.00000
330 -0.0186 0.00000
331 0.0214 0.00000
332 -0.0225 0.00000
333 -0.0193 0.00000
334 -0.0609 0.00000
335 0.0027 0.00000
336 -0.0504 0.00000
337 0.1849 0.00000
338 0.0634 0.00000
339 -0.0356 0.00000
340 -0.0321 0.00000
341 0.0520 0.00000
342 -0.0557 0.00000
343 -0.0117 0.00000
344 -0.0172 0.00000
345 0.0658 0.00000
346 0.0002 0.00000
347 -0.0029 0.00000
348 -0.0512 0.00000
349 0.0299 0.00000
350 -0.0444 0.00000
351 0.0691 0.00000
352 -0.0040 0.00000
353 0.0917 0.00000
354 0.0195 0.00000
355 -0.0498 0.00000
356 -0.0343 0.00000
357 0.0410 0.00000
358 0.1139 0.00000
359 0.0676 0.00000
360 0.0331 0.00000
361 -0.0518 0.00000
362 0.0287 0.00000
363 0.0015 0.00000
364 -0.0244 0.00000
365 0.0067 0.00000
366 -0.0011 0.00000
367 -0.0211 0.00000
368 -0.0191 0.00000
369 0.0322 0.00000
370 0.0436 0.00000
371 0.0005 0.00000
372 0.0137 0.00000
373 0.3076 0.00000
374 0.0334 0.00000
375 0.1084 0.00000
376 0.0125 0.00000
377 -0.0153 0.00000
378 0.0217 0.00000
379 -0.0062 0.00000
380 -0.0122 0.00000
381 0.0479 0.00000
382 0.1346 0.00000
383 0.0044 0.00000
384 0.0523 0.00000
385 0.0123 0.00000
386 0.1517 0.00000
387 0.0458 0.00000
388 0.0400 0.00000
389 0.0073 0.00000
390 0.0514 0.00000
391 0.0422 0.00000
392 0.0237 0.00000
393 0.0348 0.00000
394 0.2096 0.00000
395 -0.0635 0.00000
396 0.0259 0.00000
397 -0.0104 0.00000
398 0.0142 0.00000
399 -0.1454 0.00000
400 -0.0840 0.00000
401 -0.0195 0.00000
402 0.0359 0.00000
403 0.0290 0.00000
404 0.0353 0.00000
405 0.0435 0.00000
406 0.0238 0.00000
407 0.0142 0.00000
408 0.0492 0.00000
409 0.0346 0.00000
410 0.0080 0.00000
411 0.0903 0.00000
412 0.0136 0.00000
413 0.0241 0.00000
414 0.0790 0.00000
415 -0.0077 0.00000
416 0.1376 0.00000
417 -0.0300 0.00000
418 0.1357 0.00000
419 0.0283 0.00000
420 0.0013 0.00000
421 -0.0342 0.00000
422 0.0174 0.00000
423 -0.0099 0.00000
424 -0.0258 0.00000
425 0.0159 0.00000
426 -0.0547 0.00000
427 -0.0082 0.00000
428 -0.0368 0.00000
429 0.0094 0.00000
430 -0.0477 0.00000
431 -0.0190 0.00000
432 0.0684 0.00000
433 -0.0453 0.00000
434 0.0347 0.00000
435 -0.0124 0.00000
436 0.0195 0.00000
437 0.0360 0.00000
438 0.0117 0.00000
439 -0.2715 0.00000
440 -0.0518 0.00000
441 0.0026 0.00000
442 0.0089 0.00000
443 0.0182 0.00000
444 0.0092 0.00000
445 -0.0546 0.00000
446 0.0419 0.00000
447 0.0117 0.00000
448 0.0680 0.00000
449 -0.0387 0.00000
450 0.1172 0.00000
451 -0.0093 0.00000
452 0.1390 0.00000
453 -0.0126 0.00000
454 0.0114 0.00000
455 0.0443 0.00000
456 0.0489 0.00000
457 0.0571 0.00000
458 -0.0066 0.00000
459 0.0301 0.00000
460 -0.0069 0.00000
461 -0.0117 0.00000
462 0.0904 0.00000
463 0.0026 0.00000
464 -0.1338 0.00000
465 0.0001 0.00000
466 -0.0505 0.00000
467 0.0767 0.00000
468 -0.0641 0.00000
469 -0.0680 0.00000
470 -0.0310 0.00000
471 0.1922 0.00000
472 -0.3509 0.00000
473 0.1843 0.00000
474 -0.0296 0.00000
475 0.1477 0.00000
476 0.0211 0.00000
477 -0.0272 0.00000
478 -0.0099 0.00000
479 -0.0681 0.00000
480 0.0007 0.00000
481 -0.0334 0.00000
482 0.0069 0.00000
483 -0.0585 0.00000
484 0.0332 0.00000
485 0.0197 0.00000
486 0.0201 0.00000
487 -0.0771 0.00000
488 0.3192 0.00000
489 -0.0007 0.00000
490 -0.0126 0.00000
491 0.0370 0.00000
492 -0.0385 0.00000
493 -0.2981 0.00000
494 0.1026 0.00000
495 -0.0107 0.00000
496 0.0746 0.00000
497 -0.0303 0.00000
498 -0.1296 0.00000
499 0.0467 0.00000
500 -0.0318 0.00000
501 0.0062 0.00000
502 -0.0366 0.00000
503 0.1278 0.00000
504 0.0043 0.00000
505 -0.0472 0.00000
506 -0.1078 0.00000
507 -0.0837 0.00000
508 0.1318 0.00000
509 0.0294 0.00000
510 0.0099 0.00000
511 -0.0750 0.00000
512 0.0470 0.00000
513 -0.0068 0.00000
514 -0.0738 0.00000
515 0.0439 0.00000
516 -0.0357 0.00000
517 0.0501 0.00000
518 0.0302 0.00000
519 0.0692 0.00000
520 -0.0649 0.00000
521 0.0045 0.00000
522 0.0406 0.00000
523 -0.0084 0.00000
524 -0.0703 0.00000
525 0.0183 0.00000
526 -0.1351 0.00000
527 0.0575 0.00000
528 0.0109 0.00000
529 0.0469 0.00000
530 0.0527 0.00000
531 0.0348 0.00000
532 -0.0008 0.00000
533 0.0236 0.00000
534 0.0945 0.00000
535 0.1018 0.00000
536 0.0929 0.00000
537 -0.0468 0.00000
538 0.0339 0.00000
539 0.0261 0.00000
540 0.0762 0.00000
541 0.0570 0.00000
542 0.0150 0.00000
543 0.0092 0.00000
544 0.1251 0.00000
545 0.0492 0.00000
546 -0.0379 0.00000
547 -0.0271 0.00000
548 -0.0455 0.00000
549 0.0111 0.00000
550 0.0103 0.00000
551 0.0756 0.00000
552 -0.1382 0.00000
553 -0.0730 0.00000
554 0.0059 0.00000
555 0.0274 0.00000
556 0.0904 0.00000
557 0.0267 0.00000
558 -0.0086 0.00000
559 0.1297 0.00000
560 0.3260 0.00000
561 0.0324 0.00000
562 -0.2015 0.00000
563 0.0792 0.00000
564 -0.0924 0.00000
565 -0.0608 0.00000
566 0.0197 0.00000
567 0.0274 0.00000
568 0.0384 0.00000
569 -0.1072 0.00000
570 -0.0010 0.00000
571 -0.0607 0.00000
572 0.0371 0.00000
573 0.0778 0.00000
574 -0.0068 0.00000
575 0.0213 0.00000
576 0.0669 0.00000
577 0.0017 0.00000
578 0.0379 0.00000
579 0.1246 0.00000
580 0.0338 0.00000
581 0.0165 0.00000
582 0.0426 0.00000
583 0.0140 0.00000
584 0.0762 0.00000
585 0.0188 0.00000
586 0.0154 0.00000
587 0.0706 0.00000
588 0.0330 0.00000
589 -0.2059 0.00000
590 0.0194 0.00000
591 -0.0359 0.00000
592 -0.0111 0.00000
593 -0.0361 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1956 0.00000
597 -0.2044 0.00000
598 -0.0754 0.00000
599 0.0771 0.00000
600 0.1074 0.00000
601 0.0267 0.00000
602 -0.1902 0.00000
603 0.0708 0.00000
604 -0.0942 0.00000
605 0.0977 0.00000
606 0.0313 0.00000
607 -0.0170 0.00000
608 -0.1768 0.00000
609 -0.0042 0.00000
610 -0.1233 0.00000
611 -0.0628 0.00000
612 -0.0106 0.00000
613 -0.0564 0.00000
614 0.0597 0.00000
615 0.0673 0.00000
616 -0.1289 0.00000
617 0.0574 0.00000
618 0.1011 0.00000
619 0.0290 0.00000
620 -0.0682 0.00000
621 -0.0411 0.00000
622 -0.0483 0.00000
623 -0.0334 0.00000
624 0.0033 0.00000
625 -0.0301 0.00000
626 0.0147 0.00000
627 0.0560 0.00000
628 -0.0137 0.00000
629 -0.0054 0.00000
630 -0.0463 0.00000
631 -0.0178 0.00000
632 -0.0466 0.00000
633 -0.0801 0.00000
634 -0.0157 0.00000
635 0.0117 0.00000
636 0.0414 0.00000
637 -0.0390 0.00000
638 0.0118 0.00000
639 -0.0198 0.00000
640 -0.0038 0.00000
641 -0.0116 0.00000
642 -0.0317 0.00000
643 0.0283 0.00000
644 -0.0437 0.00000
645 0.0160 0.00000
646 -0.0268 0.00000
647 -0.0576 0.00000
648 -0.0272 0.00000
649 -0.0356 0.00000
650 -0.0794 0.00000
651 0.0248 0.00000
652 -0.0202 0.00000
653 -0.0373 0.00000
654 0.0202 0.00000
655 -0.1258 0.00000
656 -0.0231 0.00000
657 -0.0268 0.00000
658 -0.0038 0.00000
659 -0.0180 0.00000
660 -0.0052 0.00000
661 -0.0270 0.00000
662 -0.0396 0.00000
663 -0.0246 0.00000
664 -0.0537 0.00000
665 0.0481 0.00000
666 0.0047 0.00000
667 0.0172 0.00000
668 -0.0519 0.00000
669 0.0349 0.00000
670 -0.0288 0.00000
671 0.0107 0.00000
672 -0.0083 0.00000
673 0.0224 0.00000
674 -0.0052 0.00000
675 -0.0271 0.00000
676 -0.0260 0.00000
677 -0.0143 0.00000
678 -0.0260 0.00000
679 -0.0370 0.00000
680 -0.0048 0.00000
681 -0.0038 0.00000
682 -0.0217 0.00000
683 0.0255 0.00000
684 -0.0514 0.00000
685 -0.0152 0.00000
686 -0.0257 0.00000
687 0.0141 0.00000
688 -0.0119 0.00000
689 -0.0378 0.00000
690 0.0519 0.00000
691 -0.1251 0.00000
692 -0.0401 0.00000
693 -0.0011 0.00000
694 -0.0411 0.00000
695 0.0204 0.00000
696 -0.0053 0.00000
697 -0.0143 0.00000
698 0.0138 0.00000
699 -0.0299 0.00000
700 0.0011 0.00000
701 -0.0029 0.00000
702 0.0492 0.00000
703 0.0269 0.00000
704 -0.0474 0.00000
705 0.0094 0.00000
706 0.0048 0.00000
707 -0.0311 0.00000
708 -0.0036 0.00000
709 -0.0515 0.00000
710 0.0026 0.00000
711 -0.0886 0.00000
712 0.0134 0.00000
713 -0.0612 0.00000
714 0.0083 0.00000
715 0.0286 0.00000
716 -0.0154 0.00000
717 -0.0748 0.00000
718 -0.0305 0.00000
719 -0.0214 0.00000
720 0.0403 0.00000
721 0.0183 0.00000
722 0.0197 0.00000
723 0.0356 0.00000
724 0.0122 0.00000
725 -0.0887 0.00000
726 -0.0418 0.00000
727 -0.0476 0.00000
728 -0.0466 0.00000
729 -0.0013 0.00000
730 -0.0093 0.00000
731 0.0146 0.00000
732 -0.0300 0.00000
733 0.0135 0.00000
734 -0.0698 0.00000
735 0.0571 0.00000
736 0.0400 0.00000
737 -0.0150 0.00000
738 -0.1649 0.00000
739 -0.0284 0.00000
740 -0.0074 0.00000
741 -0.0215 0.00000
742 -0.0431 0.00000
743 -0.0374 0.00000
744 -0.0244 0.00000
745 0.0064 0.00000
746 -0.0352 0.00000
747 0.0299 0.00000
748 0.0054 0.00000
749 0.0013 0.00000
750 -0.0113 0.00000
751 -0.0278 0.00000
752 -0.0270 0.00000
753 0.0027 0.00000
754 -0.0223 0.00000
755 0.0230 0.00000
756 0.0434 0.00000
757 0.0491 0.00000
758 0.0075 0.00000
759 0.0648 0.00000
760 -0.0071 0.00000
761 0.0208 0.00000
762 0.0053 0.00000
763 0.0712 0.00000
764 0.0535 0.00000
765 -0.0187 0.00000
766 0.0296 0.00000
767 -0.0265 0.00000
768 0.0088 0.00000
769 -0.1148 0.00000
770 0.0156 0.00000
771 -0.0134 0.00000
772 0.0548 0.00000
773 0.0160 0.00000
774 -0.0640 0.00000
775 0.0226 0.00000
776 -0.0436 0.00000
777 -0.0135 0.00000
778 -0.0356 0.00000
779 -0.0242 0.00000
780 -0.0152 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.1477 0.00000
2 -0.1021 0.00000
3 0.0074 0.00000
4 -0.2006 0.00000
5 0.2472 0.00000
6 0.1291 0.00000
7 -0.0694 0.00000
8 0.0159 0.00000
9 0.4627 0.00000
10 0.2211 0.00000
11 -0.2022 0.00000
12 0.0599 0.00000
13 -0.0351 0.00000
14 -0.1461 0.00000
15 -1.0994 0.00000
16 0.0354 0.00000
17 0.0845 0.00000
18 0.0894 0.00000
19 0.0165 0.00000
20 -0.0529 0.00000
21 -0.1587 0.00000
22 0.2661 0.00000
23 0.1164 0.00000
24 0.1396 0.00000
25 0.6880 0.00000
26 0.1983 0.00000
27 0.1311 0.00000
28 0.0945 0.00000
29 -0.0455 0.00000
30 0.1704 0.00000
31 0.5130 0.00000
32 0.6611 0.00000
33 0.0553 0.00000
34 0.0957 0.00000
35 0.0186 0.00000
36 -0.5664 0.00000
37 0.2890 0.00000
38 0.0407 0.00000
39 -0.0188 0.00000
40 0.3226 0.00000
41 -0.1710 0.00000
42 -0.1320 0.00000
43 0.1216 0.00000
44 -0.5182 0.00000
45 -0.1527 0.00000
46 0.0189 0.00000
47 -0.3831 0.00000
48 0.3490 0.00000
49 0.2006 0.00000
50 -0.0126 0.00000
51 0.0722 0.00000
52 0.1525 0.00000
53 -0.0025 0.00000
54 0.0110 0.00000
55 0.0828 0.00000
56 0.2355 0.00000
57 -0.0918 0.00000
58 0.0471 0.00000
59 -0.5297 0.00000
60 0.0555 0.00000
61 -0.4048 0.00000
62 0.0289 0.00000
63 0.0207 0.00000
64 0.0957 0.00000
65 0.1554 0.00000
66 0.0291 0.00000
67 0.0584 0.00000
68 0.1200 0.00000
69 -0.0199 0.00000
70 0.2132 0.00000
71 0.0520 0.00000
72 0.0566 0.00000
73 0.0291 0.00000
74 -0.0104 0.00000
75 -0.0069 0.00000
76 0.0461 0.00000
77 0.0148 0.00000
78 0.0541 0.00000
79 0.0541 0.00000
80 -0.0259 0.00000
81 0.0619 0.00000
82 0.1167 0.00000
83 0.0110 0.00000
84 -0.0262 0.00000
85 -0.0203 0.00000
86 -0.0412 0.00000
87 -0.0536 0.00000
88 -0.3699 0.00000
89 -0.0474 0.00000
90 -0.3806 0.00000
91 -0.2694 0.00000
92 -0.2682 0.00000
93 0.0082 0.00000
94 0.0205 0.00000
95 -0.0129 0.00000
96 0.0233 0.00000
97 -0.0841 0.00000
98 0.0718 0.00000
99 0.1884 0.00000
100 0.0671 0.00000
101 0.0068 0.00000
102 0.3787 0.00000
103 -0.1017 0.00000
104 0.0774 0.00000
105 -0.3086 0.00000
106 0.0281 0.00000
107 0.0311 0.00000
108 -0.0287 0.00000
109 0.0429 0.00000
110 0.0667 0.00000
111 0.0447 0.00000
112 0.1474 0.00000
113 0.0805 0.00000
114 -0.1720 0.00000
115 -0.1809 0.00000
116 -0.0672 0.00000
117 -0.1102 0.00000
118 0.0202 0.00000
119 0.1053 0.00000
120 0.0026 0.00000
121 0.2225 0.00000
122 -0.0026 0.00000
123 0.0473 0.00000
124 0.0811 0.00000
125 -0.1240 0.00000
126 -0.0747 0.00000
127 -0.0144 0.00000
128 -0.0740 0.00000
129 0.0487 0.00000
130 -0.0926 0.00000
131 0.1544 0.00000
132 -0.0295 0.00000
133 -0.0056 0.00000
134 -0.5214 0.00000
135 -0.0098 0.00000
136 -0.0520 0.00000
137 -0.0095 0.00000
138 0.0699 0.00000
139 -0.0616 0.00000
140 -0.0377 0.00000
141 -0.1319 0.00000
142 0.0181 0.00000
143 -0.0133 0.00000
144 0.0196 0.00000
145 0.0200 0.00000
146 0.0163 0.00000
147 0.0054 0.00000
148 -0.0556 0.00000
149 0.2869 0.00000
150 0.0073 0.00000
151 0.2279 0.00000
152 -0.0263 0.00000
153 -0.2184 0.00000
154 0.1860 0.00000
155 0.1737 0.00000
156 -0.3100 0.00000
157 -0.0474 0.00000
158 -0.0554 0.00000
159 0.1941 0.00000
160 0.0938 0.00000
161 0.0007 0.00000
162 0.1249 0.00000
163 0.3349 0.00000
164 0.1456 0.00000
165 0.0630 0.00000
166 -0.2063 0.00000
167 0.2254 0.00000
168 0.1021 0.00000
169 -0.1504 0.00000
170 0.0714 0.00000
171 0.1399 0.00000
172 0.0753 0.00000
173 0.2389 0.00000
174 0.0071 0.00000
175 -0.0349 0.00000
176 0.0102 0.00000
177 -0.0005 0.00000
178 0.0509 0.00000
179 -0.2610 0.00000
180 0.0278 0.00000
181 0.1924 0.00000
182 0.0016 0.00000
183 -0.0273 0.00000
184 0.0588 0.00000
185 -0.0165 0.00000
186 -0.0026 0.00000
187 -0.0967 0.00000
188 -0.5088 0.00000
189 -0.1597 0.00000
190 0.1268 0.00000
191 -0.0396 0.00000
192 0.0284 0.00000
193 -0.0356 0.00000
194 -0.0899 0.00000
195 0.0766 0.00000
196 0.1924 0.00000
197 0.0071 0.00000
198 -0.0968 0.00000
199 -0.0556 0.00000
200 0.0139 0.00000
201 -0.0345 0.00000
202 -0.0604 0.00000
203 -0.0772 0.00000
204 -0.0065 0.00000
205 -0.0422 0.00000
206 0.1327 0.00000
207 -0.0396 0.00000
208 -0.0958 0.00000
209 0.0549 0.00000
210 -0.0410 0.00000
211 -0.0986 0.00000
212 0.0362 0.00000
213 0.0198 0.00000
214 0.0317 0.00000
215 0.0116 0.00000
216 0.1217 0.00000
217 0.0684 0.00000
218 0.0637 0.00000
219 0.1245 0.00000
220 -0.0084 0.00000
221 0.2505 0.00000
222 0.0238 0.00000
223 -0.0734 0.00000
224 0.0793 0.00000
225 0.0577 0.00000
226 0.0676 0.00000
227 -0.0074 0.00000
228 0.0006 0.00000
229 0.1050 0.00000
230 0.0396 0.00000
231 -0.3150 0.00000
232 -0.0133 0.00000
233 -0.0242 0.00000
234 -0.0766 0.00000
235 -0.2023 0.00000
236 -0.0595 0.00000
237 -0.2403 0.00000
238 -0.1168 0.00000
239 -0.1382 0.00000
240 -0.0164 0.00000
241 -0.0333 0.00000
242 -0.0420 0.00000
243 0.0060 0.00000
244 0.0194 0.00000
245 0.0302 0.00000
246 -0.0514 0.00000
247 0.1974 0.00000
248 0.9120 0.00000
249 -0.0933 0.00000
250 -0.0756 0.00000
251 -0.0027 0.00000
252 0.0245 0.00000
253 -0.0525 0.00000
254 0.0186 0.00000
255 -0.0568 0.00000
256 0.0573 0.00000
257 -0.0326 0.00000
258 0.0889 0.00000
259 0.0719 0.00000
260 -0.0155 0.00000
261 0.0183 0.00000
262 -0.0078 0.00000
263 -0.0550 0.00000
264 0.0468 0.00000
265 -0.0198 0.00000
266 -0.1236 0.00000
267 -0.0439 0.00000
268 -0.0373 0.00000
269 -0.0279 0.00000
270 -0.0379 0.00000
271 -0.1320 0.00000
272 -0.4472 0.00000
273 0.1144 0.00000
274 -0.0842 0.00000
275 0.1839 0.00000
276 -0.0961 0.00000
277 -0.0385 0.00000
278 -0.0587 0.00000
279 0.1432 0.00000
280 0.0183 0.00000
281 0.2667 0.00000
282 -0.0453 0.00000
283 -0.0174 0.00000
284 -0.0298 0.00000
285 0.0004 0.00000
286 0.1191 0.00000
287 -0.0949 0.00000
288 -0.0232 0.00000
289 0.0649 0.00000
290 -0.0593 0.00000
291 -0.1997 0.00000
292 0.0193 0.00000
293 0.0785 0.00000
294 -0.0553 0.00000
295 -0.0486 0.00000
296 -0.0939 0.00000
297 0.1528 0.00000
298 -0.0738 0.00000
299 0.0099 0.00000
300 -0.0481 0.00000
301 0.0716 0.00000
302 -0.0611 0.00000
303 0.1315 0.00000
304 -0.0244 0.00000
305 0.0481 0.00000
306 -0.0539 0.00000
307 -0.0502 0.00000
308 0.0192 0.00000
309 -0.0636 0.00000
310 -0.0883 0.00000
311 0.0055 0.00000
312 0.0325 0.00000
313 -0.0360 0.00000
314 0.0563 0.00000
315 -0.1313 0.00000
316 -0.0784 0.00000
317 0.1809 0.00000
318 -0.0146 0.00000
319 0.1067 0.00000
320 0.0096 0.00000
321 -0.1405 0.00000
322 0.0846 0.00000
323 -0.0152 0.00000
324 0.0919 0.00000
325 -0.0879 0.00000
326 0.0385 0.00000
327 0.0469 0.00000
328 -0.0146 0.00000
329 0.0544 0.00000
330 -0.1120 0.00000
331 -0.0968 0.00000
332 -0.0584 0.00000
333 0.0009 0.00000
334 -0.0188 0.00000
335 -0.0260 0.00000
336 0.0671 0.00000
337 0.0379 0.00000
338 0.0878 0.00000
339 -0.0414 0.00000
340 0.0626 0.00000
341 -0.0300 0.00000
342 0.0456 0.00000
343 -0.0018 0.00000
344 0.0069 0.00000
345 -0.0280 0.00000
346 0.1285 0.00000
347 -0.0449 0.00000
348 -0.0221 0.00000
349 -0.1016 0.00000
350 0.0799 0.00000
351 0.0881 0.00000
352 -0.0206 0.00000
353 0.0638 0.00000
354 -0.0028 0.00000
355 -0.0103 0.00000
356 0.0007 0.00000
357 -0.0037 0.00000
358 -0.1589 0.00000
359 0.0248 0.00000
360 0.1378 0.00000
361 0.0064 0.00000
362 0.0699 0.00000
363 0.0467 0.00000
364 -0.0185 0.00000
365 0.0195 0.00000
366 -0.0110 0.00000
367 -0.0033 0.00000
368 0.0087 0.00000
369 0.0299 0.00000
370 0.0369 0.00000
371 0.0904 0.00000
372 0.2319 0.00000
373 -0.0358 0.00000
374 0.0012 0.00000
375 0.1511 0.00000
376 0.0038 0.00000
377 0.0247 0.00000
378 -0.0181 0.00000
379 0.0120 0.00000
380 0.0223 0.00000
381 0.0356 0.00000
382 0.0338 0.00000
383 0.0382 0.00000
384 0.1487 0.00000
385 -0.0076 0.00000
386 0.0432 0.00000
387 0.1429 0.00000
388 0.1255 0.00000
389 0.0388 0.00000
390 -0.0779 0.00000
391 0.0494 0.00000
392 -0.0261 0.00000
393 -0.0157 0.00000
394 -0.0153 0.00000
395 0.0789 0.00000
396 0.0544 0.00000
397 0.0134 0.00000
398 -0.1014 0.00000
399 0.0120 0.00000
400 -0.0254 0.00000
401 -0.0094 0.00000
402 0.0447 0.00000
403 0.0393 0.00000
404 -0.0172 0.00000
405 0.0128 0.00000
406 0.0897 0.00000
407 0.0490 0.00000
408 0.0334 0.00000
409 0.0507 0.00000
410 0.0070 0.00000
411 0.0283 0.00000
412 0.0571 0.00000
413 0.0110 0.00000
414 0.0754 0.00000
415 0.0456 0.00000
416 -0.0062 0.00000
417 0.0452 0.00000
418 0.1419 0.00000
419 -0.0120 0.00000
420 0.0119 0.00000
421 -0.0522 0.00000
422 -0.0272 0.00000
423 -0.0434 0.00000
424 0.0539 0.00000
425 -0.0226 0.00000
426 -0.0380 0.00000
427 0.0412 0.00000
428 0.0148 0.00000
429 -0.0603 0.00000
430 -0.0241 0.00000
431 -0.0462 0.00000
432 -0.0055 0.00000
433 0.0235 0.00000
434 -0.0630 0.00000
435 0.0303 0.00000
436 0.0081 0.00000
437 0.0242 0.00000
438 -0.0412 0.00000
439 0.0391 0.00000
440 -0.0507 0.00000
441 0.0512 0.00000
442 -0.0744 0.00000
443 -0.0445 0.00000
444 0.0591 0.00000
445 -0.0037 0.00000
446 -0.0625 0.00000
447 0.0186 0.00000
448 -0.0332 0.00000
449 -0.0274 0.00000
450 0.2711 0.00000
451 0.0553 0.00000
452 -0.0401 0.00000
453 0.1183 0.00000
454 -0.0193 0.00000
455 0.0167 0.00000
456 -0.0363 0.00000
457 0.0301 0.00000
458 -0.0436 0.00000
459 0.0092 0.00000
460 0.0691 0.00000
461 -0.0209 0.00000
462 -0.0780 0.00000
463 0.0272 0.00000
464 -0.0802 0.00000
465 0.0115 0.00000
466 -0.0230 0.00000
467 0.1079 0.00000
468 -0.0670 0.00000
469 0.0367 0.00000
470 -0.0800 0.00000
471 0.0420 0.00000
472 -0.1862 0.00000
473 -0.1654 0.00000
474 0.1131 0.00000
475 -0.0981 0.00000
476 0.3967 0.00000
477 0.0792 0.00000
478 -0.0007 0.00000
479 -0.1098 0.00000
480 0.1306 0.00000
481 -0.0665 0.00000
482 0.1928 0.00000
483 -0.1387 0.00000
484 0.0260 0.00000
485 -0.0799 0.00000
486 0.1045 0.00000
487 0.0659 0.00000
488 -0.0451 0.00000
489 -0.0880 0.00000
490 -0.0949 0.00000
491 0.0199 0.00000
492 0.1207 0.00000
493 -0.1668 0.00000
494 -0.1127 0.00000
495 -0.1515 0.00000
496 0.2305 0.00000
497 0.0932 0.00000
498 -0.0141 0.00000
499 -0.0651 0.00000
500 0.0070 0.00000
501 0.0958 0.00000
502 -0.0222 0.00000
503 0.0331 0.00000
504 -0.0030 0.00000
505 -0.0198 0.00000
506 -0.0147 0.00000
507 -0.1334 0.00000
508 -0.0012 0.00000
509 -0.0616 0.00000
510 -0.0545 0.00000
511 0.1610 0.00000
512 -0.0008 0.00000
513 -0.0833 0.00000
514 0.1036 0.00000
515 0.0252 0.00000
516 0.1152 0.00000
517 0.0541 0.00000
518 -0.1075 0.00000
519 -0.0324 0.00000
520 -0.1362 0.00000
521 -0.0113 0.00000
522 0.0401 0.00000
523 -0.0182 0.00000
524 0.0222 0.00000
525 -0.0298 0.00000
526 -0.0312 0.00000
527 0.0390 0.00000
528 0.0745 0.00000
529 -0.0140 0.00000
530 -0.0504 0.00000
531 0.0746 0.00000
532 0.0012 0.00000
533 0.0382 0.00000
534 0.0592 0.00000
535 0.0029 0.00000
536 -0.0507 0.00000
537 0.0851 0.00000
538 0.1115 0.00000
539 0.0408 0.00000
540 0.0548 0.00000
541 0.0707 0.00000
542 0.1031 0.00000
543 0.0763 0.00000
544 0.0055 0.00000
545 0.0140 0.00000
546 0.0104 0.00000
547 -0.0362 0.00000
548 -0.0052 0.00000
549 0.0526 0.00000
550 0.0769 0.00000
551 -0.0000 0.00000
552 -0.1355 0.00000
553 0.0094 0.00000
554 0.0329 0.00000
555 0.0065 0.00000
556 -0.0064 0.00000
557 0.0295 0.00000
558 0.0427 0.00000
559 -0.0065 0.00000
560 0.2276 0.00000
561 0.1306 0.00000
562 -0.0094 0.00000
563 -0.2342 0.00000
564 0.1305 0.00000
565 -0.1498 0.00000
566 0.0401 0.00000
567 -0.0238 0.00000
568 -0.1161 0.00000
569 0.1035 0.00000
570 -0.0092 0.00000
571 -0.0247 0.00000
572 0.0387 0.00000
573 0.0169 0.00000
574 0.0379 0.00000
575 0.0556 0.00000
576 0.0578 0.00000
577 0.0224 0.00000
578 0.0069 0.00000
579 0.0527 0.00000
580 0.0770 0.00000
581 0.0305 0.00000
582 0.0060 0.00000
583 0.0383 0.00000
584 0.0971 0.00000
585 0.0080 0.00000
586 0.0108 0.00000
587 0.0662 0.00000
588 0.0332 0.00000
589 -0.2068 0.00000
590 0.0185 0.00000
591 -0.0356 0.00000
592 -0.0105 0.00000
593 -0.0356 0.00000
594 -0.0533 0.00000
595 -0.0524 0.00000
596 -0.1957 0.00000
597 -0.2044 0.00000
598 -0.0734 0.00000
599 0.0767 0.00000
600 0.0676 0.00000
601 0.1100 0.00000
602 -0.1418 0.00000
603 -0.0188 0.00000
604 -0.0863 0.00000
605 -0.0064 0.00000
606 0.0937 0.00000
607 -0.1818 0.00000
608 0.0007 0.00000
609 -0.0210 0.00000
610 -0.0381 0.00000
611 -0.0232 0.00000
612 -0.0680 0.00000
613 -0.0373 0.00000
614 -0.0495 0.00000
615 0.1334 0.00000
616 0.0168 0.00000
617 -0.0182 0.00000
618 -0.0312 0.00000
619 -0.0663 0.00000
620 0.0014 0.00000
621 -0.0005 0.00000
622 -0.0148 0.00000
623 -0.0630 0.00000
624 0.0828 0.00000
625 -0.0210 0.00000
626 -0.0442 0.00000
627 -0.0377 0.00000
628 -0.0099 0.00000
629 -0.0403 0.00000
630 -0.0475 0.00000
631 -0.0512 0.00000
632 0.1186 0.00000
633 -0.0428 0.00000
634 -0.0192 0.00000
635 0.0070 0.00000
636 0.0157 0.00000
637 -0.0358 0.00000
638 -0.0450 0.00000
639 -0.0356 0.00000
640 -0.0065 0.00000
641 -0.0202 0.00000
642 0.0520 0.00000
643 0.0122 0.00000
644 0.0090 0.00000
645 -0.0638 0.00000
646 0.0225 0.00000
647 -0.0127 0.00000
648 0.0020 0.00000
649 -0.1121 0.00000
650 0.0071 0.00000
651 -0.0841 0.00000
652 -0.0217 0.00000
653 -0.0613 0.00000
654 -0.0280 0.00000
655 -0.0112 0.00000
656 -0.0099 0.00000
657 0.0381 0.00000
658 -0.0431 0.00000
659 -0.0272 0.00000
660 -0.0031 0.00000
661 -0.0156 0.00000
662 0.0066 0.00000
663 0.0202 0.00000
664 0.0151 0.00000
665 -0.0175 0.00000
666 -0.0393 0.00000
667 -0.0217 0.00000
668 -0.0761 0.00000
669 0.0411 0.00000
670 0.0327 0.00000
671 -0.0690 0.00000
672 0.0214 0.00000
673 -0.0389 0.00000
674 -0.0397 0.00000
675 -0.0340 0.00000
676 0.0130 0.00000
677 0.0154 0.00000
678 -0.0033 0.00000
679 -0.0302 0.00000
680 0.0051 0.00000
681 -0.0338 0.00000
682 -0.0282 0.00000
683 -0.0257 0.00000
684 -0.0200 0.00000
685 0.0302 0.00000
686 -0.0137 0.00000
687 0.0043 0.00000
688 -0.0161 0.00000
689 -0.0273 0.00000
690 -0.0216 0.00000
691 0.0191 0.00000
692 -0.0169 0.00000
693 -0.0870 0.00000
694 -0.0043 0.00000
695 -0.0411 0.00000
696 -0.0433 0.00000
697 0.0127 0.00000
698 -0.0362 0.00000
699 -0.0953 0.00000
700 -0.0305 0.00000
701 -0.0100 0.00000
702 -0.0609 0.00000
703 -0.0207 0.00000
704 -0.0499 0.00000
705 0.0066 0.00000
706 0.0061 0.00000
707 0.0893 0.00000
708 0.0458 0.00000
709 -0.0131 0.00000
710 -0.0620 0.00000
711 -0.0419 0.00000
712 0.0234 0.00000
713 -0.0280 0.00000
714 0.0031 0.00000
715 -0.0482 0.00000
716 0.0016 0.00000
717 0.0058 0.00000
718 0.0437 0.00000
719 -0.0175 0.00000
720 -0.0503 0.00000
721 -0.0320 0.00000
722 -0.0211 0.00000
723 0.0083 0.00000
724 -0.0180 0.00000
725 0.0308 0.00000
726 -0.1090 0.00000
727 0.0243 0.00000
728 -0.0268 0.00000
729 -0.0883 0.00000
730 0.0302 0.00000
731 -0.0208 0.00000
732 0.0155 0.00000
733 -0.0121 0.00000
734 -0.0121 0.00000
735 0.0452 0.00000
736 0.0026 0.00000
737 0.0676 0.00000
738 0.0050 0.00000
739 0.0216 0.00000
740 0.0099 0.00000
741 -0.0451 0.00000
742 -0.0171 0.00000
743 -0.0281 0.00000
744 -0.0475 0.00000
745 -0.0404 0.00000
746 -0.0302 0.00000
747 0.0181 0.00000
748 -0.0058 0.00000
749 -0.0082 0.00000
750 0.0207 0.00000
751 -0.0462 0.00000
752 -0.0611 0.00000
753 -0.0103 0.00000
754 -0.0390 0.00000
755 0.0251 0.00000
756 0.0882 0.00000
757 0.0092 0.00000
758 0.0480 0.00000
759 -0.0970 0.00000
760 -0.0149 0.00000
761 -0.0139 0.00000
762 -0.0061 0.00000
763 0.0009 0.00000
764 0.0121 0.00000
765 0.0687 0.00000
766 0.0134 0.00000
767 -0.0055 0.00000
768 -0.0093 0.00000
769 -0.0638 0.00000
770 0.0244 0.00000
771 0.0143 0.00000
772 -0.0480 0.00000
773 -0.0027 0.00000
774 0.0068 0.00000
775 -0.0869 0.00000
776 -0.0486 0.00000
777 -0.0107 0.00000
778 -0.0071 0.00000
779 0.0541 0.00000
780 0.0496 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 2 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
-3.43361 6.45850 16.01921
6.45839 -3.24466 -1.77675
16.01900 -1.77629 1.85527
POSITION FORCE-CONSTANT FOR ION 2 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.022501 0.016945 0.060169
4.30302 2.15352 7.05746 -35.252155 1.526359 0.348737
1.30883 4.06731 2.03161 -0.106896 -0.033724 0.111819
3.96992 4.32885 4.13194 0.060242 0.071006 0.197475
1.29275 3.05683 8.10201 4.637078 -1.038331 -1.631631
3.79636 1.47547 14.70421 -0.067157 0.069859 0.018547
1.24643 4.63551 10.86193 -0.140011 -0.816119 -1.079887
3.89005 4.20092 12.88287 -0.505842 0.030060 -0.207490
1.04482 6.69020 17.44020 -0.018744 -0.037934 0.031028
3.77370 7.04599 6.61024 -0.445532 -0.130700 -0.070231
0.71312 9.21049 2.53845 -0.021044 -0.028257 0.026943
3.86880 9.70388 4.59023 -0.044829 -0.047703 0.021980
1.19399 7.29663 8.75952 -0.077093 -0.456856 0.086104
4.14925 6.52609 15.71477 -0.063176 -0.008893 0.002749
1.16791 10.19708 10.50563 -0.033752 -0.126963 -0.115564
3.90202 11.30466 11.97145 -0.112534 -0.005069 -0.015061
1.41963 13.48240 16.88000 -0.033952 0.021943 0.046266
3.89470 12.50036 6.39588 -0.129544 0.001218 -0.014565
1.24092 15.65995 2.03746 -0.069102 0.042854 0.065729
3.45676 13.88732 3.60018 -0.069161 0.028274 -0.001836
1.37686 12.90671 8.69683 -0.056450 0.022798 0.033597
4.20896 12.98001 14.89140 -0.067650 -0.033157 0.019113
1.28271 15.54574 11.35729 -0.108153 0.213880 -0.242671
4.02704 16.14416 13.12883 -0.266596 -0.071935 0.090805
8.51844 2.13686 0.32759 -0.022198 0.001483 -0.003426
10.42520 1.68659 6.72748 0.750224 -0.300848 -0.213211
6.89192 4.41938 2.41726 -0.269992 0.057532 -0.037957
10.22536 4.35381 4.16682 0.098694 0.099706 -0.174999
7.19238 2.15284 8.75827 4.343057 -0.313340 2.588846
10.67141 2.29852 15.08728 0.078296 0.027350 0.117232
7.24075 4.59797 11.01224 -0.028082 0.923029 0.795336
10.30176 4.56419 12.61212 0.276373 0.036032 0.118250
6.40057 6.85176 0.36515 -0.043403 0.016254 -0.014749
9.75325 6.62606 6.90745 0.056138 0.176042 -0.077650
6.24007 9.67823 1.67645 -0.032144 0.002507 0.019683
6.65558 7.06042 8.79421 -0.119926 0.278076 -0.133756
11.80692 6.94639 14.05727 0.092119 0.045040 0.056516
6.39955 9.97659 10.34026 -0.057907 0.060594 0.072228
11.03265 10.16848 13.84914 0.031069 0.010342 0.003640
6.77345 12.10505 16.99256 -0.015599 -0.016555 0.007777
10.32223 13.09442 6.99099 0.052556 -0.052280 0.021145
10.59365 15.96480 4.77521 0.129309 -0.165505 -0.135668
6.94250 12.79247 7.88185 -0.068184 -0.064358 -0.065278
10.18654 12.31147 16.08279 0.031201 -0.016288 0.028219
7.13888 17.01345 11.20310 -0.163556 -0.194963 0.645099
10.37682 0.23169 12.64835 0.237326 -0.019670 0.055185
13.24904 1.54346 17.14370 0.109394 -0.004320 0.018866
15.89410 1.64185 6.44545 0.849753 -0.047736 0.445144
12.98857 4.28042 2.14546 0.191304 0.021402 0.006205
15.96785 4.32998 4.48967 0.168343 -0.152902 0.283946
13.27097 1.52537 8.57426 0.655239 0.014675 -0.093942
16.03461 1.53130 15.21659 0.063296 0.040944 -0.061512
13.37701 3.97590 10.80799 0.228824 -0.011630 -0.017260
16.23421 4.17555 13.11475 0.279419 0.038749 -0.239227
13.12188 6.75851 16.83328 0.063979 0.007056 0.017585
16.15350 6.82329 6.57280 0.226212 -0.191156 0.075439
13.80451 11.28726 3.11364 0.075555 -0.019671 0.017961
16.01530 9.31599 4.57229 0.031732 -0.079044 0.082942
16.24774 6.95131 14.97400 0.026194 -0.063934 -0.055226
13.37358 11.10317 11.33384 0.069067 -0.017264 0.006691
16.26481 10.28310 12.82929 0.061974 -0.026770 -0.011470
13.02958 12.87265 0.34345 0.052963 -0.005309 0.010607
15.63587 13.81058 6.90598 0.104839 0.054844 -0.065353
13.11026 15.86276 1.91698 0.129751 -0.045529 -0.000540
16.04847 15.98249 4.25314 0.045035 0.246018 0.094362
12.92950 13.50280 9.01948 0.141202 -0.010543 -0.021144
16.03470 13.24150 15.21399 0.026115 0.010391 -0.020306
13.00717 16.52927 10.76204 0.188928 -0.015670 -0.061050
15.92967 15.85673 13.13419 0.108519 0.028005 -0.031309
1.86054 17.36365 1.29865 0.018058 -0.002222 -0.009175
4.17830 2.73136 5.21241 2.815877 -0.237255 -0.003469
3.26426 5.75851 5.24301 0.025405 0.000032 -0.024155
17.49829 1.67854 7.58538 -0.834246 -0.172035 -0.138912
1.16532 17.05709 10.27678 0.037456 -0.159686 0.101635
3.43296 5.28736 14.40974 0.073787 0.023169 0.032044
5.78979 4.58179 12.35127 0.105101 -0.086206 -0.066244
2.66622 1.96025 16.18884 0.030645 -0.004753 -0.023786
17.32027 0.89679 16.51550 0.001435 -0.001569 -0.006390
0.46199 8.18893 0.93413 0.013358 0.006226 -0.008317
5.39231 10.11127 3.40660 0.021434 0.005675 -0.012383
2.32066 9.80687 3.44943 0.024579 0.008606 0.000420
4.91964 7.92130 14.71679 0.011515 0.004468 -0.003577
2.68710 7.23238 16.69438 0.027006 0.008079 -0.011393
0.01020 10.88204 2.02154 0.009101 0.005867 -0.001661
4.21835 0.28129 6.98759 3.028229 0.446940 -0.019957
17.23783 13.81793 8.03064 0.006751 -0.007420 -0.002376
4.79582 14.66186 14.12172 0.041501 0.037097 -0.024362
1.82404 14.00413 10.26937 0.023337 -0.050262 0.024357
5.26768 16.92854 11.79676 0.170737 0.093925 -0.154911
10.96027 2.96124 5.34122 -0.096619 0.022000 0.130327
6.97457 3.04582 1.08259 0.048797 -0.013207 0.002831
10.16898 6.05361 5.08582 -0.007515 -0.028471 0.022208
8.34039 4.05066 3.68939 0.047605 -0.043697 0.061793
8.74489 2.42632 7.55292 -0.807727 0.100617 0.069408
7.18775 0.35634 9.46384 -0.396800 0.437331 -0.593823
11.47395 4.04892 11.19556 -0.091436 0.011165 0.000147
9.15080 2.77757 16.12393 0.006061 -0.003801 -0.015973
7.98734 0.36277 0.04247 0.013263 -0.000834 -0.003414
8.09306 7.37877 7.53063 0.011957 -0.040407 0.010642
5.20414 6.37683 7.73407 0.155077 -0.081254 0.174154
12.25313 11.32613 12.87115 -0.012647 -0.004129 0.005231
7.88582 9.71337 11.41294 0.008103 -0.006883 -0.015467
7.90588 7.26091 16.85699 0.010002 0.000339 0.000803
11.07224 14.64349 6.08452 -0.021800 0.047472 0.006125
9.97410 0.03402 5.82220 -0.124323 0.146179 0.146818
11.77786 16.49122 3.26041 -0.063797 0.037630 0.065265
6.65717 11.67689 9.40508 0.018677 0.020075 -0.004335
7.76961 15.24886 11.07941 0.012747 0.075881 -0.178790
8.52712 0.41686 12.29829 -0.048448 0.047254 -0.125128
13.11181 17.12784 0.26607 -0.029059 0.001244 0.002325
13.20693 2.50512 1.34897 -0.023935 -0.004891 -0.007504
17.29335 3.71694 3.19979 0.007059 0.001967 -0.059346
14.20035 4.69758 3.69278 -0.079831 0.013462 -0.065258
14.59997 3.56179 12.23787 -0.076186 -0.007824 0.011941
13.57708 5.48481 0.72232 -0.019597 0.003266 -0.012374
12.29749 8.18631 0.22048 -0.006430 0.000624 -0.000262
16.86596 10.59176 5.62457 0.004135 0.010142 -0.009741
16.66958 8.43890 13.63905 -0.007381 0.008753 0.002444
16.67265 11.67449 14.15979 -0.003579 0.006281 0.007697
14.70756 7.45696 15.98014 -0.018040 0.002297 0.011938
16.06899 0.34084 4.92526 -0.118055 -0.081900 -0.136788
14.63768 15.41566 3.05858 -0.039578 -0.017208 -0.031209
12.21694 15.07373 9.87203 -0.033598 0.009335 0.011354
15.65466 0.14914 13.86557 -0.013629 -0.010234 -0.002387
14.35754 15.71932 11.91759 -0.042122 0.000650 -0.003739
14.30081 12.83268 16.21967 -0.009980 -0.000589 0.006751
8.77223 10.39607 2.47225 0.001367 -0.006170 -0.004228
12.91187 8.54216 10.48161 0.015453 0.000380 0.002119
8.49467 15.82840 2.99445 -0.014844 -0.005571 -0.027115
1.32045 2.68577 1.08043 0.030775 -0.038608 -0.058350
5.44581 4.42337 3.31859 0.344672 0.104290 -0.191098
2.71895 4.15019 2.95898 0.123937 -0.068397 0.058034
2.89361 2.63574 7.84048 11.367468 -3.268803 -5.386885
3.72928 2.61904 13.46082 0.095206 -0.025069 0.022784
1.12195 3.42722 9.72736 -0.608135 0.697332 1.369418
2.69176 4.49808 11.70258 0.422401 0.045528 0.409529
1.13271 5.33613 0.95032 0.025404 0.042484 -0.046466
4.03043 8.42197 5.67301 0.075966 0.059207 0.004763
3.75157 11.03623 5.64253 0.035578 0.019789 0.007621
2.52170 7.25791 7.75547 0.236350 0.103292 -0.106680
17.39856 7.13193 7.68295 -0.062584 0.122997 -0.043075
1.18188 6.06412 9.94036 0.022831 0.388152 0.006412
1.18202 8.73358 9.65531 0.020488 0.180783 0.074077
3.91098 11.84592 13.59643 0.029272 0.016150 0.014854
5.12928 10.31683 11.41789 0.082206 -0.029575 -0.039647
2.50977 10.51875 11.46580 0.089020 0.038835 0.045496
17.45087 6.59897 16.12377 0.007559 0.011320 0.007961
3.55980 13.67281 5.25157 0.033701 -0.008612 0.009121
1.28803 14.62748 0.64715 0.018520 -0.033042 -0.039236
4.98905 14.24610 3.11864 0.050103 0.006509 -0.007289
2.40264 15.06164 3.08512 0.051783 -0.034842 0.005228
2.72172 12.72875 7.62075 0.074442 -0.010435 -0.038340
1.06333 11.39589 9.35618 0.017642 0.017357 0.005683
3.61212 17.43666 14.11103 0.074646 -0.054080 -0.058890
2.61877 15.69429 12.36150 0.235141 0.008145 0.123441
2.80206 13.36593 15.83914 0.063027 -0.003865 -0.038225
17.47316 13.58140 16.05649 0.004389 -0.003356 -0.001004
9.77890 2.08644 1.42003 -0.002191 -0.000227 0.017466
11.39452 4.37239 2.86549 -0.175327 -0.027405 0.123708
5.75314 2.47184 7.89843 9.592714 2.184854 4.219287
10.58974 3.42804 13.84178 -0.043637 0.015552 -0.056092
7.29963 3.26088 10.01774 -0.548077 -0.900652 -1.319337
10.61644 6.04073 13.30213 -0.086629 -0.083630 -0.060746
8.72282 4.57356 11.93667 -0.266795 -0.107891 -0.249244
6.87268 5.85394 1.60201 0.060127 -0.024947 0.015377
10.69996 7.99849 7.09252 -0.037870 -0.058457 0.004722
5.73707 8.23825 1.01832 0.027767 -0.008240 -0.006490
10.63831 11.82289 5.95914 -0.012532 0.018688 0.009418
12.27791 10.92294 3.59234 -0.037981 -0.001771 0.010042
7.82470 9.40720 2.06031 0.025483 0.000396 0.001405
7.06519 5.95381 10.03323 0.074164 -0.330361 0.053732
11.49637 8.56646 14.11248 -0.016031 -0.007195 -0.007406
6.22218 8.54831 9.46647 0.043063 -0.116253 -0.035312
10.64255 10.88430 15.28736 -0.007546 0.003432 -0.004897
5.27533 6.08183 16.89617 0.051244 0.000858 0.019832
6.19392 10.87447 0.49133 0.018869 0.010449 -0.012302
6.63594 13.50144 0.40946 0.011450 0.008819 0.001538
9.20318 15.33527 4.12194 0.013063 0.050480 0.055204
8.65369 12.87516 7.41323 -0.009730 0.020535 0.008983
5.50203 12.61795 6.94111 0.121617 0.018553 0.053206
10.10713 13.64215 15.27789 -0.009208 0.016255 -0.016385
10.67911 0.87544 14.08625 -0.069022 -0.046418 -0.087582
11.60356 17.20368 11.75834 -0.160541 0.045706 0.053738
8.39118 11.91622 16.60701 0.011495 0.004741 -0.004354
5.50451 12.34914 15.80657 0.021635 0.008148 -0.003224
15.73327 3.04046 5.55542 -0.169772 0.185176 -0.272972
16.46394 5.60663 5.46979 -0.108278 0.069396 -0.086821
14.52808 1.45286 7.47168 -0.605412 -0.022648 0.219596
11.79275 1.56088 7.78873 -0.552009 0.052968 -0.172662
13.32704 0.21681 9.64565 -0.105401 -0.033347 0.038943
16.41790 2.90736 14.26355 -0.038137 -0.056232 0.061395
13.45171 2.82808 9.57211 -0.129813 0.010225 0.025046
16.10069 5.57752 13.99343 -0.042229 0.074463 0.079808
0.00005 4.40711 11.99025 -0.261339 0.037771 0.388994
14.62884 1.73967 16.17160 -0.071982 -0.005670 0.040383
11.98368 2.03831 16.06725 -0.086989 0.013795 -0.063708
15.63239 8.11986 5.68103 -0.037426 0.096263 -0.065349
17.11138 8.55854 3.60414 0.016341 0.023187 -0.031204
14.79559 9.98222 3.60061 -0.045727 0.035504 -0.032921
14.83832 6.40254 7.47085 -0.081414 0.024601 0.024172
10.26118 5.42988 7.96507 -0.072587 -0.138767 0.040333
13.84142 5.42996 10.14226 -0.071686 -0.015322 0.026268
12.90067 9.94534 10.26834 -0.018374 -0.001181 0.002336
17.40760 10.25314 11.57387 -0.020670 0.020295 0.040380
14.84553 10.65634 12.01294 -0.055345 0.017674 -0.015996
12.09160 6.31793 15.56215 -0.038830 -0.004364 -0.040730
13.66330 11.76838 1.50243 -0.018531 0.008897 -0.017786
15.90808 14.97969 5.66759 -0.032491 -0.091119 0.030005
12.90234 14.38066 1.10662 -0.028086 0.007631 -0.004483
17.39979 15.79595 3.12260 0.053073 -0.052352 -0.079965
14.24465 13.87010 7.98683 -0.104313 -0.009976 0.061041
11.50975 12.98027 8.22780 -0.062971 0.007099 -0.034378
13.37751 12.44417 10.26044 -0.028298 0.014417 -0.006151
15.76289 14.59733 14.23402 -0.019315 -0.022180 0.019652
17.35248 15.55367 12.27553 -0.078321 -0.040336 0.093266
11.51892 12.39014 17.28946 -0.042099 -0.002976 -0.020826
2.14782 0.44560 2.19550 -0.004009 -0.001802 0.001657
3.29477 2.11300 4.94555 0.491306 0.101411 1.700721
2.45654 5.15830 5.71352 0.059775 -0.050081 0.075904
17.13665 1.28635 8.55333 -0.092727 -0.045413 -0.008715
2.05496 17.16622 9.63831 -0.039488 0.069191 -0.013390
2.76007 4.61458 14.97268 0.015066 -0.005444 -0.009320
5.82104 5.64963 12.65472 0.029351 -0.005712 -0.040331
1.99867 2.73895 15.76239 0.006798 -0.003629 -0.004783
16.62702 0.41219 17.23014 0.009510 -0.000600 0.005638
0.53299 8.97932 0.15968 0.002750 0.002140 -0.002013
6.28070 9.99466 4.05905 0.007175 0.001321 0.000166
2.80484 10.34140 2.60493 0.004487 0.004190 -0.001430
5.85876 7.59725 14.24081 0.011344 0.002959 -0.000958
2.33378 8.07412 16.06384 0.005061 0.000593 -0.000575
0.72196 11.42800 1.39191 0.002960 0.001545 -0.000246
4.17641 17.36384 8.00554 0.182467 0.057211 0.022593
0.17664 14.81238 7.80592 -0.005125 0.004376 0.001745
5.28314 15.15948 14.98492 0.005465 -0.000226 0.002710
1.99589 13.21868 11.02572 0.009699 -0.016418 -0.006784
4.90269 16.46159 10.85427 -0.028371 -0.006074 -0.002218
11.44760 2.27402 4.62061 -0.026175 -0.028780 0.041048
6.42001 2.18281 1.50214 0.000374 0.005458 0.001102
11.20298 6.44871 5.00937 0.001473 -0.008952 0.003630
8.23943 2.94593 3.71752 0.007052 -0.017305 -0.025003
9.07830 3.43667 7.86385 -0.051805 0.037301 0.028059
8.13841 17.45818 9.05432 -0.048917 0.143880 -0.070855
11.09062 4.59939 10.31069 0.012254 0.007926 0.003473
8.29143 2.75175 15.42638 -0.003943 0.002381 0.006274
8.82941 17.22992 17.22214 0.005710 -0.001709 0.001692
7.50840 7.62286 6.62087 -0.001331 -0.002942 0.006870
4.60511 5.74329 8.41778 -0.080593 0.021638 -0.014142
12.92668 11.75537 13.63632 0.003864 -0.001782 -0.001175
8.02117 10.55523 12.10517 0.003468 -0.004780 0.000087
8.67556 7.71636 17.49570 0.006406 0.000136 -0.002230
11.47875 15.24589 6.91703 0.017695 -0.007204 0.004497
9.35972 16.97903 6.56192 -0.002513 -0.033789 -0.002384
11.03713 17.07922 2.67792 -0.000111 0.004252 -0.005045
7.42775 12.08916 10.09180 0.008640 -0.007692 0.005185
7.92017 14.83580 12.09082 -0.009165 0.062276 0.005955
8.50905 1.48718 11.99359 0.017262 -0.000478 0.056109
13.83892 16.58967 17.12637 0.004918 -0.000350 0.008319
14.18064 2.16404 1.76300 0.000198 0.007608 0.000182
0.22637 2.85420 3.74771 -0.002566 0.026703 0.023278
13.55731 4.46328 4.56374 0.018610 0.000538 0.006754
13.93368 3.48067 13.12140 -0.004186 -0.007374 0.006502
14.29477 4.78199 0.25086 0.001264 -0.000538 0.002239
12.05112 9.01860 17.04503 0.004375 0.000714 0.001103
16.27694 10.80430 6.52497 0.006393 -0.001743 -0.000251
16.72250 7.84092 12.70809 0.006455 -0.002189 0.002318
0.08131 12.14367 13.72814 0.000775 0.002228 -0.001377
15.18747 8.06134 16.77823 0.000768 0.000728 0.000986
15.33129 0.80027 4.23469 0.005062 -0.021545 -0.060547
15.22283 14.74953 2.39790 -0.008141 -0.005566 -0.007014
11.52991 14.60593 10.60396 0.003725 -0.006937 0.002942
14.54913 0.08259 13.94141 0.000137 0.000770 0.001958
13.64918 15.17179 12.57877 0.002447 -0.006764 0.002922
14.26990 11.73639 16.04700 0.004199 -0.000505 0.001275
2.83011 17.00291 0.89614 0.008083 -0.000569 -0.002625
5.01762 2.19884 4.72481 0.084313 0.055283 -1.523870
2.72197 6.40768 4.52960 0.037468 0.023608 -0.013073
0.61592 0.85326 7.17988 0.095506 0.158466 0.016367
1.05804 0.47662 10.87149 0.014489 0.013070 -0.043400
2.72869 6.02833 13.97220 0.014522 -0.013608 -0.014028
6.27365 4.07474 13.21275 0.023870 0.007119 -0.009658
3.39789 2.54642 16.78232 0.003857 0.000669 0.003046
0.26647 0.03376 15.97352 0.001303 -0.000935 -0.002322
16.86896 8.04953 1.06168 0.006536 -0.002135 0.001752
5.26691 11.21282 3.35522 0.004862 -0.000231 -0.001284
1.79651 10.63408 3.97172 0.004655 -0.000373 0.000799
4.24367 8.25477 13.91418 0.002333 -0.002574 0.002377
3.20146 7.72932 0.04071 0.001893 0.000856 0.001686
17.29565 11.52683 2.88643 0.004776 -0.000296 0.000391
5.09458 17.34903 6.48077 0.129634 -1.592195 -0.030020
16.80060 13.95067 9.04167 0.010848 0.002725 0.001257
5.65314 14.35380 13.49055 0.010556 -0.010812 0.004098
2.85103 14.37043 10.06567 0.000176 0.006391 -0.002729
4.88020 0.46410 11.72901 -0.028596 -0.001680 0.008957
11.82432 3.49932 5.78478 -0.008619 -0.017738 0.001985
6.33916 3.40343 0.25044 0.004336 0.006467 0.009965
9.59394 6.71839 4.41200 0.000651 -0.005383 0.001789
7.91802 4.38505 4.66043 -0.006167 0.040307 -0.000785
8.23543 2.62518 6.58554 0.127940 0.085365 -0.135323
6.41431 17.32071 8.88054 -0.013020 -0.178822 0.006636
11.14557 3.00954 10.98712 0.013864 -0.018216 0.005158
9.36027 3.86210 16.23230 0.005784 -0.000349 -0.000575
7.53966 17.41529 0.94072 0.000967 -0.000237 -0.004258
8.48774 8.36338 7.84778 0.011540 -0.010281 0.003502
5.72768 5.64505 7.08615 0.024560 0.052706 -0.085717
11.53162 12.14308 12.66419 0.003799 0.001227 0.001596
7.77778 8.79967 12.01567 0.003832 0.003941 0.005604
7.67148 7.97660 16.05599 0.003091 -0.000072 0.001615
11.96712 14.11387 5.69832 -0.000333 0.012325 -0.004473
9.20674 0.45352 5.13285 -0.004471 -0.006400 -0.030406
12.42086 17.27854 3.71166 0.013332 -0.004181 -0.005310
5.72984 12.20671 9.71226 -0.002507 -0.007794 0.000049
7.06651 14.59485 10.54611 0.007729 -0.003945 0.001171
8.18003 0.43236 13.34917 -0.028345 -0.009236 -0.025607
12.13433 16.79403 17.35819 0.002576 -0.003279 -0.006396
12.47800 1.85419 1.86970 0.007274 -0.006511 -0.000294
16.61133 3.22326 2.47663 0.007012 -0.002433 -0.013277
14.18380 5.80672 3.64923 -0.003062 0.003828 -0.003572
14.87276 2.50739 12.03337 0.011754 0.008907 -0.010076
14.23243 6.19147 1.27631 -0.000244 -0.004305 0.002540
12.93327 8.58137 1.02753 0.005223 -0.001908 -0.002530
0.31818 10.15222 5.96061 -0.000247 -0.005507 0.001033
0.23893 8.66414 13.84372 0.002390 0.000714 -0.001260
17.08408 11.06555 14.99139 0.002610 -0.001690 -0.000500
14.24371 8.22849 15.33189 0.005366 0.003516 -0.000311
17.03243 0.72423 4.52831 -0.001411 -0.002754 0.036929
14.06257 14.70897 3.69175 0.000982 -0.011118 -0.004463
11.55248 15.52990 9.11606 0.003957 -0.002261 -0.009382
15.79992 0.71375 12.92180 0.013041 -0.001180 0.001185
14.66771 14.92743 11.20480 0.004439 0.005562 -0.006160
13.59723 13.22883 15.45681 0.005257 -0.000021 -0.001447
0.28893 16.96969 9.61776 0.023432 0.028801 -0.010751
5.14861 8.79609 15.34428 0.006699 0.000262 -0.000867
16.57887 10.76457 1.44815 0.004884 -0.001795 -0.000484
3.32280 17.43531 6.45000 0.285694 1.572290 0.035325
7.22345 0.33037 16.74849 0.000786 0.000591 0.004660
8.80270 9.61454 10.81195 0.009538 0.001967 0.003058
8.32656 6.35754 16.39008 0.006584 -0.000535 0.000301
8.73549 15.20213 10.55252 0.019361 -0.032005 0.004730
11.35757 7.84337 0.68199 0.001219 0.001931 0.001217
17.07689 11.54135 5.11708 0.004864 0.005638 0.001463
1.05898 4.30352 7.32607 -0.525514 0.234815 0.049787
4.03509 12.56543 11.20951 0.019294 0.001598 0.000249
2.98241 12.61908 2.99845 0.013098 -0.002317 -0.000211
13.02951 6.77394 13.23542 -0.011118 -0.004315 -0.003073
9.81405 10.04557 13.02717 -0.000618 -0.001455 -0.000261
14.38062 12.44509 3.83928 -0.004818 0.000993 -0.001813
15.29130 12.60070 6.14349 -0.009144 -0.007257 0.005449
1.51212 12.17674 0.04632 0.008349 -0.001414 -0.004941
5.20365 1.54821 15.21091 0.026775 -0.007534 -0.000463
6.79297 14.20253 8.32851 0.007811 0.020413 0.012443
11.61515 7.96197 6.76612 0.023596 0.007987 0.001917
10.25461 10.96603 6.21744 0.008292 0.003935 -0.003201
11.90891 11.26603 4.43245 0.020135 -0.004217 -0.013452
8.53540 10.78259 3.48001 0.002163 0.001245 0.000941
9.76681 9.93079 2.50215 0.005835 0.002445 -0.001379
8.80784 11.23977 1.76494 0.005144 -0.000059 0.000408
14.97448 6.01037 8.35394 0.052048 -0.010447 -0.029075
10.93413 4.83383 7.59381 0.061256 0.038418 0.003937
13.14865 5.92816 9.67432 0.026762 0.006654 -0.007819
12.65000 8.06887 9.52187 0.011601 -0.000502 -0.000848
13.90414 8.18239 10.79823 -0.000219 -0.000987 -0.005594
12.16474 8.24325 11.23577 0.001264 0.001511 0.005156
5.27827 14.04824 2.20496 -0.008103 -0.001605 0.005888
10.20084 2.92381 1.69633 0.016989 0.000477 -0.011289
7.46833 14.00510 0.41146 0.002214 -0.005321 -0.002514
7.48179 15.39929 3.01468 0.003916 -0.000707 0.000556
8.41010 16.93048 3.00754 0.005840 0.002298 -0.006533
8.99741 15.53505 2.05618 0.004735 0.004340 0.007602
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 2 DIRECTION 1 : 3.747 -0.304 0.384
rigid augmentation : 0.199 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -0.452 -0.304 0.384
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 5/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 8( 1) ---------------------------------------
BZINTS: Fermi energy: 0.259063; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258841; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01055675
-V(xc)+E(xc) XCENC = 0.02154634
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02454467
---------------------------------------------------
free energy TOTEN = -0.01355509 eV
energy without entropy = -0.01355509
----------------------------------------- Iteration 8( 2) ---------------------------------------
BZINTS: Fermi energy: 0.259063; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258841; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.74185E+00 rms(broyden)= 0.74114E+00
rms(prec ) = 0.81703E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01055675
-V(xc)+E(xc) XCENC = 0.02154634
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01304941
---------------------------------------------------
free energy TOTEN = -0.00205982 eV
energy without entropy = -0.00205982
----------------------------------------- Iteration 8( 3) ---------------------------------------
BZINTS: Fermi energy: 0.259061; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258843; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.44565E+00 rms(broyden)= 0.44558E+00
rms(prec ) = 0.49765E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3114
2.3114
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00972035
-V(xc)+E(xc) XCENC = 0.01813828
PAW double counting = 0.00381548 -0.00381651
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01315204
---------------------------------------------------
free energy TOTEN = -0.00473514 eV
energy without entropy = -0.00473514
----------------------------------------- Iteration 8( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259063; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258841; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11031E+00 rms(broyden)= 0.11020E+00
rms(prec ) = 0.13530E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0727
1.8549 2.2905
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00876338
-V(xc)+E(xc) XCENC = 0.01559348
PAW double counting = 0.02291359 -0.02291935
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353629
---------------------------------------------------
free energy TOTEN = -0.00671194 eV
energy without entropy = -0.00671194
----------------------------------------- Iteration 8( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259069; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258835; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.47829E-01 rms(broyden)= 0.47785E-01
rms(prec ) = 0.63255E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8231
2.8412 1.1839 1.4441
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00840884
-V(xc)+E(xc) XCENC = 0.01516674
PAW double counting = 0.02666970 -0.02667597
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01383193
---------------------------------------------------
free energy TOTEN = -0.00708031 eV
energy without entropy = -0.00708031
----------------------------------------- Iteration 8( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259072; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258833; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.24518E-01 rms(broyden)= 0.24505E-01
rms(prec ) = 0.35223E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8529
3.0194 2.1697 1.1112 1.1112
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00839020
-V(xc)+E(xc) XCENC = 0.01519070
PAW double counting = 0.02906826 -0.02907494
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01384768
---------------------------------------------------
free energy TOTEN = -0.00705386 eV
energy without entropy = -0.00705386
----------------------------------------- Iteration 8( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259076; 1190.000000 electrons
Band energy:-0.912024E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258829; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.94060E-02 rms(broyden)= 0.93983E-02
rms(prec ) = 0.16017E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8332
3.2115 2.3526 1.5265 1.0377 1.0377
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836407
-V(xc)+E(xc) XCENC = 0.01523094
PAW double counting = 0.02950722 -0.02951369
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01388025
---------------------------------------------------
free energy TOTEN = -0.00701984 eV
energy without entropy = -0.00701984
----------------------------------------- Iteration 8( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259078; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258826; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53932E-02 rms(broyden)= 0.53882E-02
rms(prec ) = 0.87001E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9769
3.8889 2.7133 2.0422 1.2535 0.9818 0.9818
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836141
-V(xc)+E(xc) XCENC = 0.01527409
PAW double counting = 0.02953338 -0.02953979
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01388936
---------------------------------------------------
free energy TOTEN = -0.00698310 eV
energy without entropy = -0.00698310
----------------------------------------- Iteration 8( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259081; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258824; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.25126E-02 rms(broyden)= 0.25074E-02
rms(prec ) = 0.34028E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0141
4.1255 2.8910 2.2852 1.5362 0.9642 1.1179 1.1791
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835303
-V(xc)+E(xc) XCENC = 0.01529973
PAW double counting = 0.02944096 -0.02944735
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01390246
---------------------------------------------------
free energy TOTEN = -0.00696214 eV
energy without entropy = -0.00696214
----------------------------------------- Iteration 8( 10) ---------------------------------------
BZINTS: Fermi energy: 0.259082; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258823; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.88760E-03 rms(broyden)= 0.88513E-03
rms(prec ) = 0.12961E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0248
4.7990 2.8729 2.5649 1.8058 1.2378 1.0166 1.0166 0.8848
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835211
-V(xc)+E(xc) XCENC = 0.01530035
PAW double counting = 0.02941975 -0.02942614
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01390497
---------------------------------------------------
free energy TOTEN = -0.00696311 eV
energy without entropy = -0.00696311
----------------------------------------- Iteration 8( 11) ---------------------------------------
BZINTS: Fermi energy: 0.259082; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258822; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53588E-03 rms(broyden)= 0.53530E-03
rms(prec ) = 0.74495E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0246
5.0297 2.9361 2.5722 2.1093 1.3300 1.3300 1.0151 1.0151 0.8843
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835091
-V(xc)+E(xc) XCENC = 0.01529883
PAW double counting = 0.02943136 -0.02943770
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01390658
---------------------------------------------------
free energy TOTEN = -0.00696500 eV
energy without entropy = -0.00696500
----------------------------------------- Iteration 8( 12) ---------------------------------------
BZINTS: Fermi energy: 0.259082; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258822; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.23723E-03 rms(broyden)= 0.23698E-03
rms(prec ) = 0.35810E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0272
5.0452 3.4169 2.7545 2.2330 1.6907 1.1528 1.1528 1.0209 0.9601 0.8446
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835070
-V(xc)+E(xc) XCENC = 0.01529831
PAW double counting = 0.02943029 -0.02943664
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01390696
---------------------------------------------------
free energy TOTEN = -0.00696570 eV
energy without entropy = -0.00696570
----------------------------------------- Iteration 8( 13) ---------------------------------------
BZINTS: Fermi energy: 0.259082; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258822; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.98367E-04 rms(broyden)= 0.98204E-04
rms(prec ) = 0.15084E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0487
5.2930 3.6840 2.8168 2.3922 1.9065 1.3635 1.1366 1.1366 1.0447 0.9416
0.8199
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835122
-V(xc)+E(xc) XCENC = 0.01529843
PAW double counting = 0.02943054 -0.02943691
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01390696
---------------------------------------------------
free energy TOTEN = -0.00696612 eV
energy without entropy = -0.00696612
----------------------------------------- Iteration 8( 14) ---------------------------------------
BZINTS: Fermi energy: 0.259082; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258822; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.50825E-04 rms(broyden)= 0.50758E-04
rms(prec ) = 0.74874E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0340
5.2970 3.9572 2.7596 2.6417 2.0532 1.5829 1.1909 1.1044 1.1044 0.9655
0.9655 0.7863
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835133
-V(xc)+E(xc) XCENC = 0.01529843
PAW double counting = 0.02943110 -0.02943747
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01390643
---------------------------------------------------
free energy TOTEN = -0.00696570 eV
energy without entropy = -0.00696570
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0073 0.00000
2 0.0001 0.00000
3 -0.0483 0.00000
4 -0.1056 0.00000
5 -0.1335 0.00000
6 -0.0833 0.00000
7 0.0298 0.00000
8 -0.0205 0.00000
9 -0.1766 0.00000
10 -0.0202 0.00000
11 -0.0570 0.00000
12 0.1517 0.00000
13 -0.0109 0.00000
14 0.0883 0.00000
15 -0.2135 0.00000
16 0.0328 0.00000
17 0.0311 0.00000
18 -0.0740 0.00000
19 0.0575 0.00000
20 -0.0307 0.00000
21 -0.0969 0.00000
22 -0.1320 0.00000
23 -0.0431 0.00000
24 0.0365 0.00000
25 -0.2899 0.00000
26 -0.0979 0.00000
27 -0.1125 0.00000
28 -0.3378 0.00000
29 -0.0440 0.00000
30 -0.0772 0.00000
31 -0.0892 0.00000
32 -0.4062 0.00000
33 -0.0261 0.00000
34 -0.0493 0.00000
35 -0.0054 0.00000
36 -0.0715 0.00000
37 -0.2334 0.00000
38 -0.0233 0.00000
39 -0.0727 0.00000
40 -0.0588 0.00000
41 -0.0958 0.00000
42 -0.0748 0.00000
43 -0.0806 0.00000
44 -0.1451 0.00000
45 -0.1392 0.00000
46 -0.1729 0.00000
47 -0.0520 0.00000
48 -0.0447 0.00000
49 -0.0282 0.00000
50 -0.0968 0.00000
51 -0.0180 0.00000
52 -0.1267 0.00000
53 -0.0143 0.00000
54 0.1036 0.00000
55 -0.1533 0.00000
56 -0.0803 0.00000
57 -0.0707 0.00000
58 -0.1333 0.00000
59 -0.1480 0.00000
60 -0.0829 0.00000
61 -0.2429 0.00000
62 -0.1039 0.00000
63 -0.1113 0.00000
64 -0.0857 0.00000
65 -0.1055 0.00000
66 -0.0707 0.00000
67 -0.0514 0.00000
68 -0.1516 0.00000
69 0.0635 0.00000
70 0.0667 0.00000
71 -0.0909 0.00000
72 -0.0259 0.00000
73 0.0105 0.00000
74 0.0569 0.00000
75 0.0020 0.00000
76 0.0370 0.00000
77 0.0301 0.00000
78 -0.0349 0.00000
79 -0.0679 0.00000
80 -0.0126 0.00000
81 -0.1190 0.00000
82 0.0844 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0273 0.00000
90 -0.0210 0.00000
91 -0.0248 0.00000
92 0.0893 0.00000
93 -0.0353 0.00000
94 -0.0543 0.00000
95 -0.0150 0.00000
96 -0.0321 0.00000
97 -0.0568 0.00000
98 0.2282 0.00000
99 0.3699 0.00000
100 -0.0351 0.00000
101 0.7800 0.00000
102 -0.0461 0.00000
103 0.1714 0.00000
104 0.1357 0.00000
105 -0.0452 0.00000
106 -0.0188 0.00000
107 -0.0543 0.00000
108 0.0695 0.00000
109 0.0236 0.00000
110 -0.0235 0.00000
111 -0.0360 0.00000
112 0.2136 0.00000
113 0.0166 0.00000
114 0.3060 0.00000
115 -0.0709 0.00000
116 0.0068 0.00000
117 0.2144 0.00000
118 -0.0005 0.00000
119 -0.0136 0.00000
120 -0.0030 0.00000
121 -0.0520 0.00000
122 0.2422 0.00000
123 -0.0126 0.00000
124 0.0102 0.00000
125 0.0762 0.00000
126 0.4474 0.00000
127 -0.0175 0.00000
128 -0.0027 0.00000
129 0.0186 0.00000
130 0.0192 0.00000
131 0.1348 0.00000
132 -0.0292 0.00000
133 -0.0302 0.00000
134 0.1374 0.00000
135 -0.0271 0.00000
136 -0.0090 0.00000
137 -0.0576 0.00000
138 -0.0627 0.00000
139 0.0019 0.00000
140 -0.0126 0.00000
141 0.0170 0.00000
142 -0.0358 0.00000
143 -0.0135 0.00000
144 -0.0220 0.00000
145 -0.0345 0.00000
146 -0.0315 0.00000
147 -0.0193 0.00000
148 -0.0437 0.00000
149 -0.1005 0.00000
150 -0.0428 0.00000
151 -0.0343 0.00000
152 -0.0410 0.00000
153 -0.0309 0.00000
154 -0.0017 0.00000
155 -0.0341 0.00000
156 -0.1331 0.00000
157 0.0004 0.00000
158 -0.0701 0.00000
159 -0.0504 0.00000
160 -0.0289 0.00000
161 -0.0383 0.00000
162 -0.0969 0.00000
163 -0.0516 0.00000
164 -0.3657 0.00000
165 -0.1005 0.00000
166 -0.0562 0.00000
167 -0.0388 0.00000
168 -0.0715 0.00000
169 -0.0166 0.00000
170 -0.1382 0.00000
171 -0.1470 0.00000
172 0.0137 0.00000
173 -0.0303 0.00000
174 -0.0792 0.00000
175 -0.0454 0.00000
176 -0.1074 0.00000
177 -0.1488 0.00000
178 -0.1085 0.00000
179 -0.0448 0.00000
180 -0.0332 0.00000
181 -0.0324 0.00000
182 -0.1074 0.00000
183 -0.0327 0.00000
184 -0.0493 0.00000
185 -0.0581 0.00000
186 -0.0846 0.00000
187 -0.0548 0.00000
188 -0.0863 0.00000
189 -0.0593 0.00000
190 -0.1142 0.00000
191 -0.0149 0.00000
192 -0.0614 0.00000
193 -0.0374 0.00000
194 -0.0778 0.00000
195 -0.0309 0.00000
196 -0.0915 0.00000
197 -0.0704 0.00000
198 -0.0854 0.00000
199 -0.0798 0.00000
200 -0.0514 0.00000
201 0.0112 0.00000
202 0.0005 0.00000
203 -0.0377 0.00000
204 -0.1091 0.00000
205 -0.0817 0.00000
206 -0.1157 0.00000
207 -0.0314 0.00000
208 0.0179 0.00000
209 -0.0280 0.00000
210 -0.0863 0.00000
211 0.0231 0.00000
212 -0.0593 0.00000
213 -0.0460 0.00000
214 -0.0027 0.00000
215 0.0216 0.00000
216 -0.0743 0.00000
217 -0.0052 0.00000
218 -0.0650 0.00000
219 0.0349 0.00000
220 -0.3016 0.00000
221 -0.2999 0.00000
222 -0.0114 0.00000
223 -0.0339 0.00000
224 -0.0746 0.00000
225 -0.0687 0.00000
226 -0.0457 0.00000
227 -0.0064 0.00000
228 -0.0045 0.00000
229 -0.0518 0.00000
230 0.1570 0.00000
231 0.0417 0.00000
232 -0.0129 0.00000
233 -0.0235 0.00000
234 -0.0706 0.00000
235 0.0168 0.00000
236 0.0005 0.00000
237 0.0147 0.00000
238 0.0314 0.00000
239 0.0207 0.00000
240 -0.0136 0.00000
241 0.0273 0.00000
242 0.1081 0.00000
243 -0.0844 0.00000
244 0.0464 0.00000
245 0.0091 0.00000
246 -0.0036 0.00000
247 -0.1219 0.00000
248 -0.1233 0.00000
249 -0.0123 0.00000
250 -0.0608 0.00000
251 -0.0361 0.00000
252 -0.0383 0.00000
253 -0.0034 0.00000
254 -0.0187 0.00000
255 0.0093 0.00000
256 0.0085 0.00000
257 0.0300 0.00000
258 -0.0279 0.00000
259 -0.0055 0.00000
260 0.0348 0.00000
261 -0.0137 0.00000
262 0.0688 0.00000
263 0.0287 0.00000
264 0.0050 0.00000
265 0.0582 0.00000
266 0.0151 0.00000
267 -0.0478 0.00000
268 -0.0325 0.00000
269 0.1654 0.00000
270 0.0620 0.00000
271 0.0853 0.00000
272 0.0633 0.00000
273 -0.0127 0.00000
274 0.0839 0.00000
275 0.0202 0.00000
276 -0.0130 0.00000
277 0.0002 0.00000
278 -0.0207 0.00000
279 0.0665 0.00000
280 -0.0152 0.00000
281 -0.0157 0.00000
282 -0.0212 0.00000
283 0.0944 0.00000
284 0.0285 0.00000
285 0.0002 0.00000
286 0.0764 0.00000
287 -0.0074 0.00000
288 -0.0271 0.00000
289 -0.0033 0.00000
290 0.0116 0.00000
291 0.0937 0.00000
292 0.1745 0.00000
293 0.0182 0.00000
294 -0.0115 0.00000
295 -0.0466 0.00000
296 0.0547 0.00000
297 0.1431 0.00000
298 0.0218 0.00000
299 -0.0419 0.00000
300 0.0158 0.00000
301 0.1849 0.00000
302 0.0407 0.00000
303 0.0578 0.00000
304 -0.0141 0.00000
305 0.0357 0.00000
306 0.2604 0.00000
307 0.2816 0.00000
308 0.0082 0.00000
309 -0.0012 0.00000
310 0.0007 0.00000
311 0.2999 0.00000
312 0.1308 0.00000
313 0.0272 0.00000
314 0.1181 0.00000
315 0.1878 0.00000
316 0.0055 0.00000
317 0.0950 0.00000
318 0.0850 0.00000
319 0.0193 0.00000
320 -0.0472 0.00000
321 0.0408 0.00000
322 0.1451 0.00000
323 -0.0284 0.00000
324 -0.0088 0.00000
325 0.0043 0.00000
326 0.0760 0.00000
327 0.1155 0.00000
328 0.1121 0.00000
329 -0.0163 0.00000
330 0.0480 0.00000
331 -0.0266 0.00000
332 0.0525 0.00000
333 0.0533 0.00000
334 0.0208 0.00000
335 -0.0005 0.00000
336 0.0325 0.00000
337 -0.0171 0.00000
338 0.0292 0.00000
339 0.2960 0.00000
340 -0.0063 0.00000
341 0.1103 0.00000
342 -0.0441 0.00000
343 -0.0289 0.00000
344 0.0472 0.00000
345 0.0394 0.00000
346 0.0630 0.00000
347 0.0003 0.00000
348 -0.0467 0.00000
349 -0.0143 0.00000
350 -0.0193 0.00000
351 -0.0212 0.00000
352 -0.0015 0.00000
353 0.0578 0.00000
354 -0.0001 0.00000
355 0.0242 0.00000
356 -0.0391 0.00000
357 -0.0094 0.00000
358 -0.0228 0.00000
359 0.0384 0.00000
360 -0.0496 0.00000
361 -0.0349 0.00000
362 -0.0243 0.00000
363 0.0128 0.00000
364 -0.0660 0.00000
365 -0.0440 0.00000
366 -0.0074 0.00000
367 -0.0163 0.00000
368 0.0696 0.00000
369 -0.0763 0.00000
370 -0.0221 0.00000
371 -0.0507 0.00000
372 -0.0248 0.00000
373 -0.0653 0.00000
374 -0.0372 0.00000
375 -0.0671 0.00000
376 -0.0068 0.00000
377 -0.0384 0.00000
378 -0.0884 0.00000
379 -0.0371 0.00000
380 0.0080 0.00000
381 -0.1212 0.00000
382 -0.0326 0.00000
383 -0.0798 0.00000
384 -0.0151 0.00000
385 -0.0325 0.00000
386 -0.0026 0.00000
387 -0.1113 0.00000
388 -0.0303 0.00000
389 -0.0228 0.00000
390 -0.0287 0.00000
391 -0.0836 0.00000
392 -0.0385 0.00000
393 -0.0227 0.00000
394 -0.0490 0.00000
395 -0.1030 0.00000
396 -0.0395 0.00000
397 -0.0628 0.00000
398 -0.0690 0.00000
399 -0.0342 0.00000
400 -0.0823 0.00000
401 -0.1158 0.00000
402 -0.0422 0.00000
403 0.0071 0.00000
404 -0.0517 0.00000
405 -0.0140 0.00000
406 -0.0025 0.00000
407 -0.0849 0.00000
408 -0.0901 0.00000
409 -0.0546 0.00000
410 0.0081 0.00000
411 -0.0755 0.00000
412 -0.0323 0.00000
413 -0.0662 0.00000
414 -0.0483 0.00000
415 -0.0296 0.00000
416 -0.0332 0.00000
417 -0.0057 0.00000
418 -0.0619 0.00000
419 -0.0269 0.00000
420 0.0016 0.00000
421 -0.0399 0.00000
422 -0.0307 0.00000
423 -0.0640 0.00000
424 0.0038 0.00000
425 -0.0268 0.00000
426 0.0023 0.00000
427 -0.0292 0.00000
428 -0.0001 0.00000
429 -0.0464 0.00000
430 -0.0235 0.00000
431 -0.0901 0.00000
432 -0.0002 0.00000
433 -0.0512 0.00000
434 -0.0222 0.00000
435 -0.0150 0.00000
436 -0.0171 0.00000
437 -0.0772 0.00000
438 0.0244 0.00000
439 -0.0390 0.00000
440 -0.0812 0.00000
441 0.0416 0.00000
442 -0.0470 0.00000
443 -0.0784 0.00000
444 -0.0548 0.00000
445 -0.0775 0.00000
446 -0.0315 0.00000
447 -0.0301 0.00000
448 -0.0406 0.00000
449 0.0021 0.00000
450 -0.0567 0.00000
451 -0.0428 0.00000
452 -0.0543 0.00000
453 -0.0705 0.00000
454 -0.0398 0.00000
455 -0.0641 0.00000
456 -0.0027 0.00000
457 -0.0401 0.00000
458 -0.0587 0.00000
459 -0.0536 0.00000
460 -0.0879 0.00000
461 -0.0244 0.00000
462 -0.0363 0.00000
463 -0.0663 0.00000
464 -0.0239 0.00000
465 -0.0631 0.00000
466 -0.0682 0.00000
467 -0.0090 0.00000
468 -0.1000 0.00000
469 -0.0556 0.00000
470 -0.0442 0.00000
471 -0.0205 0.00000
472 -0.0887 0.00000
473 -0.0349 0.00000
474 -0.0718 0.00000
475 -0.0523 0.00000
476 -0.0601 0.00000
477 -0.0547 0.00000
478 -0.0993 0.00000
479 -0.1063 0.00000
480 -0.0917 0.00000
481 -0.0226 0.00000
482 -0.0144 0.00000
483 0.0061 0.00000
484 -0.0559 0.00000
485 -0.1170 0.00000
486 -0.0481 0.00000
487 -0.1442 0.00000
488 -0.0226 0.00000
489 -0.0282 0.00000
490 -0.0831 0.00000
491 -0.0147 0.00000
492 -0.0436 0.00000
493 -0.0411 0.00000
494 -0.0661 0.00000
495 -0.0393 0.00000
496 0.0012 0.00000
497 -0.0430 0.00000
498 -0.0259 0.00000
499 -0.0362 0.00000
500 -0.0575 0.00000
501 0.0105 0.00000
502 0.0101 0.00000
503 -0.0480 0.00000
504 -0.0227 0.00000
505 -0.0240 0.00000
506 -0.0346 0.00000
507 -0.0379 0.00000
508 -0.0154 0.00000
509 -0.0618 0.00000
510 -0.0477 0.00000
511 -0.0103 0.00000
512 -0.0209 0.00000
513 -0.0036 0.00000
514 -0.0181 0.00000
515 -0.0263 0.00000
516 0.0017 0.00000
517 0.0025 0.00000
518 -0.0382 0.00000
519 -0.0338 0.00000
520 -0.0222 0.00000
521 -0.0550 0.00000
522 -0.0362 0.00000
523 -0.1237 0.00000
524 -0.0222 0.00000
525 -0.0218 0.00000
526 0.1027 0.00000
527 -0.0856 0.00000
528 -0.0339 0.00000
529 -0.0246 0.00000
530 -0.0335 0.00000
531 0.0111 0.00000
532 -0.1030 0.00000
533 -0.0382 0.00000
534 -0.0357 0.00000
535 0.0077 0.00000
536 -0.0477 0.00000
537 -0.1444 0.00000
538 -0.0113 0.00000
539 -0.0573 0.00000
540 -0.0064 0.00000
541 0.0552 0.00000
542 -0.0817 0.00000
543 -0.0447 0.00000
544 -0.0431 0.00000
545 -0.0504 0.00000
546 -0.0165 0.00000
547 -0.0399 0.00000
548 0.0088 0.00000
549 -0.0335 0.00000
550 -0.0298 0.00000
551 -0.0035 0.00000
552 0.0082 0.00000
553 -0.0281 0.00000
554 -0.0238 0.00000
555 -0.0273 0.00000
556 -0.0406 0.00000
557 -0.0104 0.00000
558 -0.0079 0.00000
559 0.0130 0.00000
560 -0.0490 0.00000
561 -0.0083 0.00000
562 -0.0001 0.00000
563 -0.0165 0.00000
564 -0.0035 0.00000
565 -0.0436 0.00000
566 -0.0208 0.00000
567 -0.0445 0.00000
568 0.0161 0.00000
569 -0.0183 0.00000
570 0.0091 0.00000
571 0.0341 0.00000
572 -0.0073 0.00000
573 -0.0381 0.00000
574 -0.0371 0.00000
575 0.0335 0.00000
576 0.1476 0.00000
577 0.0489 0.00000
578 -0.0068 0.00000
579 -0.0387 0.00000
580 0.2229 0.00000
581 0.0517 0.00000
582 0.0058 0.00000
583 0.0878 0.00000
584 0.1230 0.00000
585 0.0460 0.00000
586 -0.0081 0.00000
587 0.0212 0.00000
588 -0.0317 0.00000
589 0.0617 0.00000
590 -0.0312 0.00000
591 -0.0129 0.00000
592 -0.0133 0.00000
593 -0.0052 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0258 0.00000
597 0.0205 0.00000
598 0.0742 0.00000
599 0.0137 0.00000
600 -0.0572 0.00000
601 0.0116 0.00000
602 -0.0720 0.00000
603 -0.0304 0.00000
604 -0.0079 0.00000
605 -0.0298 0.00000
606 0.0005 0.00000
607 0.1009 0.00000
608 0.0408 0.00000
609 -0.0526 0.00000
610 -0.0745 0.00000
611 -0.1101 0.00000
612 -0.0340 0.00000
613 -0.0118 0.00000
614 -0.0106 0.00000
615 -0.0304 0.00000
616 -0.1686 0.00000
617 -0.0366 0.00000
618 -0.0431 0.00000
619 -0.0146 0.00000
620 0.0010 0.00000
621 0.0397 0.00000
622 -0.1544 0.00000
623 0.0364 0.00000
624 -0.0423 0.00000
625 0.0049 0.00000
626 -0.0321 0.00000
627 -0.0246 0.00000
628 -0.0564 0.00000
629 -0.0020 0.00000
630 0.0014 0.00000
631 0.0007 0.00000
632 0.0055 0.00000
633 0.0523 0.00000
634 -0.0183 0.00000
635 -0.0644 0.00000
636 -0.0225 0.00000
637 -0.0695 0.00000
638 0.0016 0.00000
639 0.0212 0.00000
640 -0.0009 0.00000
641 -0.0403 0.00000
642 0.0027 0.00000
643 0.0061 0.00000
644 -0.0073 0.00000
645 -0.0220 0.00000
646 -0.0334 0.00000
647 -0.0014 0.00000
648 -0.0169 0.00000
649 0.0103 0.00000
650 0.0442 0.00000
651 -0.0080 0.00000
652 -0.0226 0.00000
653 -0.0820 0.00000
654 -0.0293 0.00000
655 0.0201 0.00000
656 -0.0098 0.00000
657 0.0084 0.00000
658 -0.0665 0.00000
659 -0.0278 0.00000
660 -0.0165 0.00000
661 -0.0038 0.00000
662 -0.0393 0.00000
663 -0.0243 0.00000
664 -0.0264 0.00000
665 -0.0499 0.00000
666 -0.0285 0.00000
667 -0.0033 0.00000
668 -0.0360 0.00000
669 -0.0347 0.00000
670 -0.0282 0.00000
671 -0.0334 0.00000
672 -0.0367 0.00000
673 -0.0312 0.00000
674 -0.0280 0.00000
675 -0.0236 0.00000
676 -0.0866 0.00000
677 -0.0516 0.00000
678 -0.1722 0.00000
679 0.0042 0.00000
680 -0.0380 0.00000
681 -0.0017 0.00000
682 0.0257 0.00000
683 -0.0080 0.00000
684 0.0255 0.00000
685 0.0099 0.00000
686 0.0352 0.00000
687 -0.0246 0.00000
688 -0.0263 0.00000
689 0.0294 0.00000
690 0.0020 0.00000
691 -0.0079 0.00000
692 -0.0610 0.00000
693 -0.0270 0.00000
694 -0.0196 0.00000
695 -0.0449 0.00000
696 -0.0347 0.00000
697 -0.0084 0.00000
698 0.0249 0.00000
699 -0.0453 0.00000
700 -0.0304 0.00000
701 -0.0014 0.00000
702 -0.0255 0.00000
703 0.0712 0.00000
704 -0.0973 0.00000
705 -0.0101 0.00000
706 -0.0705 0.00000
707 -0.0230 0.00000
708 -0.0619 0.00000
709 -0.0369 0.00000
710 -0.0022 0.00000
711 -0.0113 0.00000
712 -0.0331 0.00000
713 -0.0070 0.00000
714 0.0286 0.00000
715 0.0052 0.00000
716 -0.0085 0.00000
717 -0.0187 0.00000
718 -0.0245 0.00000
719 0.0027 0.00000
720 -0.0043 0.00000
721 -0.0140 0.00000
722 -0.0149 0.00000
723 -0.0190 0.00000
724 -0.0104 0.00000
725 -0.0184 0.00000
726 0.1270 0.00000
727 -0.0315 0.00000
728 -0.0305 0.00000
729 -0.0195 0.00000
730 0.0200 0.00000
731 -0.0333 0.00000
732 -0.0157 0.00000
733 0.0681 0.00000
734 -0.0157 0.00000
735 0.0143 0.00000
736 -0.0522 0.00000
737 0.0225 0.00000
738 0.0027 0.00000
739 0.0234 0.00000
740 -0.0496 0.00000
741 0.0002 0.00000
742 -0.0026 0.00000
743 -0.0286 0.00000
744 -0.0092 0.00000
745 -0.0223 0.00000
746 -0.0467 0.00000
747 -0.0755 0.00000
748 -0.0226 0.00000
749 -0.0235 0.00000
750 -0.0198 0.00000
751 0.0068 0.00000
752 0.0234 0.00000
753 -0.0764 0.00000
754 -0.0044 0.00000
755 -0.0026 0.00000
756 0.0011 0.00000
757 0.0691 0.00000
758 0.0164 0.00000
759 0.0133 0.00000
760 0.0172 0.00000
761 -0.0203 0.00000
762 0.0092 0.00000
763 -0.0423 0.00000
764 0.0240 0.00000
765 0.0422 0.00000
766 -0.0481 0.00000
767 0.0416 0.00000
768 0.1619 0.00000
769 -0.0058 0.00000
770 -0.0060 0.00000
771 0.0277 0.00000
772 -0.0263 0.00000
773 -0.0174 0.00000
774 -0.0307 0.00000
775 0.0035 0.00000
776 0.0450 0.00000
777 0.0730 0.00000
778 -0.0028 0.00000
779 0.0400 0.00000
780 0.0318 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0073 0.00000
2 0.0000 0.00000
3 -0.0483 0.00000
4 -0.1048 0.00000
5 -0.1345 0.00000
6 -0.0837 0.00000
7 0.0310 0.00000
8 -0.0202 0.00000
9 -0.1782 0.00000
10 -0.0201 0.00000
11 -0.0573 0.00000
12 0.1525 0.00000
13 -0.0109 0.00000
14 0.0883 0.00000
15 -0.2121 0.00000
16 0.0331 0.00000
17 0.0318 0.00000
18 -0.0736 0.00000
19 0.0593 0.00000
20 -0.0325 0.00000
21 -0.0970 0.00000
22 -0.1243 0.00000
23 -0.0585 0.00000
24 -0.0581 0.00000
25 -0.2126 0.00000
26 -0.1124 0.00000
27 -0.0836 0.00000
28 -0.2408 0.00000
29 -0.0555 0.00000
30 -0.0776 0.00000
31 -0.1911 0.00000
32 -0.3882 0.00000
33 -0.0262 0.00000
34 -0.0501 0.00000
35 -0.0051 0.00000
36 -0.0678 0.00000
37 -0.2305 0.00000
38 -0.0231 0.00000
39 -0.0617 0.00000
40 -0.0588 0.00000
41 -0.0864 0.00000
42 -0.0847 0.00000
43 -0.0805 0.00000
44 -0.1295 0.00000
45 -0.1930 0.00000
46 -0.1279 0.00000
47 -0.0734 0.00000
48 -0.0596 0.00000
49 -0.0561 0.00000
50 -0.0385 0.00000
51 -0.0089 0.00000
52 -0.1282 0.00000
53 -0.0231 0.00000
54 0.0107 0.00000
55 -0.0753 0.00000
56 -0.0725 0.00000
57 -0.0716 0.00000
58 -0.1422 0.00000
59 -0.1540 0.00000
60 -0.1138 0.00000
61 -0.2326 0.00000
62 -0.0668 0.00000
63 -0.1059 0.00000
64 -0.0247 0.00000
65 -0.0944 0.00000
66 -0.0877 0.00000
67 -0.1664 0.00000
68 -0.0685 0.00000
69 -0.0038 0.00000
70 0.0945 0.00000
71 -0.0852 0.00000
72 -0.0260 0.00000
73 0.0290 0.00000
74 0.0392 0.00000
75 -0.0134 0.00000
76 0.0585 0.00000
77 0.0272 0.00000
78 -0.0326 0.00000
79 -0.0716 0.00000
80 -0.0125 0.00000
81 -0.1190 0.00000
82 0.0841 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0257 0.00000
90 -0.0189 0.00000
91 -0.0111 0.00000
92 0.0771 0.00000
93 -0.0412 0.00000
94 -0.0513 0.00000
95 -0.0298 0.00000
96 0.0080 0.00000
97 -0.0579 0.00000
98 0.3090 0.00000
99 0.2913 0.00000
100 0.0237 0.00000
101 0.6721 0.00000
102 -0.0135 0.00000
103 0.2384 0.00000
104 0.0134 0.00000
105 -0.0109 0.00000
106 -0.0246 0.00000
107 -0.0182 0.00000
108 0.0963 0.00000
109 0.0068 0.00000
110 -0.0176 0.00000
111 -0.0542 0.00000
112 0.1802 0.00000
113 -0.0158 0.00000
114 0.3380 0.00000
115 -0.0552 0.00000
116 -0.0043 0.00000
117 0.2040 0.00000
118 -0.0001 0.00000
119 -0.0138 0.00000
120 0.0222 0.00000
121 0.0979 0.00000
122 0.0945 0.00000
123 0.0003 0.00000
124 0.0053 0.00000
125 0.0668 0.00000
126 0.4263 0.00000
127 -0.0348 0.00000
128 -0.0078 0.00000
129 0.0292 0.00000
130 0.0918 0.00000
131 0.1338 0.00000
132 -0.0523 0.00000
133 -0.0299 0.00000
134 0.1181 0.00000
135 -0.0278 0.00000
136 -0.0200 0.00000
137 -0.0502 0.00000
138 -0.0598 0.00000
139 0.0058 0.00000
140 -0.0133 0.00000
141 0.0165 0.00000
142 -0.0362 0.00000
143 -0.0133 0.00000
144 -0.0221 0.00000
145 -0.0342 0.00000
146 -0.0322 0.00000
147 -0.0190 0.00000
148 -0.0290 0.00000
149 -0.1164 0.00000
150 -0.0420 0.00000
151 -0.0309 0.00000
152 -0.0913 0.00000
153 0.0033 0.00000
154 0.0034 0.00000
155 -0.0274 0.00000
156 -0.0004 0.00000
157 -0.1509 0.00000
158 -0.1121 0.00000
159 -0.0278 0.00000
160 -0.0350 0.00000
161 -0.0158 0.00000
162 -0.0168 0.00000
163 -0.1496 0.00000
164 -0.4042 0.00000
165 -0.0606 0.00000
166 -0.0741 0.00000
167 -0.0687 0.00000
168 -0.0300 0.00000
169 -0.0288 0.00000
170 -0.0285 0.00000
171 -0.0977 0.00000
172 -0.0515 0.00000
173 -0.0632 0.00000
174 -0.0675 0.00000
175 -0.0713 0.00000
176 -0.0440 0.00000
177 -0.1727 0.00000
178 -0.1147 0.00000
179 -0.1089 0.00000
180 -0.0526 0.00000
181 -0.0303 0.00000
182 -0.0854 0.00000
183 -0.0404 0.00000
184 0.0056 0.00000
185 -0.0456 0.00000
186 -0.0287 0.00000
187 -0.0575 0.00000
188 -0.2093 0.00000
189 -0.0381 0.00000
190 -0.0558 0.00000
191 -0.0411 0.00000
192 -0.0404 0.00000
193 -0.0461 0.00000
194 -0.0962 0.00000
195 -0.0459 0.00000
196 -0.0842 0.00000
197 -0.0635 0.00000
198 -0.0986 0.00000
199 -0.0658 0.00000
200 -0.0586 0.00000
201 -0.0065 0.00000
202 -0.0053 0.00000
203 -0.0413 0.00000
204 -0.0899 0.00000
205 -0.0560 0.00000
206 -0.1041 0.00000
207 -0.0430 0.00000
208 -0.0342 0.00000
209 0.0118 0.00000
210 -0.0567 0.00000
211 -0.0275 0.00000
212 -0.0422 0.00000
213 0.0059 0.00000
214 -0.0266 0.00000
215 0.0237 0.00000
216 -0.0100 0.00000
217 -0.0971 0.00000
218 -0.0640 0.00000
219 -0.3625 0.00000
220 -0.0245 0.00000
221 -0.2166 0.00000
222 0.0167 0.00000
223 -0.0498 0.00000
224 -0.0519 0.00000
225 -0.0677 0.00000
226 -0.0397 0.00000
227 0.0001 0.00000
228 0.0123 0.00000
229 -0.0498 0.00000
230 0.1294 0.00000
231 0.0413 0.00000
232 -0.0197 0.00000
233 -0.0174 0.00000
234 -0.0675 0.00000
235 0.0166 0.00000
236 -0.0082 0.00000
237 0.0086 0.00000
238 0.0542 0.00000
239 0.0419 0.00000
240 -0.0212 0.00000
241 0.0024 0.00000
242 0.0390 0.00000
243 -0.0472 0.00000
244 0.0291 0.00000
245 0.0582 0.00000
246 0.0468 0.00000
247 -0.0668 0.00000
248 -0.3038 0.00000
249 0.0275 0.00000
250 -0.0223 0.00000
251 -0.0309 0.00000
252 -0.0479 0.00000
253 0.0185 0.00000
254 -0.0082 0.00000
255 -0.0203 0.00000
256 0.0096 0.00000
257 0.0016 0.00000
258 -0.0176 0.00000
259 0.0059 0.00000
260 0.0358 0.00000
261 -0.0252 0.00000
262 0.0023 0.00000
263 0.0465 0.00000
264 0.0565 0.00000
265 0.0280 0.00000
266 0.0192 0.00000
267 0.0003 0.00000
268 0.0554 0.00000
269 0.0215 0.00000
270 0.1271 0.00000
271 -0.0251 0.00000
272 0.2347 0.00000
273 0.0797 0.00000
274 -0.0144 0.00000
275 0.0074 0.00000
276 0.0613 0.00000
277 -0.0277 0.00000
278 0.0206 0.00000
279 -0.0322 0.00000
280 0.0193 0.00000
281 -0.0268 0.00000
282 0.0335 0.00000
283 0.0082 0.00000
284 0.0499 0.00000
285 0.1189 0.00000
286 -0.0614 0.00000
287 -0.0002 0.00000
288 0.0296 0.00000
289 0.0026 0.00000
290 0.0205 0.00000
291 0.0883 0.00000
292 -0.0213 0.00000
293 0.0165 0.00000
294 -0.0524 0.00000
295 -0.0263 0.00000
296 0.0662 0.00000
297 0.0737 0.00000
298 0.0261 0.00000
299 0.1756 0.00000
300 0.0770 0.00000
301 0.0416 0.00000
302 0.0056 0.00000
303 0.1234 0.00000
304 0.0750 0.00000
305 -0.0221 0.00000
306 0.4304 0.00000
307 0.0564 0.00000
308 0.0158 0.00000
309 -0.0095 0.00000
310 -0.0436 0.00000
311 0.2478 0.00000
312 0.1968 0.00000
313 -0.0279 0.00000
314 -0.0078 0.00000
315 0.0796 0.00000
316 0.3431 0.00000
317 0.0221 0.00000
318 -0.0624 0.00000
319 0.0720 0.00000
320 0.0264 0.00000
321 0.0054 0.00000
322 0.1092 0.00000
323 -0.0043 0.00000
324 0.1175 0.00000
325 0.0321 0.00000
326 0.0240 0.00000
327 0.0639 0.00000
328 0.1923 0.00000
329 -0.0128 0.00000
330 0.0413 0.00000
331 -0.0031 0.00000
332 0.0356 0.00000
333 0.0623 0.00000
334 0.0253 0.00000
335 0.1603 0.00000
336 0.1702 0.00000
337 -0.0330 0.00000
338 -0.0675 0.00000
339 0.2150 0.00000
340 -0.0023 0.00000
341 0.0371 0.00000
342 -0.0057 0.00000
343 0.0226 0.00000
344 -0.0228 0.00000
345 0.0242 0.00000
346 0.0101 0.00000
347 0.0449 0.00000
348 -0.0127 0.00000
349 -0.0349 0.00000
350 -0.0501 0.00000
351 -0.0328 0.00000
352 -0.0413 0.00000
353 -0.0551 0.00000
354 -0.0054 0.00000
355 0.0012 0.00000
356 -0.0226 0.00000
357 0.0386 0.00000
358 0.0764 0.00000
359 0.0228 0.00000
360 0.0642 0.00000
361 0.0052 0.00000
362 -0.0634 0.00000
363 -0.0354 0.00000
364 -0.0313 0.00000
365 -0.0611 0.00000
366 -0.0455 0.00000
367 -0.0563 0.00000
368 0.0407 0.00000
369 0.0208 0.00000
370 -0.0454 0.00000
371 -0.1469 0.00000
372 -0.0642 0.00000
373 -0.0320 0.00000
374 -0.0447 0.00000
375 -0.0329 0.00000
376 -0.0358 0.00000
377 -0.0438 0.00000
378 -0.0529 0.00000
379 -0.0442 0.00000
380 -0.0566 0.00000
381 -0.0489 0.00000
382 -0.0077 0.00000
383 -0.0282 0.00000
384 0.0012 0.00000
385 -0.1255 0.00000
386 -0.0940 0.00000
387 0.0013 0.00000
388 -0.0319 0.00000
389 -0.0094 0.00000
390 -0.0540 0.00000
391 -0.0396 0.00000
392 -0.0298 0.00000
393 -0.0447 0.00000
394 -0.1199 0.00000
395 -0.0143 0.00000
396 -0.0736 0.00000
397 -0.0585 0.00000
398 -0.0626 0.00000
399 -0.0412 0.00000
400 -0.0380 0.00000
401 -0.0462 0.00000
402 -0.0160 0.00000
403 -0.0414 0.00000
404 -0.0500 0.00000
405 -0.0911 0.00000
406 -0.0010 0.00000
407 -0.0288 0.00000
408 -0.0595 0.00000
409 -0.0579 0.00000
410 -0.0673 0.00000
411 -0.0910 0.00000
412 -0.0358 0.00000
413 -0.0592 0.00000
414 -0.0203 0.00000
415 -0.0774 0.00000
416 0.0346 0.00000
417 -0.0424 0.00000
418 -0.0088 0.00000
419 -0.0357 0.00000
420 -0.0379 0.00000
421 0.0137 0.00000
422 -0.0728 0.00000
423 -0.0356 0.00000
424 -0.0082 0.00000
425 -0.0062 0.00000
426 -0.0738 0.00000
427 -0.0376 0.00000
428 -0.0332 0.00000
429 -0.0389 0.00000
430 -0.0460 0.00000
431 -0.0004 0.00000
432 -0.0356 0.00000
433 -0.0337 0.00000
434 -0.0329 0.00000
435 -0.0809 0.00000
436 -0.0074 0.00000
437 -0.1215 0.00000
438 0.0019 0.00000
439 -0.0153 0.00000
440 -0.0634 0.00000
441 -0.0335 0.00000
442 -0.0429 0.00000
443 -0.0329 0.00000
444 -0.0164 0.00000
445 -0.0009 0.00000
446 -0.0669 0.00000
447 -0.0219 0.00000
448 -0.0405 0.00000
449 -0.0865 0.00000
450 -0.0500 0.00000
451 -0.0501 0.00000
452 -0.0157 0.00000
453 -0.0433 0.00000
454 -0.0676 0.00000
455 -0.0598 0.00000
456 0.0232 0.00000
457 -0.0678 0.00000
458 -0.0273 0.00000
459 -0.0095 0.00000
460 0.0064 0.00000
461 -0.0610 0.00000
462 -0.0213 0.00000
463 -0.0824 0.00000
464 -0.0151 0.00000
465 -0.0214 0.00000
466 -0.0438 0.00000
467 -0.0588 0.00000
468 -0.0338 0.00000
469 -0.0154 0.00000
470 -0.2166 0.00000
471 -0.0899 0.00000
472 -0.1004 0.00000
473 -0.0306 0.00000
474 -0.0334 0.00000
475 -0.0275 0.00000
476 -0.0406 0.00000
477 -0.0381 0.00000
478 -0.0585 0.00000
479 -0.0364 0.00000
480 -0.0424 0.00000
481 -0.0355 0.00000
482 -0.0700 0.00000
483 -0.0017 0.00000
484 -0.0740 0.00000
485 -0.0186 0.00000
486 -0.2803 0.00000
487 -0.0498 0.00000
488 -0.0644 0.00000
489 -0.0394 0.00000
490 -0.0285 0.00000
491 -0.1023 0.00000
492 -0.0421 0.00000
493 -0.0435 0.00000
494 -0.0709 0.00000
495 -0.0112 0.00000
496 -0.0371 0.00000
497 -0.0338 0.00000
498 -0.0097 0.00000
499 -0.0076 0.00000
500 0.0192 0.00000
501 -0.0245 0.00000
502 -0.0034 0.00000
503 -0.0687 0.00000
504 -0.0880 0.00000
505 -0.0612 0.00000
506 -0.0611 0.00000
507 0.0232 0.00000
508 -0.0130 0.00000
509 -0.0544 0.00000
510 -0.0937 0.00000
511 -0.0451 0.00000
512 0.0176 0.00000
513 -0.0254 0.00000
514 -0.0333 0.00000
515 -0.0385 0.00000
516 -0.0295 0.00000
517 0.1005 0.00000
518 -0.0104 0.00000
519 -0.0075 0.00000
520 -0.0860 0.00000
521 -0.0291 0.00000
522 0.0206 0.00000
523 -0.0399 0.00000
524 -0.0353 0.00000
525 -0.0146 0.00000
526 -0.0067 0.00000
527 0.0738 0.00000
528 -0.0617 0.00000
529 -0.0438 0.00000
530 -0.0190 0.00000
531 -0.0992 0.00000
532 -0.0154 0.00000
533 -0.0754 0.00000
534 -0.2104 0.00000
535 -0.0254 0.00000
536 -0.0648 0.00000
537 -0.0296 0.00000
538 0.0015 0.00000
539 -0.0426 0.00000
540 -0.0074 0.00000
541 -0.0196 0.00000
542 -0.0193 0.00000
543 -0.0138 0.00000
544 -0.0336 0.00000
545 -0.0459 0.00000
546 -0.0594 0.00000
547 0.0897 0.00000
548 -0.0603 0.00000
549 -0.0287 0.00000
550 -0.0394 0.00000
551 -0.0415 0.00000
552 0.0420 0.00000
553 -0.0083 0.00000
554 -0.0345 0.00000
555 -0.0291 0.00000
556 -0.0725 0.00000
557 0.0238 0.00000
558 0.0022 0.00000
559 -0.0402 0.00000
560 0.0365 0.00000
561 -0.0424 0.00000
562 -0.0127 0.00000
563 -0.0137 0.00000
564 -0.0352 0.00000
565 -0.1054 0.00000
566 -0.0301 0.00000
567 -0.0156 0.00000
568 0.0088 0.00000
569 -0.0285 0.00000
570 -0.0027 0.00000
571 0.0369 0.00000
572 0.0617 0.00000
573 0.0344 0.00000
574 -0.0142 0.00000
575 0.0763 0.00000
576 0.0725 0.00000
577 -0.0501 0.00000
578 -0.0348 0.00000
579 0.0398 0.00000
580 0.2555 0.00000
581 0.0558 0.00000
582 0.0819 0.00000
583 0.0084 0.00000
584 0.1611 0.00000
585 -0.0085 0.00000
586 -0.0249 0.00000
587 0.0262 0.00000
588 -0.0329 0.00000
589 0.0615 0.00000
590 -0.0360 0.00000
591 -0.0071 0.00000
592 -0.0159 0.00000
593 -0.0044 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0257 0.00000
597 0.0201 0.00000
598 0.0869 0.00000
599 0.0405 0.00000
600 -0.0068 0.00000
601 -0.0531 0.00000
602 -0.0357 0.00000
603 -0.0154 0.00000
604 -0.0490 0.00000
605 0.0313 0.00000
606 -0.0147 0.00000
607 0.0280 0.00000
608 -0.1083 0.00000
609 -0.0366 0.00000
610 -0.0137 0.00000
611 -0.0267 0.00000
612 -0.0511 0.00000
613 0.0098 0.00000
614 -0.2658 0.00000
615 -0.0279 0.00000
616 -0.1056 0.00000
617 -0.0143 0.00000
618 0.0194 0.00000
619 -0.0419 0.00000
620 0.0366 0.00000
621 -0.0631 0.00000
622 0.0469 0.00000
623 -0.0220 0.00000
624 -0.0008 0.00000
625 -0.0255 0.00000
626 -0.0294 0.00000
627 -0.0726 0.00000
628 0.0208 0.00000
629 -0.0028 0.00000
630 -0.0476 0.00000
631 0.0319 0.00000
632 -0.0404 0.00000
633 -0.0308 0.00000
634 0.0440 0.00000
635 0.0507 0.00000
636 0.0397 0.00000
637 0.0197 0.00000
638 0.0077 0.00000
639 0.0055 0.00000
640 0.0041 0.00000
641 -0.0882 0.00000
642 -0.0194 0.00000
643 0.0231 0.00000
644 -0.0216 0.00000
645 -0.0736 0.00000
646 0.0033 0.00000
647 0.0007 0.00000
648 -0.1386 0.00000
649 -0.0783 0.00000
650 -0.0492 0.00000
651 -0.0100 0.00000
652 -0.0010 0.00000
653 0.0185 0.00000
654 -0.0166 0.00000
655 0.0010 0.00000
656 -0.0288 0.00000
657 -0.0048 0.00000
658 -0.0198 0.00000
659 -0.0103 0.00000
660 -0.0124 0.00000
661 -0.0307 0.00000
662 0.0022 0.00000
663 -0.0246 0.00000
664 -0.0410 0.00000
665 -0.0832 0.00000
666 -0.0541 0.00000
667 -0.0159 0.00000
668 -0.0280 0.00000
669 -0.0012 0.00000
670 -0.0349 0.00000
671 0.0055 0.00000
672 0.0108 0.00000
673 -0.0192 0.00000
674 0.0325 0.00000
675 -0.0152 0.00000
676 -0.0015 0.00000
677 -0.0876 0.00000
678 -0.0246 0.00000
679 -0.0369 0.00000
680 -0.0174 0.00000
681 -0.0296 0.00000
682 -0.0192 0.00000
683 -0.0416 0.00000
684 0.0153 0.00000
685 0.0109 0.00000
686 0.0038 0.00000
687 0.0014 0.00000
688 -0.0395 0.00000
689 -0.0075 0.00000
690 -0.0244 0.00000
691 -0.0068 0.00000
692 -0.0159 0.00000
693 -0.1666 0.00000
694 -0.0153 0.00000
695 0.0366 0.00000
696 -0.0214 0.00000
697 -0.0501 0.00000
698 -0.0517 0.00000
699 -0.0612 0.00000
700 -0.0063 0.00000
701 0.0280 0.00000
702 0.0034 0.00000
703 -0.0307 0.00000
704 -0.0316 0.00000
705 0.0085 0.00000
706 0.0266 0.00000
707 -0.0596 0.00000
708 -0.0106 0.00000
709 -0.0267 0.00000
710 0.0344 0.00000
711 -0.0329 0.00000
712 -0.0073 0.00000
713 -0.0126 0.00000
714 -0.0523 0.00000
715 -0.0135 0.00000
716 -0.0056 0.00000
717 0.0247 0.00000
718 -0.0061 0.00000
719 0.0182 0.00000
720 0.0060 0.00000
721 -0.0185 0.00000
722 0.0133 0.00000
723 -0.0410 0.00000
724 0.0422 0.00000
725 -0.0143 0.00000
726 0.0242 0.00000
727 -0.0169 0.00000
728 0.0438 0.00000
729 -0.1044 0.00000
730 -0.0025 0.00000
731 -0.0055 0.00000
732 0.0211 0.00000
733 -0.0658 0.00000
734 -0.0398 0.00000
735 -0.0379 0.00000
736 -0.0483 0.00000
737 -0.0168 0.00000
738 0.0034 0.00000
739 -0.0079 0.00000
740 0.0261 0.00000
741 0.0048 0.00000
742 -0.0477 0.00000
743 0.0453 0.00000
744 -0.0262 0.00000
745 0.0297 0.00000
746 -0.0666 0.00000
747 -0.0410 0.00000
748 -0.0449 0.00000
749 0.0117 0.00000
750 -0.0008 0.00000
751 -0.0137 0.00000
752 -0.0798 0.00000
753 0.0143 0.00000
754 0.0519 0.00000
755 -0.0630 0.00000
756 0.0043 0.00000
757 -0.0071 0.00000
758 -0.0095 0.00000
759 -0.0342 0.00000
760 -0.0085 0.00000
761 -0.0092 0.00000
762 0.0101 0.00000
763 -0.0372 0.00000
764 -0.0305 0.00000
765 0.0409 0.00000
766 -0.0486 0.00000
767 0.0567 0.00000
768 -0.0177 0.00000
769 -0.0109 0.00000
770 0.0281 0.00000
771 0.0710 0.00000
772 -0.0004 0.00000
773 0.0213 0.00000
774 0.0090 0.00000
775 0.0086 0.00000
776 0.0800 0.00000
777 0.0469 0.00000
778 0.0230 0.00000
779 0.0021 0.00000
780 0.0361 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0073 0.00000
2 0.0001 0.00000
3 -0.0483 0.00000
4 -0.1057 0.00000
5 -0.1333 0.00000
6 -0.0845 0.00000
7 0.0309 0.00000
8 -0.0205 0.00000
9 -0.1769 0.00000
10 -0.0197 0.00000
11 -0.0570 0.00000
12 0.1517 0.00000
13 -0.0111 0.00000
14 0.0885 0.00000
15 -0.2136 0.00000
16 0.0579 0.00000
17 -0.0168 0.00000
18 -0.0524 0.00000
19 0.0747 0.00000
20 -0.0480 0.00000
21 -0.0969 0.00000
22 -0.1307 0.00000
23 -0.0421 0.00000
24 0.0413 0.00000
25 -0.2973 0.00000
26 -0.1018 0.00000
27 -0.1074 0.00000
28 -0.3380 0.00000
29 -0.0405 0.00000
30 -0.0828 0.00000
31 -0.1527 0.00000
32 -0.3046 0.00000
33 -0.0513 0.00000
34 -0.0708 0.00000
35 0.0050 0.00000
36 -0.1220 0.00000
37 -0.1234 0.00000
38 -0.0292 0.00000
39 -0.0636 0.00000
40 -0.1229 0.00000
41 -0.0830 0.00000
42 -0.1180 0.00000
43 -0.0807 0.00000
44 -0.1470 0.00000
45 -0.1110 0.00000
46 -0.0465 0.00000
47 -0.1547 0.00000
48 -0.1059 0.00000
49 -0.0752 0.00000
50 -0.0423 0.00000
51 0.0089 0.00000
52 -0.1206 0.00000
53 -0.0125 0.00000
54 0.0630 0.00000
55 -0.0464 0.00000
56 -0.1441 0.00000
57 -0.1461 0.00000
58 -0.0707 0.00000
59 -0.1688 0.00000
60 -0.0590 0.00000
61 -0.1508 0.00000
62 -0.1786 0.00000
63 -0.1325 0.00000
64 -0.0890 0.00000
65 -0.0828 0.00000
66 -0.0696 0.00000
67 -0.1587 0.00000
68 -0.0507 0.00000
69 0.0619 0.00000
70 0.0649 0.00000
71 -0.0890 0.00000
72 -0.0258 0.00000
73 0.0106 0.00000
74 0.0569 0.00000
75 0.0003 0.00000
76 0.0388 0.00000
77 0.0315 0.00000
78 -0.0355 0.00000
79 -0.0686 0.00000
80 -0.0125 0.00000
81 -0.1190 0.00000
82 0.0844 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0273 0.00000
90 -0.0208 0.00000
91 -0.0260 0.00000
92 0.0913 0.00000
93 -0.0354 0.00000
94 -0.0535 0.00000
95 -0.0173 0.00000
96 -0.0326 0.00000
97 -0.0650 0.00000
98 0.2867 0.00000
99 0.4339 0.00000
100 -0.0328 0.00000
101 0.6661 0.00000
102 -0.0572 0.00000
103 0.2441 0.00000
104 0.0651 0.00000
105 -0.0461 0.00000
106 -0.0239 0.00000
107 -0.0583 0.00000
108 0.0965 0.00000
109 -0.0009 0.00000
110 -0.0265 0.00000
111 -0.0136 0.00000
112 0.0844 0.00000
113 0.1110 0.00000
114 0.3574 0.00000
115 -0.0707 0.00000
116 -0.0084 0.00000
117 0.2072 0.00000
118 0.0013 0.00000
119 -0.0130 0.00000
120 -0.0094 0.00000
121 -0.0538 0.00000
122 0.2518 0.00000
123 -0.0306 0.00000
124 0.0236 0.00000
125 0.0806 0.00000
126 0.3893 0.00000
127 -0.0308 0.00000
128 0.1028 0.00000
129 0.0133 0.00000
130 0.0049 0.00000
131 0.1258 0.00000
132 -0.0226 0.00000
133 -0.0319 0.00000
134 0.1256 0.00000
135 -0.0273 0.00000
136 -0.0070 0.00000
137 -0.0584 0.00000
138 -0.0668 0.00000
139 0.0045 0.00000
140 -0.0125 0.00000
141 0.0162 0.00000
142 -0.0360 0.00000
143 -0.0119 0.00000
144 -0.0240 0.00000
145 -0.0339 0.00000
146 -0.0314 0.00000
147 -0.0193 0.00000
148 -0.0362 0.00000
149 -0.1140 0.00000
150 -0.0366 0.00000
151 -0.0223 0.00000
152 -0.0674 0.00000
153 0.0425 0.00000
154 -0.0691 0.00000
155 -0.0047 0.00000
156 -0.1014 0.00000
157 -0.0903 0.00000
158 0.0133 0.00000
159 -0.1193 0.00000
160 -0.0734 0.00000
161 -0.0052 0.00000
162 -0.0562 0.00000
163 -0.0946 0.00000
164 -0.3507 0.00000
165 -0.0352 0.00000
166 -0.0497 0.00000
167 -0.1014 0.00000
168 -0.0742 0.00000
169 -0.0647 0.00000
170 -0.0272 0.00000
171 -0.1426 0.00000
172 -0.0474 0.00000
173 -0.0385 0.00000
174 -0.1043 0.00000
175 -0.0714 0.00000
176 -0.1811 0.00000
177 -0.0282 0.00000
178 -0.0349 0.00000
179 -0.0223 0.00000
180 -0.0770 0.00000
181 -0.0783 0.00000
182 -0.1007 0.00000
183 -0.0340 0.00000
184 -0.0627 0.00000
185 -0.0494 0.00000
186 -0.0253 0.00000
187 -0.1708 0.00000
188 -0.0182 0.00000
189 -0.0272 0.00000
190 -0.1173 0.00000
191 -0.0330 0.00000
192 -0.0708 0.00000
193 -0.0359 0.00000
194 -0.0902 0.00000
195 -0.0442 0.00000
196 -0.1048 0.00000
197 -0.0572 0.00000
198 -0.0741 0.00000
199 -0.0979 0.00000
200 -0.0005 0.00000
201 -0.0381 0.00000
202 0.0103 0.00000
203 -0.0087 0.00000
204 -0.1132 0.00000
205 -0.1349 0.00000
206 -0.0587 0.00000
207 -0.0532 0.00000
208 0.0101 0.00000
209 -0.0073 0.00000
210 -0.0905 0.00000
211 0.0276 0.00000
212 -0.0603 0.00000
213 -0.0409 0.00000
214 0.0150 0.00000
215 0.0315 0.00000
216 -0.1065 0.00000
217 -0.0178 0.00000
218 -0.0714 0.00000
219 -0.0671 0.00000
220 -0.1338 0.00000
221 -0.2510 0.00000
222 -0.1109 0.00000
223 -0.0868 0.00000
224 -0.0128 0.00000
225 -0.0694 0.00000
226 -0.0495 0.00000
227 -0.0039 0.00000
228 -0.0041 0.00000
229 -0.0513 0.00000
230 0.1560 0.00000
231 0.0416 0.00000
232 -0.0106 0.00000
233 -0.0258 0.00000
234 -0.0709 0.00000
235 0.0243 0.00000
236 0.0024 0.00000
237 0.0188 0.00000
238 0.0169 0.00000
239 0.0142 0.00000
240 -0.0127 0.00000
241 0.0338 0.00000
242 0.0574 0.00000
243 -0.0452 0.00000
244 0.0894 0.00000
245 0.0164 0.00000
246 -0.0245 0.00000
247 -0.1307 0.00000
248 -0.1512 0.00000
249 0.0298 0.00000
250 -0.0894 0.00000
251 -0.0385 0.00000
252 -0.0536 0.00000
253 0.0010 0.00000
254 0.0557 0.00000
255 -0.0065 0.00000
256 -0.0178 0.00000
257 0.0017 0.00000
258 -0.0247 0.00000
259 -0.0165 0.00000
260 0.0140 0.00000
261 0.0642 0.00000
262 0.0160 0.00000
263 0.0269 0.00000
264 0.0579 0.00000
265 0.0110 0.00000
266 0.0480 0.00000
267 0.0429 0.00000
268 -0.0971 0.00000
269 0.0004 0.00000
270 0.0993 0.00000
271 0.1765 0.00000
272 0.0738 0.00000
273 0.0146 0.00000
274 0.0515 0.00000
275 0.0027 0.00000
276 0.0017 0.00000
277 -0.0131 0.00000
278 -0.0632 0.00000
279 0.0713 0.00000
280 -0.0028 0.00000
281 0.0401 0.00000
282 0.0050 0.00000
283 0.0411 0.00000
284 0.0627 0.00000
285 -0.0014 0.00000
286 0.0573 0.00000
287 -0.0272 0.00000
288 -0.0269 0.00000
289 0.0384 0.00000
290 0.1593 0.00000
291 0.0306 0.00000
292 -0.0014 0.00000
293 0.1054 0.00000
294 0.0008 0.00000
295 -0.0670 0.00000
296 -0.0179 0.00000
297 0.0088 0.00000
298 0.0190 0.00000
299 0.1773 0.00000
300 0.0733 0.00000
301 0.0424 0.00000
302 0.0867 0.00000
303 0.2361 0.00000
304 0.0480 0.00000
305 0.1242 0.00000
306 -0.0552 0.00000
307 0.0032 0.00000
308 0.2304 0.00000
309 0.1080 0.00000
310 0.0330 0.00000
311 0.2398 0.00000
312 0.0453 0.00000
313 0.1263 0.00000
314 0.0995 0.00000
315 0.0064 0.00000
316 0.1753 0.00000
317 0.0277 0.00000
318 0.0652 0.00000
319 -0.0076 0.00000
320 0.1637 0.00000
321 -0.0633 0.00000
322 0.1212 0.00000
323 -0.0548 0.00000
324 0.0379 0.00000
325 0.0703 0.00000
326 0.0487 0.00000
327 0.0531 0.00000
328 0.0505 0.00000
329 0.1349 0.00000
330 -0.0496 0.00000
331 0.1629 0.00000
332 0.0171 0.00000
333 -0.0292 0.00000
334 0.0956 0.00000
335 -0.0787 0.00000
336 0.0016 0.00000
337 -0.0558 0.00000
338 -0.0261 0.00000
339 0.0323 0.00000
340 0.1767 0.00000
341 0.2510 0.00000
342 0.0165 0.00000
343 0.0307 0.00000
344 0.0000 0.00000
345 -0.0019 0.00000
346 -0.0394 0.00000
347 0.0284 0.00000
348 0.0608 0.00000
349 -0.0241 0.00000
350 0.0622 0.00000
351 -0.0386 0.00000
352 -0.0194 0.00000
353 -0.0245 0.00000
354 -0.0426 0.00000
355 -0.0070 0.00000
356 0.0251 0.00000
357 -0.0463 0.00000
358 0.0744 0.00000
359 0.0058 0.00000
360 0.0180 0.00000
361 -0.0125 0.00000
362 -0.0380 0.00000
363 -0.0349 0.00000
364 -0.1163 0.00000
365 -0.1274 0.00000
366 0.0668 0.00000
367 0.0203 0.00000
368 -0.0011 0.00000
369 -0.0166 0.00000
370 0.0251 0.00000
371 -0.1717 0.00000
372 -0.0297 0.00000
373 -0.0598 0.00000
374 -0.0074 0.00000
375 -0.0256 0.00000
376 -0.0614 0.00000
377 0.0212 0.00000
378 -0.0977 0.00000
379 -0.0321 0.00000
380 0.0033 0.00000
381 -0.0307 0.00000
382 -0.0418 0.00000
383 -0.0420 0.00000
384 -0.1169 0.00000
385 -0.0562 0.00000
386 -0.0177 0.00000
387 -0.0501 0.00000
388 -0.1172 0.00000
389 -0.0157 0.00000
390 -0.0369 0.00000
391 -0.0232 0.00000
392 -0.0718 0.00000
393 -0.0219 0.00000
394 -0.1068 0.00000
395 0.0031 0.00000
396 -0.0771 0.00000
397 -0.0586 0.00000
398 -0.0413 0.00000
399 -0.1022 0.00000
400 -0.0519 0.00000
401 -0.0159 0.00000
402 -0.0623 0.00000
403 -0.0576 0.00000
404 -0.0012 0.00000
405 -0.0667 0.00000
406 -0.0415 0.00000
407 -0.0825 0.00000
408 -0.0813 0.00000
409 -0.0261 0.00000
410 -0.0229 0.00000
411 -0.0656 0.00000
412 -0.0424 0.00000
413 0.0177 0.00000
414 -0.0428 0.00000
415 -0.0506 0.00000
416 -0.0793 0.00000
417 -0.0094 0.00000
418 -0.0286 0.00000
419 -0.0248 0.00000
420 0.0045 0.00000
421 -0.0335 0.00000
422 -0.0766 0.00000
423 -0.0159 0.00000
424 -0.0295 0.00000
425 -0.0361 0.00000
426 -0.0345 0.00000
427 -0.0442 0.00000
428 -0.0175 0.00000
429 -0.0119 0.00000
430 -0.0259 0.00000
431 -0.0122 0.00000
432 -0.0297 0.00000
433 -0.0300 0.00000
434 -0.0753 0.00000
435 -0.0245 0.00000
436 -0.0491 0.00000
437 -0.0521 0.00000
438 0.0329 0.00000
439 -0.0033 0.00000
440 -0.1013 0.00000
441 -0.0361 0.00000
442 -0.0344 0.00000
443 0.0057 0.00000
444 -0.0478 0.00000
445 -0.0445 0.00000
446 0.0240 0.00000
447 -0.0378 0.00000
448 -0.0708 0.00000
449 -0.0296 0.00000
450 -0.0196 0.00000
451 -0.0375 0.00000
452 -0.1213 0.00000
453 -0.0190 0.00000
454 -0.1083 0.00000
455 -0.0566 0.00000
456 -0.0454 0.00000
457 -0.0745 0.00000
458 -0.0454 0.00000
459 -0.0287 0.00000
460 -0.0442 0.00000
461 -0.0760 0.00000
462 -0.0614 0.00000
463 0.0091 0.00000
464 -0.0477 0.00000
465 -0.0478 0.00000
466 -0.0230 0.00000
467 -0.0684 0.00000
468 -0.0217 0.00000
469 -0.0456 0.00000
470 -0.0349 0.00000
471 -0.0988 0.00000
472 -0.0236 0.00000
473 -0.0876 0.00000
474 -0.0670 0.00000
475 -0.1061 0.00000
476 -0.0405 0.00000
477 -0.0475 0.00000
478 0.0041 0.00000
479 -0.0241 0.00000
480 -0.0991 0.00000
481 -0.0618 0.00000
482 -0.2277 0.00000
483 -0.0225 0.00000
484 -0.0383 0.00000
485 -0.0924 0.00000
486 -0.0044 0.00000
487 -0.0303 0.00000
488 -0.0567 0.00000
489 -0.1075 0.00000
490 -0.0002 0.00000
491 -0.0476 0.00000
492 -0.0248 0.00000
493 -0.0407 0.00000
494 -0.1032 0.00000
495 -0.0187 0.00000
496 -0.0113 0.00000
497 -0.0797 0.00000
498 -0.0660 0.00000
499 0.0332 0.00000
500 -0.0493 0.00000
501 -0.0060 0.00000
502 -0.0193 0.00000
503 -0.0386 0.00000
504 -0.0234 0.00000
505 -0.0262 0.00000
506 -0.0244 0.00000
507 -0.0203 0.00000
508 -0.0218 0.00000
509 0.0045 0.00000
510 -0.0352 0.00000
511 -0.0329 0.00000
512 -0.0415 0.00000
513 0.0148 0.00000
514 0.0048 0.00000
515 -0.0563 0.00000
516 -0.0816 0.00000
517 -0.0347 0.00000
518 -0.0344 0.00000
519 -0.0438 0.00000
520 -0.0638 0.00000
521 -0.0451 0.00000
522 0.0466 0.00000
523 -0.0585 0.00000
524 -0.0201 0.00000
525 -0.0242 0.00000
526 0.0381 0.00000
527 -0.0482 0.00000
528 -0.0075 0.00000
529 -0.0793 0.00000
530 -0.0241 0.00000
531 -0.0625 0.00000
532 -0.0377 0.00000
533 -0.0520 0.00000
534 -0.0814 0.00000
535 -0.0048 0.00000
536 -0.0289 0.00000
537 -0.0393 0.00000
538 0.0348 0.00000
539 -0.0378 0.00000
540 -0.1264 0.00000
541 -0.0111 0.00000
542 -0.0241 0.00000
543 0.0207 0.00000
544 -0.0141 0.00000
545 -0.0632 0.00000
546 0.0322 0.00000
547 -0.0245 0.00000
548 -0.0403 0.00000
549 -0.0472 0.00000
550 -0.0337 0.00000
551 0.0001 0.00000
552 -0.0629 0.00000
553 -0.0174 0.00000
554 -0.0027 0.00000
555 -0.0033 0.00000
556 -0.0315 0.00000
557 0.0219 0.00000
558 -0.0907 0.00000
559 -0.0070 0.00000
560 -0.0343 0.00000
561 -0.0222 0.00000
562 0.0079 0.00000
563 0.0005 0.00000
564 0.0072 0.00000
565 -0.0432 0.00000
566 -0.0312 0.00000
567 -0.0411 0.00000
568 -0.0149 0.00000
569 0.0098 0.00000
570 0.0009 0.00000
571 0.0098 0.00000
572 -0.0063 0.00000
573 -0.0389 0.00000
574 -0.0178 0.00000
575 0.0571 0.00000
576 -0.0163 0.00000
577 0.1336 0.00000
578 0.1260 0.00000
579 0.0563 0.00000
580 -0.0212 0.00000
581 0.1740 0.00000
582 -0.0503 0.00000
583 0.1698 0.00000
584 0.1302 0.00000
585 -0.0114 0.00000
586 -0.0083 0.00000
587 0.0209 0.00000
588 -0.0362 0.00000
589 0.0620 0.00000
590 -0.0310 0.00000
591 -0.0126 0.00000
592 -0.0139 0.00000
593 -0.0055 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0259 0.00000
597 0.0205 0.00000
598 0.0892 0.00000
599 0.0020 0.00000
600 -0.0564 0.00000
601 0.0270 0.00000
602 -0.0342 0.00000
603 -0.0536 0.00000
604 -0.0487 0.00000
605 -0.0565 0.00000
606 -0.0004 0.00000
607 0.0511 0.00000
608 0.1522 0.00000
609 -0.0487 0.00000
610 -0.0208 0.00000
611 -0.2318 0.00000
612 -0.0317 0.00000
613 -0.0180 0.00000
614 -0.0242 0.00000
615 0.0411 0.00000
616 -0.0033 0.00000
617 -0.0465 0.00000
618 -0.1670 0.00000
619 0.0344 0.00000
620 -0.0899 0.00000
621 0.0104 0.00000
622 -0.0861 0.00000
623 -0.0299 0.00000
624 -0.0540 0.00000
625 0.0580 0.00000
626 -0.0129 0.00000
627 -0.0392 0.00000
628 -0.0308 0.00000
629 0.0412 0.00000
630 -0.0915 0.00000
631 -0.0215 0.00000
632 0.0002 0.00000
633 -0.0149 0.00000
634 -0.0421 0.00000
635 0.0308 0.00000
636 -0.0244 0.00000
637 0.0002 0.00000
638 -0.0327 0.00000
639 0.0225 0.00000
640 -0.0989 0.00000
641 0.0022 0.00000
642 -0.0080 0.00000
643 0.0413 0.00000
644 -0.0592 0.00000
645 0.0370 0.00000
646 0.0215 0.00000
647 -0.0185 0.00000
648 -0.0160 0.00000
649 -0.0356 0.00000
650 0.0087 0.00000
651 -0.0440 0.00000
652 -0.0021 0.00000
653 0.0070 0.00000
654 -0.0395 0.00000
655 -0.0407 0.00000
656 0.0054 0.00000
657 -0.0272 0.00000
658 -0.0566 0.00000
659 -0.0375 0.00000
660 -0.0334 0.00000
661 0.0288 0.00000
662 0.0220 0.00000
663 -0.0090 0.00000
664 -0.0224 0.00000
665 -0.0513 0.00000
666 -0.0234 0.00000
667 -0.0134 0.00000
668 -0.0376 0.00000
669 -0.1157 0.00000
670 -0.0647 0.00000
671 -0.0466 0.00000
672 0.0060 0.00000
673 -0.0168 0.00000
674 -0.0004 0.00000
675 -0.0307 0.00000
676 -0.0217 0.00000
677 -0.0095 0.00000
678 -0.0861 0.00000
679 -0.0481 0.00000
680 -0.0342 0.00000
681 0.0036 0.00000
682 -0.0295 0.00000
683 0.0115 0.00000
684 -0.0330 0.00000
685 -0.0001 0.00000
686 -0.0706 0.00000
687 -0.0018 0.00000
688 0.0280 0.00000
689 -0.0025 0.00000
690 -0.0026 0.00000
691 -0.0215 0.00000
692 -0.0414 0.00000
693 0.0190 0.00000
694 0.0029 0.00000
695 -0.0281 0.00000
696 -0.0227 0.00000
697 -0.0693 0.00000
698 -0.0074 0.00000
699 -0.0443 0.00000
700 -0.0392 0.00000
701 0.0013 0.00000
702 -0.0174 0.00000
703 -0.0263 0.00000
704 -0.0089 0.00000
705 0.0047 0.00000
706 -0.0182 0.00000
707 0.0158 0.00000
708 0.0257 0.00000
709 -0.0060 0.00000
710 -0.0587 0.00000
711 0.0082 0.00000
712 0.0025 0.00000
713 -0.0229 0.00000
714 -0.0374 0.00000
715 -0.0180 0.00000
716 -0.0510 0.00000
717 -0.0110 0.00000
718 0.0322 0.00000
719 -0.0459 0.00000
720 -0.0196 0.00000
721 0.0123 0.00000
722 -0.0068 0.00000
723 0.0213 0.00000
724 0.0494 0.00000
725 -0.0244 0.00000
726 0.0155 0.00000
727 -0.0196 0.00000
728 -0.0136 0.00000
729 0.0356 0.00000
730 0.0438 0.00000
731 -0.0076 0.00000
732 0.0006 0.00000
733 -0.0453 0.00000
734 -0.0263 0.00000
735 -0.1131 0.00000
736 -0.0329 0.00000
737 0.0154 0.00000
738 0.0220 0.00000
739 0.0058 0.00000
740 -0.0032 0.00000
741 -0.0429 0.00000
742 -0.0113 0.00000
743 -0.0641 0.00000
744 0.0045 0.00000
745 0.0105 0.00000
746 -0.0411 0.00000
747 -0.0555 0.00000
748 -0.0222 0.00000
749 -0.0252 0.00000
750 0.0067 0.00000
751 -0.0003 0.00000
752 -0.0306 0.00000
753 -0.0219 0.00000
754 -0.0889 0.00000
755 0.0503 0.00000
756 -0.0327 0.00000
757 -0.0027 0.00000
758 0.0089 0.00000
759 0.0021 0.00000
760 0.0463 0.00000
761 -0.0237 0.00000
762 0.0342 0.00000
763 0.0115 0.00000
764 0.0572 0.00000
765 0.0420 0.00000
766 -0.0159 0.00000
767 0.1319 0.00000
768 -0.0098 0.00000
769 0.0305 0.00000
770 -0.0191 0.00000
771 0.0808 0.00000
772 0.0211 0.00000
773 0.0033 0.00000
774 0.0061 0.00000
775 -0.0007 0.00000
776 0.0259 0.00000
777 0.0591 0.00000
778 -0.0176 0.00000
779 0.0118 0.00000
780 0.0154 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0073 0.00000
2 0.0001 0.00000
3 -0.0483 0.00000
4 -0.1053 0.00000
5 -0.1339 0.00000
6 -0.0833 0.00000
7 0.0299 0.00000
8 -0.0206 0.00000
9 -0.1767 0.00000
10 -0.0224 0.00000
11 -0.0570 0.00000
12 0.1541 0.00000
13 -0.0104 0.00000
14 0.0877 0.00000
15 -0.2137 0.00000
16 0.0400 0.00000
17 -0.0734 0.00000
18 0.0258 0.00000
19 0.0413 0.00000
20 -0.0178 0.00000
21 -0.0969 0.00000
22 -0.1362 0.00000
23 -0.0365 0.00000
24 0.0133 0.00000
25 -0.2505 0.00000
26 -0.0951 0.00000
27 -0.1013 0.00000
28 -0.3634 0.00000
29 -0.0469 0.00000
30 -0.0752 0.00000
31 -0.1223 0.00000
32 -0.3652 0.00000
33 -0.0366 0.00000
34 -0.0550 0.00000
35 -0.0035 0.00000
36 -0.0688 0.00000
37 -0.2439 0.00000
38 -0.0093 0.00000
39 -0.0777 0.00000
40 -0.0589 0.00000
41 -0.0915 0.00000
42 -0.0798 0.00000
43 -0.0807 0.00000
44 -0.1408 0.00000
45 -0.1437 0.00000
46 -0.1720 0.00000
47 -0.0547 0.00000
48 -0.0339 0.00000
49 -0.0291 0.00000
50 -0.1172 0.00000
51 -0.1676 0.00000
52 0.0492 0.00000
53 -0.0168 0.00000
54 0.0710 0.00000
55 -0.0812 0.00000
56 -0.1352 0.00000
57 -0.0728 0.00000
58 -0.1402 0.00000
59 -0.0577 0.00000
60 -0.2301 0.00000
61 -0.1295 0.00000
62 -0.0974 0.00000
63 -0.1974 0.00000
64 -0.0438 0.00000
65 -0.1059 0.00000
66 -0.0696 0.00000
67 -0.0514 0.00000
68 -0.1535 0.00000
69 0.0561 0.00000
70 0.0701 0.00000
71 -0.0909 0.00000
72 -0.0259 0.00000
73 0.0112 0.00000
74 0.0571 0.00000
75 -0.0210 0.00000
76 0.0641 0.00000
77 0.0237 0.00000
78 -0.0752 0.00000
79 -0.0258 0.00000
80 -0.0126 0.00000
81 -0.1191 0.00000
82 0.0845 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0278 0.00000
90 -0.0256 0.00000
91 0.0292 0.00000
92 0.0488 0.00000
93 -0.0397 0.00000
94 -0.0497 0.00000
95 -0.0401 0.00000
96 -0.0150 0.00000
97 -0.0710 0.00000
98 0.1973 0.00000
99 0.1913 0.00000
100 0.8247 0.00000
101 0.1625 0.00000
102 -0.0613 0.00000
103 -0.0052 0.00000
104 0.3071 0.00000
105 -0.0423 0.00000
106 -0.0301 0.00000
107 0.0418 0.00000
108 0.0192 0.00000
109 -0.0431 0.00000
110 0.0400 0.00000
111 -0.0158 0.00000
112 0.0906 0.00000
113 0.0137 0.00000
114 0.0479 0.00000
115 0.3175 0.00000
116 -0.0189 0.00000
117 0.1926 0.00000
118 -0.0000 0.00000
119 0.0044 0.00000
120 -0.0118 0.00000
121 -0.0547 0.00000
122 0.2191 0.00000
123 -0.0072 0.00000
124 -0.0150 0.00000
125 0.0989 0.00000
126 0.4456 0.00000
127 -0.0121 0.00000
128 -0.0042 0.00000
129 0.0051 0.00000
130 0.0456 0.00000
131 0.0951 0.00000
132 -0.0029 0.00000
133 -0.0333 0.00000
134 0.1393 0.00000
135 -0.0251 0.00000
136 -0.0006 0.00000
137 -0.0647 0.00000
138 -0.0706 0.00000
139 0.0081 0.00000
140 -0.0135 0.00000
141 0.0182 0.00000
142 -0.0356 0.00000
143 -0.0135 0.00000
144 -0.0220 0.00000
145 -0.0346 0.00000
146 -0.0315 0.00000
147 -0.0193 0.00000
148 -0.0396 0.00000
149 -0.1105 0.00000
150 -0.0424 0.00000
151 -0.0552 0.00000
152 0.0514 0.00000
153 -0.0682 0.00000
154 -0.0578 0.00000
155 -0.0446 0.00000
156 -0.0755 0.00000
157 -0.0544 0.00000
158 -0.0994 0.00000
159 -0.0782 0.00000
160 0.0244 0.00000
161 -0.0321 0.00000
162 -0.0434 0.00000
163 -0.1853 0.00000
164 -0.1135 0.00000
165 -0.2157 0.00000
166 -0.0397 0.00000
167 -0.1720 0.00000
168 -0.0715 0.00000
169 0.0166 0.00000
170 -0.0522 0.00000
171 -0.0282 0.00000
172 -0.1435 0.00000
173 -0.0914 0.00000
174 -0.0752 0.00000
175 -0.0130 0.00000
176 -0.1662 0.00000
177 -0.0670 0.00000
178 -0.0813 0.00000
179 -0.0759 0.00000
180 0.0011 0.00000
181 -0.0753 0.00000
182 -0.0505 0.00000
183 -0.0459 0.00000
184 -0.0802 0.00000
185 -0.0813 0.00000
186 -0.0315 0.00000
187 0.0154 0.00000
188 -0.1581 0.00000
189 -0.0684 0.00000
190 -0.1312 0.00000
191 -0.0322 0.00000
192 -0.0172 0.00000
193 -0.0653 0.00000
194 -0.0644 0.00000
195 -0.0486 0.00000
196 -0.0761 0.00000
197 -0.0577 0.00000
198 -0.0720 0.00000
199 -0.0905 0.00000
200 -0.0304 0.00000
201 -0.0788 0.00000
202 -0.0551 0.00000
203 -0.0130 0.00000
204 -0.0845 0.00000
205 -0.0642 0.00000
206 -0.0309 0.00000
207 -0.0348 0.00000
208 -0.0093 0.00000
209 -0.0649 0.00000
210 -0.0846 0.00000
211 0.0454 0.00000
212 -0.0557 0.00000
213 -0.0390 0.00000
214 -0.0223 0.00000
215 0.0716 0.00000
216 -0.0897 0.00000
217 -0.0547 0.00000
218 0.0009 0.00000
219 -0.2240 0.00000
220 -0.0978 0.00000
221 -0.2921 0.00000
222 0.0158 0.00000
223 -0.1126 0.00000
224 -0.0166 0.00000
225 -0.0594 0.00000
226 -0.0488 0.00000
227 -0.0087 0.00000
228 -0.0041 0.00000
229 -0.0542 0.00000
230 0.1572 0.00000
231 0.0403 0.00000
232 -0.0164 0.00000
233 -0.0206 0.00000
234 -0.0681 0.00000
235 0.0096 0.00000
236 -0.0031 0.00000
237 0.0280 0.00000
238 0.0176 0.00000
239 0.0116 0.00000
240 0.0409 0.00000
241 -0.0085 0.00000
242 0.0424 0.00000
243 0.0752 0.00000
244 -0.0013 0.00000
245 -0.0221 0.00000
246 -0.0577 0.00000
247 -0.0264 0.00000
248 -0.1190 0.00000
249 -0.0410 0.00000
250 -0.1058 0.00000
251 -0.0434 0.00000
252 -0.0418 0.00000
253 -0.0035 0.00000
254 0.0155 0.00000
255 -0.0265 0.00000
256 -0.0180 0.00000
257 0.0344 0.00000
258 -0.0023 0.00000
259 0.0010 0.00000
260 0.0132 0.00000
261 -0.0169 0.00000
262 0.0684 0.00000
263 0.0737 0.00000
264 0.0966 0.00000
265 0.0133 0.00000
266 0.0080 0.00000
267 0.0050 0.00000
268 -0.0463 0.00000
269 0.0250 0.00000
270 0.1153 0.00000
271 0.0279 0.00000
272 0.0253 0.00000
273 0.0298 0.00000
274 0.2055 0.00000
275 -0.0672 0.00000
276 -0.0128 0.00000
277 0.0353 0.00000
278 -0.0070 0.00000
279 -0.0468 0.00000
280 0.0406 0.00000
281 -0.0013 0.00000
282 0.0203 0.00000
283 0.0418 0.00000
284 0.0552 0.00000
285 0.1033 0.00000
286 -0.0461 0.00000
287 -0.0262 0.00000
288 0.0606 0.00000
289 -0.0825 0.00000
290 0.0673 0.00000
291 0.1213 0.00000
292 0.0787 0.00000
293 0.0314 0.00000
294 0.0210 0.00000
295 -0.0229 0.00000
296 0.1142 0.00000
297 0.0262 0.00000
298 0.1307 0.00000
299 0.0105 0.00000
300 -0.0346 0.00000
301 0.0863 0.00000
302 0.0007 0.00000
303 0.1642 0.00000
304 0.0865 0.00000
305 0.1778 0.00000
306 -0.0119 0.00000
307 0.0113 0.00000
308 0.0262 0.00000
309 -0.0274 0.00000
310 0.1826 0.00000
311 0.2081 0.00000
312 0.1258 0.00000
313 0.1819 0.00000
314 0.0673 0.00000
315 0.0072 0.00000
316 0.3356 0.00000
317 0.0315 0.00000
318 0.1677 0.00000
319 0.0752 0.00000
320 -0.0173 0.00000
321 -0.0074 0.00000
322 0.0468 0.00000
323 0.0032 0.00000
324 0.0480 0.00000
325 -0.0242 0.00000
326 0.0222 0.00000
327 0.0871 0.00000
328 0.2192 0.00000
329 -0.0355 0.00000
330 -0.0357 0.00000
331 -0.0397 0.00000
332 -0.0271 0.00000
333 -0.0224 0.00000
334 0.0831 0.00000
335 -0.0330 0.00000
336 -0.0523 0.00000
337 -0.0123 0.00000
338 0.4191 0.00000
339 0.1559 0.00000
340 0.0125 0.00000
341 0.0127 0.00000
342 0.0154 0.00000
343 0.0371 0.00000
344 -0.0573 0.00000
345 0.0289 0.00000
346 0.0362 0.00000
347 0.0292 0.00000
348 0.0071 0.00000
349 -0.0633 0.00000
350 -0.0398 0.00000
351 -0.0250 0.00000
352 -0.0297 0.00000
353 -0.0201 0.00000
354 -0.0375 0.00000
355 0.1380 0.00000
356 0.0383 0.00000
357 -0.0890 0.00000
358 -0.0232 0.00000
359 0.0071 0.00000
360 -0.0291 0.00000
361 0.0194 0.00000
362 0.0384 0.00000
363 -0.0648 0.00000
364 -0.0553 0.00000
365 -0.0160 0.00000
366 -0.0424 0.00000
367 0.0137 0.00000
368 -0.0119 0.00000
369 -0.0104 0.00000
370 -0.0250 0.00000
371 -0.0098 0.00000
372 -0.1327 0.00000
373 -0.0204 0.00000
374 -0.0014 0.00000
375 -0.0447 0.00000
376 -0.0845 0.00000
377 -0.0064 0.00000
378 -0.0413 0.00000
379 -0.0017 0.00000
380 -0.0173 0.00000
381 -0.0551 0.00000
382 -0.0888 0.00000
383 -0.0548 0.00000
384 -0.0274 0.00000
385 -0.0340 0.00000
386 -0.0400 0.00000
387 -0.0145 0.00000
388 -0.1246 0.00000
389 0.0001 0.00000
390 -0.0331 0.00000
391 0.0037 0.00000
392 -0.1320 0.00000
393 -0.0761 0.00000
394 -0.1063 0.00000
395 -0.0632 0.00000
396 -0.0167 0.00000
397 -0.0500 0.00000
398 -0.0102 0.00000
399 -0.0454 0.00000
400 -0.0445 0.00000
401 -0.0528 0.00000
402 -0.1086 0.00000
403 -0.0247 0.00000
404 -0.0002 0.00000
405 -0.0677 0.00000
406 -0.0490 0.00000
407 -0.0392 0.00000
408 -0.0306 0.00000
409 -0.0790 0.00000
410 -0.0922 0.00000
411 -0.0493 0.00000
412 -0.0693 0.00000
413 -0.0539 0.00000
414 -0.0042 0.00000
415 -0.0596 0.00000
416 -0.0992 0.00000
417 0.0060 0.00000
418 -0.0242 0.00000
419 -0.0002 0.00000
420 -0.0191 0.00000
421 -0.0298 0.00000
422 0.0049 0.00000
423 -0.0392 0.00000
424 -0.0965 0.00000
425 -0.0384 0.00000
426 -0.0160 0.00000
427 -0.0065 0.00000
428 -0.0207 0.00000
429 -0.0556 0.00000
430 -0.0410 0.00000
431 -0.0339 0.00000
432 0.0156 0.00000
433 -0.0477 0.00000
434 0.0064 0.00000
435 -0.0451 0.00000
436 -0.0019 0.00000
437 -0.0137 0.00000
438 -0.0495 0.00000
439 -0.0466 0.00000
440 -0.0016 0.00000
441 -0.0140 0.00000
442 -0.0794 0.00000
443 -0.0110 0.00000
444 -0.0292 0.00000
445 -0.0838 0.00000
446 -0.0213 0.00000
447 -0.0305 0.00000
448 -0.0193 0.00000
449 -0.0624 0.00000
450 -0.0729 0.00000
451 -0.0511 0.00000
452 -0.0406 0.00000
453 -0.1006 0.00000
454 -0.0303 0.00000
455 -0.0143 0.00000
456 -0.0009 0.00000
457 -0.0388 0.00000
458 -0.0429 0.00000
459 -0.0646 0.00000
460 -0.0945 0.00000
461 -0.0195 0.00000
462 -0.1458 0.00000
463 -0.0316 0.00000
464 -0.0450 0.00000
465 -0.0353 0.00000
466 -0.0137 0.00000
467 -0.0465 0.00000
468 0.0079 0.00000
469 -0.0251 0.00000
470 -0.0843 0.00000
471 -0.0496 0.00000
472 -0.0296 0.00000
473 -0.0365 0.00000
474 -0.0897 0.00000
475 -0.1053 0.00000
476 -0.0187 0.00000
477 -0.0462 0.00000
478 -0.1466 0.00000
479 -0.1160 0.00000
480 -0.0006 0.00000
481 -0.0136 0.00000
482 -0.2636 0.00000
483 -0.0430 0.00000
484 -0.0169 0.00000
485 -0.0349 0.00000
486 -0.0576 0.00000
487 -0.0770 0.00000
488 -0.0951 0.00000
489 -0.0058 0.00000
490 -0.0600 0.00000
491 -0.0090 0.00000
492 -0.0247 0.00000
493 -0.0067 0.00000
494 -0.0360 0.00000
495 -0.0509 0.00000
496 -0.0145 0.00000
497 -0.0450 0.00000
498 -0.0415 0.00000
499 -0.0173 0.00000
500 -0.1054 0.00000
501 -0.0040 0.00000
502 -0.0392 0.00000
503 -0.0431 0.00000
504 -0.0346 0.00000
505 0.0068 0.00000
506 -0.0400 0.00000
507 0.0260 0.00000
508 -0.0782 0.00000
509 -0.0305 0.00000
510 -0.0749 0.00000
511 -0.0080 0.00000
512 -0.0057 0.00000
513 -0.0544 0.00000
514 -0.0480 0.00000
515 0.0245 0.00000
516 -0.0257 0.00000
517 0.0033 0.00000
518 -0.0327 0.00000
519 0.0309 0.00000
520 -0.1318 0.00000
521 -0.0225 0.00000
522 -0.0319 0.00000
523 -0.0009 0.00000
524 0.0016 0.00000
525 0.0066 0.00000
526 -0.0208 0.00000
527 -0.0152 0.00000
528 0.0861 0.00000
529 -0.0769 0.00000
530 -0.0734 0.00000
531 -0.0360 0.00000
532 -0.0099 0.00000
533 -0.0470 0.00000
534 -0.1451 0.00000
535 -0.0501 0.00000
536 -0.1150 0.00000
537 -0.0393 0.00000
538 -0.0437 0.00000
539 -0.0058 0.00000
540 -0.0219 0.00000
541 0.0091 0.00000
542 -0.0250 0.00000
543 -0.0130 0.00000
544 -0.0611 0.00000
545 -0.0631 0.00000
546 0.1217 0.00000
547 -0.0458 0.00000
548 -0.0698 0.00000
549 -0.0248 0.00000
550 -0.0043 0.00000
551 -0.0668 0.00000
552 -0.0238 0.00000
553 -0.0163 0.00000
554 -0.0329 0.00000
555 0.0259 0.00000
556 -0.0623 0.00000
557 -0.0012 0.00000
558 -0.0285 0.00000
559 -0.0434 0.00000
560 0.0132 0.00000
561 0.0063 0.00000
562 -0.0144 0.00000
563 0.0134 0.00000
564 -0.0425 0.00000
565 -0.0553 0.00000
566 -0.0928 0.00000
567 0.0194 0.00000
568 -0.0182 0.00000
569 0.0310 0.00000
570 0.0027 0.00000
571 -0.0383 0.00000
572 0.0165 0.00000
573 -0.0277 0.00000
574 0.0746 0.00000
575 0.0234 0.00000
576 0.0872 0.00000
577 0.0271 0.00000
578 0.0318 0.00000
579 0.0661 0.00000
580 0.0542 0.00000
581 -0.0337 0.00000
582 0.2290 0.00000
583 0.0012 0.00000
584 0.2035 0.00000
585 -0.0383 0.00000
586 0.0015 0.00000
587 0.0244 0.00000
588 -0.0343 0.00000
589 0.0614 0.00000
590 -0.0306 0.00000
591 -0.0147 0.00000
592 -0.0129 0.00000
593 -0.0053 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0258 0.00000
597 0.0205 0.00000
598 0.0885 0.00000
599 0.0257 0.00000
600 -0.0804 0.00000
601 0.0077 0.00000
602 -0.0510 0.00000
603 -0.0726 0.00000
604 -0.0332 0.00000
605 -0.0076 0.00000
606 0.1295 0.00000
607 -0.0012 0.00000
608 0.0106 0.00000
609 0.0080 0.00000
610 -0.0491 0.00000
611 -0.0182 0.00000
612 -0.0295 0.00000
613 -0.0446 0.00000
614 -0.0128 0.00000
615 -0.1997 0.00000
616 -0.1820 0.00000
617 -0.0087 0.00000
618 0.0080 0.00000
619 -0.0773 0.00000
620 -0.0213 0.00000
621 0.0080 0.00000
622 -0.0007 0.00000
623 -0.0414 0.00000
624 0.0063 0.00000
625 -0.2127 0.00000
626 -0.0335 0.00000
627 0.0268 0.00000
628 0.0587 0.00000
629 0.0225 0.00000
630 0.0713 0.00000
631 -0.0137 0.00000
632 0.0120 0.00000
633 -0.0771 0.00000
634 -0.0032 0.00000
635 -0.0109 0.00000
636 0.0203 0.00000
637 -0.0055 0.00000
638 -0.0496 0.00000
639 -0.0229 0.00000
640 0.0306 0.00000
641 -0.1125 0.00000
642 0.0433 0.00000
643 -0.0276 0.00000
644 -0.0271 0.00000
645 0.0154 0.00000
646 0.0083 0.00000
647 -0.0256 0.00000
648 -0.0166 0.00000
649 0.0556 0.00000
650 0.0109 0.00000
651 -0.0157 0.00000
652 -0.0330 0.00000
653 -0.1408 0.00000
654 -0.0103 0.00000
655 -0.0065 0.00000
656 -0.0223 0.00000
657 -0.0421 0.00000
658 -0.0214 0.00000
659 0.0009 0.00000
660 -0.0397 0.00000
661 -0.0121 0.00000
662 -0.0245 0.00000
663 -0.0140 0.00000
664 0.0321 0.00000
665 -0.0091 0.00000
666 -0.0217 0.00000
667 -0.0852 0.00000
668 -0.0493 0.00000
669 -0.0026 0.00000
670 -0.0466 0.00000
671 -0.1368 0.00000
672 -0.0334 0.00000
673 0.0006 0.00000
674 -0.0178 0.00000
675 0.0247 0.00000
676 0.0376 0.00000
677 -0.0370 0.00000
678 0.0135 0.00000
679 -0.0098 0.00000
680 -0.0659 0.00000
681 -0.0032 0.00000
682 -0.0985 0.00000
683 0.0545 0.00000
684 -0.0176 0.00000
685 -0.0297 0.00000
686 0.0117 0.00000
687 -0.0652 0.00000
688 -0.0142 0.00000
689 -0.0104 0.00000
690 0.0053 0.00000
691 -0.0419 0.00000
692 0.0559 0.00000
693 -0.0387 0.00000
694 -0.0105 0.00000
695 -0.0380 0.00000
696 0.0234 0.00000
697 -0.0057 0.00000
698 0.0138 0.00000
699 -0.0750 0.00000
700 -0.0584 0.00000
701 -0.0072 0.00000
702 -0.0034 0.00000
703 -0.0198 0.00000
704 -0.0225 0.00000
705 -0.0562 0.00000
706 -0.0057 0.00000
707 -0.0011 0.00000
708 0.0020 0.00000
709 -0.0007 0.00000
710 -0.0348 0.00000
711 -0.0150 0.00000
712 -0.0496 0.00000
713 -0.0389 0.00000
714 -0.0236 0.00000
715 0.0040 0.00000
716 -0.0444 0.00000
717 -0.0234 0.00000
718 -0.0154 0.00000
719 -0.1037 0.00000
720 -0.0250 0.00000
721 -0.0053 0.00000
722 0.0164 0.00000
723 -0.0367 0.00000
724 -0.1382 0.00000
725 -0.0166 0.00000
726 0.0255 0.00000
727 -0.0153 0.00000
728 -0.0133 0.00000
729 0.0053 0.00000
730 -0.0108 0.00000
731 0.0198 0.00000
732 0.0312 0.00000
733 -0.0367 0.00000
734 -0.0055 0.00000
735 0.0053 0.00000
736 0.0450 0.00000
737 0.0267 0.00000
738 0.0070 0.00000
739 -0.0166 0.00000
740 -0.0042 0.00000
741 -0.0294 0.00000
742 0.0020 0.00000
743 -0.0079 0.00000
744 -0.0003 0.00000
745 -0.0054 0.00000
746 -0.0048 0.00000
747 0.0007 0.00000
748 -0.0190 0.00000
749 -0.0395 0.00000
750 -0.0204 0.00000
751 -0.0325 0.00000
752 -0.0117 0.00000
753 -0.0172 0.00000
754 -0.0005 0.00000
755 0.0005 0.00000
756 0.0741 0.00000
757 0.0161 0.00000
758 0.0226 0.00000
759 0.0279 0.00000
760 0.0488 0.00000
761 0.0254 0.00000
762 0.0098 0.00000
763 -0.0292 0.00000
764 -0.0191 0.00000
765 0.0034 0.00000
766 0.0243 0.00000
767 -0.0010 0.00000
768 0.0471 0.00000
769 0.0281 0.00000
770 0.0171 0.00000
771 0.0406 0.00000
772 -0.0540 0.00000
773 -0.0614 0.00000
774 0.0236 0.00000
775 0.2185 0.00000
776 0.0542 0.00000
777 -0.0118 0.00000
778 0.0192 0.00000
779 0.0324 0.00000
780 -0.0052 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0073 0.00000
2 0.0001 0.00000
3 -0.0483 0.00000
4 -0.1052 0.00000
5 -0.1340 0.00000
6 -0.0844 0.00000
7 0.0314 0.00000
8 -0.0202 0.00000
9 -0.1783 0.00000
10 -0.0197 0.00000
11 -0.0573 0.00000
12 0.1524 0.00000
13 -0.0112 0.00000
14 0.0886 0.00000
15 -0.2122 0.00000
16 0.0578 0.00000
17 -0.0165 0.00000
18 -0.0518 0.00000
19 0.0386 0.00000
20 -0.0108 0.00000
21 -0.0970 0.00000
22 -0.1223 0.00000
23 -0.0560 0.00000
24 -0.0255 0.00000
25 -0.2511 0.00000
26 -0.1138 0.00000
27 -0.0817 0.00000
28 -0.2008 0.00000
29 -0.0558 0.00000
30 -0.1014 0.00000
31 -0.2644 0.00000
32 -0.3151 0.00000
33 -0.0330 0.00000
34 -0.0692 0.00000
35 0.0054 0.00000
36 -0.1170 0.00000
37 -0.1206 0.00000
38 -0.0291 0.00000
39 -0.1163 0.00000
40 -0.0588 0.00000
41 -0.0741 0.00000
42 -0.1232 0.00000
43 -0.0806 0.00000
44 -0.1479 0.00000
45 -0.1341 0.00000
46 -0.0423 0.00000
47 -0.1574 0.00000
48 -0.1188 0.00000
49 -0.0748 0.00000
50 -0.0281 0.00000
51 0.0290 0.00000
52 -0.1186 0.00000
53 -0.0225 0.00000
54 -0.0871 0.00000
55 0.0771 0.00000
56 -0.1158 0.00000
57 -0.0734 0.00000
58 -0.1483 0.00000
59 -0.1837 0.00000
60 -0.0754 0.00000
61 -0.0795 0.00000
62 -0.3299 0.00000
63 -0.0050 0.00000
64 -0.0167 0.00000
65 -0.0941 0.00000
66 -0.0847 0.00000
67 -0.1816 0.00000
68 -0.0624 0.00000
69 -0.0039 0.00000
70 0.0940 0.00000
71 -0.0849 0.00000
72 -0.0259 0.00000
73 0.0290 0.00000
74 0.0395 0.00000
75 -0.0172 0.00000
76 0.0621 0.00000
77 0.0285 0.00000
78 -0.0318 0.00000
79 -0.0736 0.00000
80 -0.0125 0.00000
81 -0.1190 0.00000
82 0.0841 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0256 0.00000
90 -0.0187 0.00000
91 -0.0135 0.00000
92 0.0803 0.00000
93 -0.0419 0.00000
94 -0.0508 0.00000
95 -0.0295 0.00000
96 0.0032 0.00000
97 -0.0603 0.00000
98 0.4731 0.00000
99 0.2863 0.00000
100 -0.0594 0.00000
101 0.6372 0.00000
102 -0.0554 0.00000
103 0.2415 0.00000
104 0.0142 0.00000
105 -0.0187 0.00000
106 -0.0222 0.00000
107 -0.0418 0.00000
108 0.1250 0.00000
109 0.0049 0.00000
110 -0.0630 0.00000
111 -0.0125 0.00000
112 0.0808 0.00000
113 0.1083 0.00000
114 0.3552 0.00000
115 -0.0660 0.00000
116 -0.0128 0.00000
117 0.1899 0.00000
118 0.0007 0.00000
119 -0.0192 0.00000
120 0.0050 0.00000
121 0.1061 0.00000
122 0.1131 0.00000
123 -0.0441 0.00000
124 0.0291 0.00000
125 0.0864 0.00000
126 0.3661 0.00000
127 -0.0346 0.00000
128 0.0921 0.00000
129 0.0218 0.00000
130 0.0686 0.00000
131 0.1250 0.00000
132 -0.0513 0.00000
133 -0.0249 0.00000
134 0.1081 0.00000
135 -0.0278 0.00000
136 -0.0177 0.00000
137 -0.0514 0.00000
138 -0.0560 0.00000
139 0.0051 0.00000
140 -0.0156 0.00000
141 0.0148 0.00000
142 -0.0363 0.00000
143 -0.0117 0.00000
144 -0.0241 0.00000
145 -0.0335 0.00000
146 -0.0321 0.00000
147 -0.0190 0.00000
148 -0.0223 0.00000
149 -0.1314 0.00000
150 -0.0375 0.00000
151 -0.0201 0.00000
152 -0.0633 0.00000
153 0.0101 0.00000
154 -0.0431 0.00000
155 0.0011 0.00000
156 -0.1370 0.00000
157 0.0095 0.00000
158 -0.0804 0.00000
159 -0.0754 0.00000
160 -0.0850 0.00000
161 -0.0427 0.00000
162 0.0045 0.00000
163 -0.1839 0.00000
164 -0.2630 0.00000
165 -0.1519 0.00000
166 -0.0501 0.00000
167 -0.1056 0.00000
168 0.0370 0.00000
169 -0.0816 0.00000
170 -0.0790 0.00000
171 -0.0277 0.00000
172 -0.0394 0.00000
173 -0.1028 0.00000
174 -0.0770 0.00000
175 -0.0403 0.00000
176 -0.1443 0.00000
177 -0.0690 0.00000
178 -0.1161 0.00000
179 -0.0604 0.00000
180 -0.0584 0.00000
181 -0.1165 0.00000
182 -0.1120 0.00000
183 0.0456 0.00000
184 -0.0461 0.00000
185 -0.0418 0.00000
186 -0.0206 0.00000
187 -0.0739 0.00000
188 -0.1897 0.00000
189 -0.0067 0.00000
190 -0.0619 0.00000
191 -0.0238 0.00000
192 -0.0576 0.00000
193 -0.0875 0.00000
194 -0.0882 0.00000
195 -0.0521 0.00000
196 -0.0727 0.00000
197 -0.0672 0.00000
198 -0.0792 0.00000
199 -0.0953 0.00000
200 -0.0253 0.00000
201 -0.0170 0.00000
202 -0.0242 0.00000
203 -0.0258 0.00000
204 -0.1155 0.00000
205 -0.0365 0.00000
206 -0.0773 0.00000
207 -0.0465 0.00000
208 -0.0366 0.00000
209 -0.0418 0.00000
210 0.0164 0.00000
211 -0.0810 0.00000
212 -0.0404 0.00000
213 0.0190 0.00000
214 -0.0073 0.00000
215 0.0417 0.00000
216 -0.1286 0.00000
217 -0.0575 0.00000
218 -0.0686 0.00000
219 -0.1540 0.00000
220 0.0316 0.00000
221 -0.4190 0.00000
222 0.0221 0.00000
223 -0.1020 0.00000
224 -0.0066 0.00000
225 -0.0658 0.00000
226 -0.0426 0.00000
227 0.0000 0.00000
228 0.0112 0.00000
229 -0.0463 0.00000
230 0.1279 0.00000
231 0.0411 0.00000
232 -0.0162 0.00000
233 -0.0208 0.00000
234 -0.0679 0.00000
235 0.0193 0.00000
236 0.0020 0.00000
237 -0.0059 0.00000
238 0.0571 0.00000
239 0.0325 0.00000
240 -0.0008 0.00000
241 -0.0110 0.00000
242 -0.0563 0.00000
243 0.0921 0.00000
244 0.0010 0.00000
245 0.0328 0.00000
246 0.0447 0.00000
247 -0.0824 0.00000
248 -0.2677 0.00000
249 0.0314 0.00000
250 -0.0222 0.00000
251 -0.0403 0.00000
252 -0.0534 0.00000
253 -0.0047 0.00000
254 0.0281 0.00000
255 0.0054 0.00000
256 -0.0189 0.00000
257 -0.0011 0.00000
258 -0.0282 0.00000
259 -0.0156 0.00000
260 0.0067 0.00000
261 0.0712 0.00000
262 0.0302 0.00000
263 0.0118 0.00000
264 -0.0064 0.00000
265 0.0192 0.00000
266 0.0662 0.00000
267 0.0100 0.00000
268 0.0097 0.00000
269 0.0193 0.00000
270 0.1170 0.00000
271 0.0140 0.00000
272 0.1733 0.00000
273 0.0135 0.00000
274 0.1339 0.00000
275 0.0553 0.00000
276 0.0756 0.00000
277 -0.0581 0.00000
278 -0.0406 0.00000
279 0.0049 0.00000
280 -0.0072 0.00000
281 -0.0392 0.00000
282 0.0685 0.00000
283 -0.0009 0.00000
284 0.0119 0.00000
285 0.0280 0.00000
286 0.0105 0.00000
287 -0.0006 0.00000
288 0.0770 0.00000
289 0.0495 0.00000
290 0.0109 0.00000
291 -0.0142 0.00000
292 -0.0407 0.00000
293 0.0288 0.00000
294 0.0065 0.00000
295 0.0294 0.00000
296 0.0132 0.00000
297 0.0653 0.00000
298 -0.0327 0.00000
299 0.1761 0.00000
300 0.0468 0.00000
301 0.1888 0.00000
302 0.2475 0.00000
303 0.1240 0.00000
304 -0.0540 0.00000
305 -0.0059 0.00000
306 0.2068 0.00000
307 0.0746 0.00000
308 -0.0354 0.00000
309 0.0003 0.00000
310 0.0234 0.00000
311 -0.0030 0.00000
312 0.3834 0.00000
313 0.1080 0.00000
314 -0.0145 0.00000
315 0.2650 0.00000
316 0.0561 0.00000
317 -0.0030 0.00000
318 -0.0447 0.00000
319 0.0443 0.00000
320 0.0945 0.00000
321 0.0895 0.00000
322 -0.0130 0.00000
323 0.0047 0.00000
324 0.0319 0.00000
325 0.0863 0.00000
326 0.0735 0.00000
327 0.1117 0.00000
328 0.1194 0.00000
329 0.0781 0.00000
330 0.0967 0.00000
331 0.0143 0.00000
332 -0.0268 0.00000
333 0.0282 0.00000
334 0.0055 0.00000
335 0.2383 0.00000
336 -0.0234 0.00000
337 0.0305 0.00000
338 -0.0352 0.00000
339 0.0890 0.00000
340 0.1564 0.00000
341 0.0420 0.00000
342 0.0065 0.00000
343 -0.0029 0.00000
344 0.0286 0.00000
345 0.0162 0.00000
346 -0.0109 0.00000
347 0.0170 0.00000
348 -0.0244 0.00000
349 -0.0274 0.00000
350 0.0067 0.00000
351 -0.0276 0.00000
352 -0.0615 0.00000
353 -0.0613 0.00000
354 -0.0038 0.00000
355 0.0345 0.00000
356 -0.0130 0.00000
357 -0.0338 0.00000
358 0.0770 0.00000
359 0.0102 0.00000
360 -0.0216 0.00000
361 0.0043 0.00000
362 0.0812 0.00000
363 -0.0690 0.00000
364 -0.0485 0.00000
365 -0.0811 0.00000
366 0.0062 0.00000
367 -0.0667 0.00000
368 -0.0444 0.00000
369 -0.0550 0.00000
370 -0.0019 0.00000
371 -0.0071 0.00000
372 -0.1243 0.00000
373 -0.0340 0.00000
374 -0.0103 0.00000
375 -0.0298 0.00000
376 -0.0504 0.00000
377 -0.0320 0.00000
378 -0.0605 0.00000
379 -0.0178 0.00000
380 -0.0442 0.00000
381 -0.0202 0.00000
382 -0.0515 0.00000
383 -0.0066 0.00000
384 -0.0863 0.00000
385 0.0064 0.00000
386 -0.1673 0.00000
387 -0.0797 0.00000
388 -0.0411 0.00000
389 -0.0106 0.00000
390 -0.0445 0.00000
391 -0.0244 0.00000
392 -0.0484 0.00000
393 -0.0106 0.00000
394 -0.0416 0.00000
395 -0.0319 0.00000
396 -0.0479 0.00000
397 -0.1573 0.00000
398 -0.0216 0.00000
399 -0.0461 0.00000
400 0.0111 0.00000
401 -0.0651 0.00000
402 -0.0345 0.00000
403 -0.0657 0.00000
404 -0.0110 0.00000
405 -0.0839 0.00000
406 -0.0381 0.00000
407 -0.0252 0.00000
408 -0.1240 0.00000
409 -0.0199 0.00000
410 -0.0807 0.00000
411 -0.0356 0.00000
412 -0.0349 0.00000
413 -0.0312 0.00000
414 -0.0055 0.00000
415 -0.0235 0.00000
416 -0.0414 0.00000
417 -0.0430 0.00000
418 -0.0208 0.00000
419 -0.0172 0.00000
420 -0.0503 0.00000
421 -0.0002 0.00000
422 -0.0294 0.00000
423 -0.1012 0.00000
424 -0.0522 0.00000
425 -0.0504 0.00000
426 0.0325 0.00000
427 -0.0660 0.00000
428 -0.0439 0.00000
429 -0.0222 0.00000
430 -0.0789 0.00000
431 -0.0447 0.00000
432 -0.0150 0.00000
433 -0.0334 0.00000
434 -0.0391 0.00000
435 -0.0164 0.00000
436 -0.0297 0.00000
437 -0.0414 0.00000
438 -0.0225 0.00000
439 -0.0374 0.00000
440 -0.0556 0.00000
441 0.0377 0.00000
442 -0.0088 0.00000
443 -0.0280 0.00000
444 -0.1107 0.00000
445 -0.0471 0.00000
446 -0.0350 0.00000
447 -0.0797 0.00000
448 -0.0445 0.00000
449 -0.0374 0.00000
450 -0.0623 0.00000
451 -0.0244 0.00000
452 -0.0292 0.00000
453 -0.0850 0.00000
454 -0.0377 0.00000
455 -0.0355 0.00000
456 -0.0341 0.00000
457 0.0132 0.00000
458 -0.0751 0.00000
459 -0.0210 0.00000
460 -0.0482 0.00000
461 -0.0171 0.00000
462 -0.0272 0.00000
463 -0.0057 0.00000
464 -0.0617 0.00000
465 -0.0125 0.00000
466 -0.0594 0.00000
467 -0.0258 0.00000
468 -0.1235 0.00000
469 -0.0213 0.00000
470 -0.0221 0.00000
471 -0.0986 0.00000
472 -0.0993 0.00000
473 -0.0210 0.00000
474 -0.1384 0.00000
475 -0.0377 0.00000
476 -0.0562 0.00000
477 -0.0061 0.00000
478 -0.0559 0.00000
479 -0.0463 0.00000
480 0.0016 0.00000
481 -0.0972 0.00000
482 -0.0443 0.00000
483 -0.0506 0.00000
484 -0.0685 0.00000
485 -0.0790 0.00000
486 -0.1538 0.00000
487 -0.0156 0.00000
488 -0.1272 0.00000
489 -0.0588 0.00000
490 -0.0909 0.00000
491 -0.0057 0.00000
492 -0.0489 0.00000
493 -0.0739 0.00000
494 -0.0151 0.00000
495 -0.0221 0.00000
496 -0.0662 0.00000
497 -0.0385 0.00000
498 -0.0272 0.00000
499 0.0353 0.00000
500 -0.0839 0.00000
501 -0.0156 0.00000
502 -0.0308 0.00000
503 0.0106 0.00000
504 -0.0327 0.00000
505 -0.0371 0.00000
506 -0.0740 0.00000
507 -0.0232 0.00000
508 -0.0274 0.00000
509 0.0237 0.00000
510 -0.0091 0.00000
511 -0.0355 0.00000
512 -0.0297 0.00000
513 -0.1017 0.00000
514 -0.0412 0.00000
515 -0.0279 0.00000
516 -0.0598 0.00000
517 -0.0415 0.00000
518 -0.0540 0.00000
519 0.0468 0.00000
520 -0.0457 0.00000
521 0.1146 0.00000
522 -0.0486 0.00000
523 0.0155 0.00000
524 -0.0575 0.00000
525 -0.0446 0.00000
526 0.0061 0.00000
527 -0.0318 0.00000
528 -0.0276 0.00000
529 -0.0748 0.00000
530 -0.0064 0.00000
531 -0.0605 0.00000
532 0.0452 0.00000
533 -0.0113 0.00000
534 -0.2482 0.00000
535 -0.0313 0.00000
536 -0.0848 0.00000
537 -0.0189 0.00000
538 -0.0437 0.00000
539 -0.0398 0.00000
540 0.0290 0.00000
541 -0.0653 0.00000
542 -0.0344 0.00000
543 -0.0198 0.00000
544 -0.0581 0.00000
545 -0.0249 0.00000
546 -0.0057 0.00000
547 0.1462 0.00000
548 -0.0749 0.00000
549 -0.0516 0.00000
550 -0.0027 0.00000
551 0.0121 0.00000
552 -0.0589 0.00000
553 -0.0075 0.00000
554 0.0003 0.00000
555 -0.0104 0.00000
556 -0.0292 0.00000
557 -0.0702 0.00000
558 -0.0134 0.00000
559 0.0135 0.00000
560 -0.0922 0.00000
561 0.0082 0.00000
562 -0.0544 0.00000
563 -0.0201 0.00000
564 -0.0111 0.00000
565 -0.0293 0.00000
566 -0.0719 0.00000
567 -0.0162 0.00000
568 0.0085 0.00000
569 0.0217 0.00000
570 -0.0309 0.00000
571 0.0222 0.00000
572 -0.0113 0.00000
573 0.0301 0.00000
574 0.0491 0.00000
575 0.0945 0.00000
576 0.0118 0.00000
577 -0.0250 0.00000
578 -0.0159 0.00000
579 0.1040 0.00000
580 0.1773 0.00000
581 0.0995 0.00000
582 0.0105 0.00000
583 0.1573 0.00000
584 0.0836 0.00000
585 -0.0283 0.00000
586 -0.0178 0.00000
587 0.0179 0.00000
588 -0.0249 0.00000
589 0.0617 0.00000
590 -0.0349 0.00000
591 -0.0071 0.00000
592 -0.0159 0.00000
593 -0.0048 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0257 0.00000
597 0.0201 0.00000
598 0.0928 0.00000
599 0.0636 0.00000
600 -0.0757 0.00000
601 -0.0057 0.00000
602 -0.0634 0.00000
603 -0.0065 0.00000
604 0.0054 0.00000
605 0.0424 0.00000
606 -0.0909 0.00000
607 0.0701 0.00000
608 -0.0730 0.00000
609 -0.0403 0.00000
610 -0.0472 0.00000
611 0.0093 0.00000
612 -0.1185 0.00000
613 -0.2111 0.00000
614 -0.0341 0.00000
615 0.0419 0.00000
616 -0.0841 0.00000
617 -0.0225 0.00000
618 -0.0855 0.00000
619 -0.0081 0.00000
620 -0.0403 0.00000
621 0.0065 0.00000
622 -0.0309 0.00000
623 0.0091 0.00000
624 0.0103 0.00000
625 0.0341 0.00000
626 0.0068 0.00000
627 -0.0331 0.00000
628 0.0240 0.00000
629 -0.0068 0.00000
630 -0.0667 0.00000
631 -0.0392 0.00000
632 0.0576 0.00000
633 0.0117 0.00000
634 -0.0291 0.00000
635 -0.0059 0.00000
636 -0.0048 0.00000
637 -0.0707 0.00000
638 0.0000 0.00000
639 0.0066 0.00000
640 0.0031 0.00000
641 -0.0313 0.00000
642 -0.0501 0.00000
643 0.0232 0.00000
644 -0.0075 0.00000
645 -0.0442 0.00000
646 -0.0297 0.00000
647 0.0063 0.00000
648 -0.0592 0.00000
649 -0.0605 0.00000
650 0.0047 0.00000
651 0.0032 0.00000
652 -0.0362 0.00000
653 -0.0356 0.00000
654 -0.0342 0.00000
655 -0.0135 0.00000
656 -0.0491 0.00000
657 0.0314 0.00000
658 -0.0298 0.00000
659 -0.0532 0.00000
660 -0.0624 0.00000
661 -0.0051 0.00000
662 -0.0263 0.00000
663 -0.0108 0.00000
664 -0.0195 0.00000
665 -0.0259 0.00000
666 0.0400 0.00000
667 0.0031 0.00000
668 -0.0762 0.00000
669 -0.0644 0.00000
670 0.0099 0.00000
671 -0.0442 0.00000
672 0.0238 0.00000
673 0.0060 0.00000
674 -0.0210 0.00000
675 -0.0512 0.00000
676 0.0003 0.00000
677 -0.0075 0.00000
678 -0.0185 0.00000
679 -0.0280 0.00000
680 -0.0316 0.00000
681 -0.0181 0.00000
682 -0.0009 0.00000
683 -0.0388 0.00000
684 0.0239 0.00000
685 -0.0010 0.00000
686 -0.0270 0.00000
687 -0.0289 0.00000
688 -0.0369 0.00000
689 -0.0108 0.00000
690 0.0024 0.00000
691 -0.0368 0.00000
692 -0.0109 0.00000
693 -0.0239 0.00000
694 -0.0160 0.00000
695 -0.0319 0.00000
696 -0.1146 0.00000
697 -0.0317 0.00000
698 -0.0178 0.00000
699 -0.0198 0.00000
700 -0.0059 0.00000
701 0.0370 0.00000
702 -0.0216 0.00000
703 0.0182 0.00000
704 -0.0592 0.00000
705 -0.0225 0.00000
706 0.0172 0.00000
707 -0.0015 0.00000
708 0.0778 0.00000
709 -0.1199 0.00000
710 -0.0406 0.00000
711 -0.0039 0.00000
712 0.0159 0.00000
713 0.0146 0.00000
714 0.0146 0.00000
715 -0.0047 0.00000
716 0.0581 0.00000
717 0.0039 0.00000
718 -0.0229 0.00000
719 -0.0067 0.00000
720 -0.0045 0.00000
721 -0.0181 0.00000
722 -0.0735 0.00000
723 0.0096 0.00000
724 -0.0271 0.00000
725 0.0231 0.00000
726 -0.0839 0.00000
727 -0.0115 0.00000
728 0.0047 0.00000
729 0.0503 0.00000
730 -0.0514 0.00000
731 0.0013 0.00000
732 -0.0245 0.00000
733 -0.0321 0.00000
734 -0.0099 0.00000
735 0.0042 0.00000
736 -0.0363 0.00000
737 -0.0085 0.00000
738 -0.1036 0.00000
739 -0.0470 0.00000
740 -0.0148 0.00000
741 -0.0040 0.00000
742 -0.0237 0.00000
743 -0.0167 0.00000
744 -0.0100 0.00000
745 0.0076 0.00000
746 -0.0495 0.00000
747 -0.0153 0.00000
748 -0.0110 0.00000
749 -0.0363 0.00000
750 0.0881 0.00000
751 -0.0372 0.00000
752 -0.0300 0.00000
753 -0.1240 0.00000
754 0.0129 0.00000
755 0.0057 0.00000
756 -0.0262 0.00000
757 -0.0010 0.00000
758 0.0124 0.00000
759 -0.0159 0.00000
760 0.0140 0.00000
761 -0.0003 0.00000
762 0.0114 0.00000
763 -0.0377 0.00000
764 0.0360 0.00000
765 -0.0115 0.00000
766 0.0305 0.00000
767 -0.0126 0.00000
768 0.0044 0.00000
769 -0.0040 0.00000
770 0.0440 0.00000
771 0.0471 0.00000
772 0.0051 0.00000
773 -0.0183 0.00000
774 0.0299 0.00000
775 0.0579 0.00000
776 -0.0012 0.00000
777 0.0350 0.00000
778 0.0124 0.00000
779 0.0240 0.00000
780 0.0212 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0073 0.00000
2 0.0001 0.00000
3 -0.0483 0.00000
4 -0.1057 0.00000
5 -0.1333 0.00000
6 -0.0846 0.00000
7 0.0308 0.00000
8 -0.0206 0.00000
9 -0.1770 0.00000
10 -0.0222 0.00000
11 -0.0570 0.00000
12 0.1543 0.00000
13 -0.0111 0.00000
14 0.0884 0.00000
15 -0.2136 0.00000
16 0.0513 0.00000
17 -0.0376 0.00000
18 -0.0248 0.00000
19 0.0584 0.00000
20 -0.0290 0.00000
21 -0.0969 0.00000
22 -0.1279 0.00000
23 -0.0407 0.00000
24 0.0148 0.00000
25 -0.2892 0.00000
26 -0.1161 0.00000
27 -0.0928 0.00000
28 -0.3075 0.00000
29 -0.0450 0.00000
30 -0.0826 0.00000
31 -0.1570 0.00000
32 -0.3552 0.00000
33 -0.0264 0.00000
34 -0.0590 0.00000
35 0.0019 0.00000
36 -0.1294 0.00000
37 -0.1016 0.00000
38 -0.0333 0.00000
39 -0.1281 0.00000
40 -0.0588 0.00000
41 -0.1005 0.00000
42 -0.1055 0.00000
43 -0.0806 0.00000
44 -0.1457 0.00000
45 -0.1107 0.00000
46 -0.0471 0.00000
47 -0.1471 0.00000
48 -0.0922 0.00000
49 -0.1091 0.00000
50 -0.0377 0.00000
51 0.0474 0.00000
52 -0.1496 0.00000
53 -0.0153 0.00000
54 0.0993 0.00000
55 -0.0985 0.00000
56 -0.1103 0.00000
57 -0.0727 0.00000
58 -0.1437 0.00000
59 -0.1362 0.00000
60 -0.1016 0.00000
61 -0.2632 0.00000
62 -0.1174 0.00000
63 -0.0748 0.00000
64 -0.0772 0.00000
65 -0.1081 0.00000
66 -0.0679 0.00000
67 -0.1585 0.00000
68 -0.0514 0.00000
69 0.0575 0.00000
70 0.0680 0.00000
71 -0.0888 0.00000
72 -0.0258 0.00000
73 0.0114 0.00000
74 0.0571 0.00000
75 -0.0209 0.00000
76 0.0639 0.00000
77 0.0249 0.00000
78 -0.0770 0.00000
79 -0.0252 0.00000
80 -0.0125 0.00000
81 -0.1191 0.00000
82 0.0845 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0278 0.00000
90 -0.0254 0.00000
91 0.0286 0.00000
92 0.0498 0.00000
93 -0.0400 0.00000
94 -0.0491 0.00000
95 -0.0395 0.00000
96 -0.0236 0.00000
97 -0.0606 0.00000
98 0.3625 0.00000
99 0.1575 0.00000
100 0.5238 0.00000
101 0.3230 0.00000
102 -0.0453 0.00000
103 0.2944 0.00000
104 -0.0116 0.00000
105 -0.0487 0.00000
106 -0.0308 0.00000
107 0.0550 0.00000
108 -0.0231 0.00000
109 0.0118 0.00000
110 0.0201 0.00000
111 -0.0213 0.00000
112 0.0890 0.00000
113 0.0197 0.00000
114 0.0996 0.00000
115 0.3018 0.00000
116 -0.0263 0.00000
117 0.1752 0.00000
118 -0.0013 0.00000
119 -0.0100 0.00000
120 -0.0046 0.00000
121 -0.0554 0.00000
122 0.2334 0.00000
123 -0.0403 0.00000
124 0.0303 0.00000
125 0.0825 0.00000
126 0.4064 0.00000
127 -0.0381 0.00000
128 0.0988 0.00000
129 0.0050 0.00000
130 0.0108 0.00000
131 0.0844 0.00000
132 0.0063 0.00000
133 -0.0306 0.00000
134 0.1337 0.00000
135 -0.0249 0.00000
136 0.0006 0.00000
137 -0.0646 0.00000
138 -0.0716 0.00000
139 0.0096 0.00000
140 -0.0138 0.00000
141 0.0168 0.00000
142 -0.0358 0.00000
143 -0.0118 0.00000
144 -0.0240 0.00000
145 -0.0339 0.00000
146 -0.0315 0.00000
147 -0.0193 0.00000
148 -0.0328 0.00000
149 -0.1203 0.00000
150 -0.0385 0.00000
151 -0.0754 0.00000
152 0.1115 0.00000
153 -0.0682 0.00000
154 -0.1019 0.00000
155 -0.0248 0.00000
156 -0.1314 0.00000
157 -0.0449 0.00000
158 -0.0641 0.00000
159 -0.0161 0.00000
160 -0.0287 0.00000
161 -0.0570 0.00000
162 -0.0684 0.00000
163 -0.1514 0.00000
164 -0.1010 0.00000
165 -0.0438 0.00000
166 -0.0800 0.00000
167 -0.2730 0.00000
168 -0.0671 0.00000
169 -0.0027 0.00000
170 0.0042 0.00000
171 -0.0513 0.00000
172 -0.2032 0.00000
173 -0.0521 0.00000
174 -0.1033 0.00000
175 -0.1508 0.00000
176 -0.0443 0.00000
177 -0.1052 0.00000
178 -0.0544 0.00000
179 -0.0215 0.00000
180 -0.0261 0.00000
181 -0.0614 0.00000
182 -0.1111 0.00000
183 -0.0464 0.00000
184 -0.0288 0.00000
185 -0.0811 0.00000
186 -0.0527 0.00000
187 -0.0103 0.00000
188 -0.1513 0.00000
189 -0.1015 0.00000
190 -0.0164 0.00000
191 -0.0527 0.00000
192 -0.0627 0.00000
193 -0.0403 0.00000
194 -0.0547 0.00000
195 -0.0641 0.00000
196 -0.0863 0.00000
197 -0.0831 0.00000
198 -0.0888 0.00000
199 -0.0873 0.00000
200 -0.0377 0.00000
201 -0.0317 0.00000
202 -0.0098 0.00000
203 -0.0752 0.00000
204 -0.0576 0.00000
205 -0.0425 0.00000
206 -0.0248 0.00000
207 -0.0915 0.00000
208 -0.0269 0.00000
209 -0.0122 0.00000
210 -0.0885 0.00000
211 0.0076 0.00000
212 -0.0388 0.00000
213 0.0176 0.00000
214 -0.0591 0.00000
215 0.0431 0.00000
216 -0.0770 0.00000
217 -0.0658 0.00000
218 -0.1044 0.00000
219 0.0107 0.00000
220 -0.0215 0.00000
221 -0.4179 0.00000
222 -0.0713 0.00000
223 -0.0979 0.00000
224 0.0065 0.00000
225 -0.0723 0.00000
226 -0.0527 0.00000
227 -0.0083 0.00000
228 -0.0042 0.00000
229 -0.0526 0.00000
230 0.1566 0.00000
231 0.0405 0.00000
232 -0.0138 0.00000
233 -0.0236 0.00000
234 -0.0686 0.00000
235 0.0145 0.00000
236 0.0041 0.00000
237 0.0037 0.00000
238 0.0251 0.00000
239 0.0113 0.00000
240 0.0417 0.00000
241 0.0029 0.00000
242 0.0806 0.00000
243 -0.0540 0.00000
244 0.0654 0.00000
245 -0.0165 0.00000
246 -0.0334 0.00000
247 -0.0148 0.00000
248 -0.1597 0.00000
249 -0.0241 0.00000
250 -0.1025 0.00000
251 -0.0585 0.00000
252 -0.0331 0.00000
253 -0.0235 0.00000
254 0.0264 0.00000
255 0.0460 0.00000
256 -0.0062 0.00000
257 -0.0123 0.00000
258 -0.0330 0.00000
259 0.0179 0.00000
260 -0.0037 0.00000
261 0.0411 0.00000
262 -0.0006 0.00000
263 0.0642 0.00000
264 0.0333 0.00000
265 0.0854 0.00000
266 0.0285 0.00000
267 0.0301 0.00000
268 -0.0607 0.00000
269 0.0275 0.00000
270 0.0009 0.00000
271 0.0875 0.00000
272 0.1498 0.00000
273 0.0219 0.00000
274 0.1392 0.00000
275 -0.0465 0.00000
276 0.0227 0.00000
277 -0.0689 0.00000
278 -0.0616 0.00000
279 0.0664 0.00000
280 0.0098 0.00000
281 0.0347 0.00000
282 -0.0096 0.00000
283 0.0415 0.00000
284 0.0902 0.00000
285 -0.0174 0.00000
286 0.0182 0.00000
287 0.0706 0.00000
288 -0.0486 0.00000
289 0.0083 0.00000
290 0.1439 0.00000
291 0.0304 0.00000
292 -0.0031 0.00000
293 0.0683 0.00000
294 -0.0063 0.00000
295 0.0309 0.00000
296 -0.0192 0.00000
297 0.0409 0.00000
298 0.1848 0.00000
299 0.0400 0.00000
300 0.0234 0.00000
301 0.0069 0.00000
302 0.0384 0.00000
303 0.3883 0.00000
304 0.0390 0.00000
305 -0.0463 0.00000
306 0.0513 0.00000
307 0.0140 0.00000
308 0.0630 0.00000
309 0.0104 0.00000
310 0.2380 0.00000
311 0.0160 0.00000
312 0.0678 0.00000
313 0.0417 0.00000
314 0.1624 0.00000
315 0.0892 0.00000
316 0.2555 0.00000
317 0.2053 0.00000
318 0.0515 0.00000
319 0.1685 0.00000
320 -0.0474 0.00000
321 0.0287 0.00000
322 -0.0375 0.00000
323 0.1292 0.00000
324 -0.0070 0.00000
325 0.0380 0.00000
326 0.0132 0.00000
327 0.0148 0.00000
328 0.0304 0.00000
329 0.0089 0.00000
330 0.1548 0.00000
331 0.0390 0.00000
332 -0.0375 0.00000
333 -0.0139 0.00000
334 -0.0757 0.00000
335 -0.0376 0.00000
336 0.2213 0.00000
337 0.0703 0.00000
338 0.2531 0.00000
339 -0.0432 0.00000
340 0.0393 0.00000
341 0.0432 0.00000
342 0.0196 0.00000
343 0.0066 0.00000
344 -0.0152 0.00000
345 0.0276 0.00000
346 0.0183 0.00000
347 0.0175 0.00000
348 0.0110 0.00000
349 0.0028 0.00000
350 -0.0276 0.00000
351 -0.0322 0.00000
352 0.0133 0.00000
353 -0.0527 0.00000
354 -0.0374 0.00000
355 -0.0197 0.00000
356 -0.0546 0.00000
357 0.0097 0.00000
358 0.1134 0.00000
359 0.0108 0.00000
360 -0.0530 0.00000
361 0.0614 0.00000
362 -0.0192 0.00000
363 -0.0837 0.00000
364 -0.0296 0.00000
365 -0.0420 0.00000
366 -0.0226 0.00000
367 0.0018 0.00000
368 0.0117 0.00000
369 -0.0635 0.00000
370 -0.0113 0.00000
371 -0.0263 0.00000
372 -0.0378 0.00000
373 -0.0042 0.00000
374 -0.0057 0.00000
375 -0.0774 0.00000
376 -0.0661 0.00000
377 -0.0741 0.00000
378 -0.0625 0.00000
379 -0.0310 0.00000
380 -0.0354 0.00000
381 -0.0384 0.00000
382 -0.0336 0.00000
383 -0.0685 0.00000
384 -0.0400 0.00000
385 -0.0455 0.00000
386 -0.0311 0.00000
387 0.0169 0.00000
388 -0.0490 0.00000
389 -0.0115 0.00000
390 -0.1560 0.00000
391 -0.0603 0.00000
392 -0.0380 0.00000
393 -0.0794 0.00000
394 -0.1172 0.00000
395 -0.0142 0.00000
396 -0.0081 0.00000
397 -0.0391 0.00000
398 -0.0206 0.00000
399 -0.0562 0.00000
400 -0.0252 0.00000
401 -0.0585 0.00000
402 -0.0936 0.00000
403 0.0029 0.00000
404 -0.0562 0.00000
405 -0.0695 0.00000
406 0.0015 0.00000
407 -0.0144 0.00000
408 -0.1353 0.00000
409 -0.0630 0.00000
410 -0.0655 0.00000
411 -0.0644 0.00000
412 -0.0119 0.00000
413 -0.0573 0.00000
414 -0.0399 0.00000
415 -0.0355 0.00000
416 -0.1194 0.00000
417 -0.0365 0.00000
418 -0.0208 0.00000
419 -0.0004 0.00000
420 -0.0382 0.00000
421 -0.0446 0.00000
422 -0.0763 0.00000
423 -0.0025 0.00000
424 -0.0287 0.00000
425 -0.0063 0.00000
426 -0.0488 0.00000
427 -0.0132 0.00000
428 -0.0300 0.00000
429 -0.0449 0.00000
430 0.0060 0.00000
431 -0.0026 0.00000
432 -0.0109 0.00000
433 -0.0057 0.00000
434 -0.0385 0.00000
435 -0.0009 0.00000
436 -0.0206 0.00000
437 -0.0614 0.00000
438 -0.0181 0.00000
439 -0.0435 0.00000
440 -0.0130 0.00000
441 -0.0097 0.00000
442 -0.0706 0.00000
443 -0.0434 0.00000
444 -0.0319 0.00000
445 -0.0392 0.00000
446 -0.0754 0.00000
447 -0.0724 0.00000
448 0.0353 0.00000
449 -0.0710 0.00000
450 -0.0874 0.00000
451 -0.0617 0.00000
452 -0.0076 0.00000
453 -0.0680 0.00000
454 0.0013 0.00000
455 0.0046 0.00000
456 -0.0575 0.00000
457 -0.0707 0.00000
458 -0.0697 0.00000
459 -0.0550 0.00000
460 -0.1060 0.00000
461 -0.0130 0.00000
462 -0.0543 0.00000
463 -0.0683 0.00000
464 -0.0493 0.00000
465 -0.0054 0.00000
466 -0.0334 0.00000
467 -0.0186 0.00000
468 -0.0507 0.00000
469 -0.0832 0.00000
470 -0.0143 0.00000
471 -0.0429 0.00000
472 -0.0537 0.00000
473 -0.0709 0.00000
474 -0.0358 0.00000
475 0.0313 0.00000
476 -0.2024 0.00000
477 -0.0647 0.00000
478 -0.0228 0.00000
479 -0.0345 0.00000
480 -0.1020 0.00000
481 -0.1309 0.00000
482 -0.0765 0.00000
483 -0.0808 0.00000
484 -0.0345 0.00000
485 -0.0473 0.00000
486 -0.1095 0.00000
487 -0.0734 0.00000
488 -0.0805 0.00000
489 -0.0502 0.00000
490 -0.0360 0.00000
491 -0.0451 0.00000
492 -0.0297 0.00000
493 -0.0325 0.00000
494 -0.0247 0.00000
495 -0.0457 0.00000
496 -0.0815 0.00000
497 -0.0362 0.00000
498 0.0072 0.00000
499 -0.0437 0.00000
500 -0.0256 0.00000
501 -0.0194 0.00000
502 -0.0575 0.00000
503 -0.0335 0.00000
504 -0.0329 0.00000
505 -0.0158 0.00000
506 -0.0338 0.00000
507 0.0277 0.00000
508 0.0278 0.00000
509 0.0085 0.00000
510 -0.1419 0.00000
511 -0.0231 0.00000
512 -0.0055 0.00000
513 -0.0317 0.00000
514 -0.0413 0.00000
515 -0.0345 0.00000
516 0.0443 0.00000
517 -0.0414 0.00000
518 -0.0761 0.00000
519 -0.1135 0.00000
520 -0.0129 0.00000
521 0.0875 0.00000
522 -0.0271 0.00000
523 -0.0337 0.00000
524 0.0288 0.00000
525 -0.0430 0.00000
526 -0.0714 0.00000
527 -0.0062 0.00000
528 0.0215 0.00000
529 -0.0125 0.00000
530 -0.0695 0.00000
531 -0.0600 0.00000
532 -0.0232 0.00000
533 -0.0229 0.00000
534 -0.0703 0.00000
535 -0.0097 0.00000
536 -0.1053 0.00000
537 -0.0588 0.00000
538 -0.0240 0.00000
539 -0.0761 0.00000
540 -0.0081 0.00000
541 -0.0280 0.00000
542 0.0175 0.00000
543 -0.0174 0.00000
544 -0.0404 0.00000
545 -0.0266 0.00000
546 -0.0537 0.00000
547 0.0168 0.00000
548 -0.0418 0.00000
549 -0.0371 0.00000
550 0.0078 0.00000
551 -0.0132 0.00000
552 -0.0699 0.00000
553 -0.0128 0.00000
554 -0.0043 0.00000
555 0.0009 0.00000
556 -0.0595 0.00000
557 -0.0349 0.00000
558 -0.0166 0.00000
559 -0.0010 0.00000
560 0.0006 0.00000
561 -0.0619 0.00000
562 -0.0016 0.00000
563 0.0326 0.00000
564 -0.0145 0.00000
565 -0.0660 0.00000
566 -0.0708 0.00000
567 -0.0042 0.00000
568 0.0037 0.00000
569 -0.0053 0.00000
570 0.0085 0.00000
571 0.0117 0.00000
572 0.0240 0.00000
573 -0.0353 0.00000
574 0.0246 0.00000
575 -0.0292 0.00000
576 0.0753 0.00000
577 0.0737 0.00000
578 0.0907 0.00000
579 -0.0310 0.00000
580 -0.0153 0.00000
581 -0.0341 0.00000
582 0.4903 0.00000
583 -0.0140 0.00000
584 0.0861 0.00000
585 -0.0162 0.00000
586 -0.0109 0.00000
587 0.0280 0.00000
588 -0.0401 0.00000
589 0.0619 0.00000
590 -0.0304 0.00000
591 -0.0149 0.00000
592 -0.0129 0.00000
593 -0.0054 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0259 0.00000
597 0.0205 0.00000
598 0.0931 0.00000
599 0.0143 0.00000
600 -0.0818 0.00000
601 -0.0170 0.00000
602 -0.0150 0.00000
603 -0.0686 0.00000
604 -0.0363 0.00000
605 -0.0192 0.00000
606 -0.0016 0.00000
607 0.0504 0.00000
608 0.1519 0.00000
609 -0.0134 0.00000
610 -0.0026 0.00000
611 -0.0605 0.00000
612 -0.0312 0.00000
613 -0.0023 0.00000
614 -0.2687 0.00000
615 -0.0845 0.00000
616 -0.0006 0.00000
617 -0.0329 0.00000
618 -0.0689 0.00000
619 -0.1037 0.00000
620 -0.0787 0.00000
621 0.0036 0.00000
622 -0.0019 0.00000
623 0.0281 0.00000
624 -0.1193 0.00000
625 0.0144 0.00000
626 0.0005 0.00000
627 0.0115 0.00000
628 0.0654 0.00000
629 -0.0081 0.00000
630 0.0273 0.00000
631 -0.1065 0.00000
632 -0.0317 0.00000
633 -0.0105 0.00000
634 0.0347 0.00000
635 -0.0026 0.00000
636 0.0074 0.00000
637 -0.0026 0.00000
638 -0.0088 0.00000
639 -0.0248 0.00000
640 0.0015 0.00000
641 -0.1109 0.00000
642 0.0065 0.00000
643 -0.0323 0.00000
644 -0.0349 0.00000
645 0.0866 0.00000
646 -0.0298 0.00000
647 -0.0227 0.00000
648 0.0001 0.00000
649 -0.0176 0.00000
650 -0.0528 0.00000
651 -0.0132 0.00000
652 -0.0570 0.00000
653 -0.0154 0.00000
654 -0.0340 0.00000
655 0.0097 0.00000
656 -0.0403 0.00000
657 -0.0319 0.00000
658 0.0356 0.00000
659 0.0145 0.00000
660 -0.0636 0.00000
661 -0.0804 0.00000
662 -0.0181 0.00000
663 0.0193 0.00000
664 -0.0114 0.00000
665 -0.0290 0.00000
666 -0.0636 0.00000
667 0.0125 0.00000
668 -0.0348 0.00000
669 -0.0217 0.00000
670 0.0373 0.00000
671 -0.0135 0.00000
672 -0.0189 0.00000
673 -0.0283 0.00000
674 -0.0309 0.00000
675 0.0128 0.00000
676 -0.0386 0.00000
677 -0.0128 0.00000
678 -0.1044 0.00000
679 -0.1596 0.00000
680 -0.0237 0.00000
681 -0.0445 0.00000
682 -0.0397 0.00000
683 -0.0127 0.00000
684 0.0258 0.00000
685 -0.0231 0.00000
686 0.0059 0.00000
687 0.0037 0.00000
688 -0.0581 0.00000
689 0.0715 0.00000
690 -0.0197 0.00000
691 -0.0035 0.00000
692 -0.0319 0.00000
693 -0.0339 0.00000
694 0.0102 0.00000
695 -0.0066 0.00000
696 -0.0331 0.00000
697 -0.0303 0.00000
698 0.0547 0.00000
699 -0.0264 0.00000
700 -0.0042 0.00000
701 -0.0462 0.00000
702 0.0083 0.00000
703 0.0408 0.00000
704 -0.0185 0.00000
705 -0.0299 0.00000
706 -0.0241 0.00000
707 -0.0950 0.00000
708 -0.0145 0.00000
709 -0.0410 0.00000
710 0.0547 0.00000
711 -0.0485 0.00000
712 -0.0340 0.00000
713 -0.0277 0.00000
714 -0.0135 0.00000
715 -0.0165 0.00000
716 0.0325 0.00000
717 0.0011 0.00000
718 -0.0884 0.00000
719 -0.0152 0.00000
720 -0.0564 0.00000
721 -0.0004 0.00000
722 -0.0480 0.00000
723 0.0026 0.00000
724 -0.0074 0.00000
725 -0.0415 0.00000
726 -0.0118 0.00000
727 -0.0037 0.00000
728 -0.0356 0.00000
729 0.0363 0.00000
730 -0.0290 0.00000
731 0.0007 0.00000
732 -0.0107 0.00000
733 0.0074 0.00000
734 -0.0365 0.00000
735 -0.0524 0.00000
736 0.0139 0.00000
737 0.0574 0.00000
738 -0.0585 0.00000
739 -0.0043 0.00000
740 -0.0698 0.00000
741 0.0180 0.00000
742 -0.0260 0.00000
743 0.0019 0.00000
744 -0.0081 0.00000
745 -0.0659 0.00000
746 0.0523 0.00000
747 -0.0042 0.00000
748 0.0322 0.00000
749 0.0253 0.00000
750 -0.0174 0.00000
751 0.0021 0.00000
752 0.0096 0.00000
753 -0.0422 0.00000
754 0.0095 0.00000
755 0.0239 0.00000
756 -0.0126 0.00000
757 0.0253 0.00000
758 0.0322 0.00000
759 0.0384 0.00000
760 0.0290 0.00000
761 -0.0270 0.00000
762 0.0163 0.00000
763 0.0600 0.00000
764 -0.0559 0.00000
765 0.0789 0.00000
766 -0.0355 0.00000
767 0.0131 0.00000
768 0.0640 0.00000
769 -0.0009 0.00000
770 0.0123 0.00000
771 0.0086 0.00000
772 -0.0354 0.00000
773 0.0267 0.00000
774 -0.0681 0.00000
775 0.0779 0.00000
776 0.0721 0.00000
777 0.0457 0.00000
778 0.0378 0.00000
779 0.0399 0.00000
780 -0.0467 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0073 0.00000
2 0.0001 0.00000
3 -0.0482 0.00000
4 -0.1049 0.00000
5 -0.1346 0.00000
6 -0.0837 0.00000
7 0.0310 0.00000
8 -0.0203 0.00000
9 -0.1783 0.00000
10 -0.0223 0.00000
11 -0.0573 0.00000
12 0.1548 0.00000
13 -0.0108 0.00000
14 0.0881 0.00000
15 -0.2122 0.00000
16 0.0399 0.00000
17 -0.0741 0.00000
18 0.0279 0.00000
19 0.0651 0.00000
20 -0.0421 0.00000
21 -0.0970 0.00000
22 -0.1282 0.00000
23 -0.0478 0.00000
24 -0.0910 0.00000
25 -0.1688 0.00000
26 -0.0969 0.00000
27 -0.0914 0.00000
28 -0.2649 0.00000
29 -0.0545 0.00000
30 -0.0756 0.00000
31 -0.2270 0.00000
32 -0.3486 0.00000
33 -0.0313 0.00000
34 -0.0549 0.00000
35 -0.0033 0.00000
36 -0.0652 0.00000
37 -0.2399 0.00000
38 -0.0095 0.00000
39 -0.0668 0.00000
40 -0.0588 0.00000
41 -0.0856 0.00000
42 -0.0834 0.00000
43 -0.0805 0.00000
44 -0.1302 0.00000
45 -0.1975 0.00000
46 -0.1273 0.00000
47 -0.0746 0.00000
48 -0.0346 0.00000
49 -0.0651 0.00000
50 -0.0847 0.00000
51 0.0582 0.00000
52 -0.1752 0.00000
53 -0.0130 0.00000
54 -0.0299 0.00000
55 -0.0106 0.00000
56 -0.0938 0.00000
57 -0.0708 0.00000
58 -0.1458 0.00000
59 -0.0506 0.00000
60 -0.2566 0.00000
61 -0.1551 0.00000
62 0.0379 0.00000
63 -0.2415 0.00000
64 -0.0468 0.00000
65 -0.1011 0.00000
66 -0.0750 0.00000
67 -0.1509 0.00000
68 -0.0732 0.00000
69 -0.0031 0.00000
70 0.0959 0.00000
71 -0.0846 0.00000
72 -0.0260 0.00000
73 0.0275 0.00000
74 0.0404 0.00000
75 -0.0155 0.00000
76 0.0614 0.00000
77 0.0268 0.00000
78 -0.0299 0.00000
79 -0.0754 0.00000
80 -0.0125 0.00000
81 -0.1190 0.00000
82 0.0842 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0263 0.00000
90 -0.0240 0.00000
91 0.0337 0.00000
92 0.0445 0.00000
93 -0.0430 0.00000
94 -0.0483 0.00000
95 -0.0431 0.00000
96 0.0086 0.00000
97 -0.0726 0.00000
98 0.2479 0.00000
99 0.2046 0.00000
100 0.7672 0.00000
101 0.0971 0.00000
102 0.0194 0.00000
103 0.1757 0.00000
104 0.0229 0.00000
105 -0.0186 0.00000
106 0.0013 0.00000
107 0.0666 0.00000
108 0.0734 0.00000
109 -0.0270 0.00000
110 -0.0366 0.00000
111 -0.0432 0.00000
112 0.0698 0.00000
113 0.0442 0.00000
114 -0.0609 0.00000
115 0.4209 0.00000
116 -0.0429 0.00000
117 0.2025 0.00000
118 0.0079 0.00000
119 -0.0021 0.00000
120 0.0286 0.00000
121 0.0552 0.00000
122 0.0959 0.00000
123 -0.0217 0.00000
124 0.0229 0.00000
125 0.0758 0.00000
126 0.4302 0.00000
127 -0.0299 0.00000
128 -0.0053 0.00000
129 0.0086 0.00000
130 0.0917 0.00000
131 0.1270 0.00000
132 -0.0319 0.00000
133 -0.0344 0.00000
134 0.1205 0.00000
135 -0.0276 0.00000
136 -0.0057 0.00000
137 -0.0629 0.00000
138 -0.0594 0.00000
139 0.0058 0.00000
140 -0.0144 0.00000
141 0.0166 0.00000
142 -0.0361 0.00000
143 -0.0133 0.00000
144 -0.0220 0.00000
145 -0.0342 0.00000
146 -0.0322 0.00000
147 -0.0190 0.00000
148 -0.0257 0.00000
149 -0.1252 0.00000
150 -0.0412 0.00000
151 -0.0536 0.00000
152 0.0375 0.00000
153 -0.0823 0.00000
154 -0.0321 0.00000
155 -0.0006 0.00000
156 -0.0023 0.00000
157 -0.2178 0.00000
158 -0.0070 0.00000
159 -0.1341 0.00000
160 -0.0480 0.00000
161 0.0093 0.00000
162 -0.0253 0.00000
163 -0.0798 0.00000
164 -0.2782 0.00000
165 -0.1078 0.00000
166 -0.0910 0.00000
167 -0.0247 0.00000
168 -0.1126 0.00000
169 -0.0822 0.00000
170 -0.0275 0.00000
171 -0.0757 0.00000
172 -0.0610 0.00000
173 -0.0886 0.00000
174 -0.0940 0.00000
175 -0.1080 0.00000
176 -0.0323 0.00000
177 -0.0758 0.00000
178 -0.0888 0.00000
179 -0.1538 0.00000
180 -0.0489 0.00000
181 -0.0773 0.00000
182 0.0006 0.00000
183 -0.0497 0.00000
184 -0.0221 0.00000
185 -0.0748 0.00000
186 -0.0256 0.00000
187 -0.0020 0.00000
188 -0.1968 0.00000
189 -0.0560 0.00000
190 -0.0478 0.00000
191 -0.0555 0.00000
192 -0.0539 0.00000
193 -0.0610 0.00000
194 -0.0964 0.00000
195 -0.0487 0.00000
196 -0.0565 0.00000
197 -0.0605 0.00000
198 -0.0704 0.00000
199 -0.0849 0.00000
200 -0.0701 0.00000
201 -0.0562 0.00000
202 -0.0924 0.00000
203 0.0204 0.00000
204 -0.0522 0.00000
205 -0.0764 0.00000
206 -0.0713 0.00000
207 -0.0239 0.00000
208 -0.0409 0.00000
209 -0.0336 0.00000
210 -0.0196 0.00000
211 -0.0117 0.00000
212 0.0363 0.00000
213 -0.0491 0.00000
214 -0.0585 0.00000
215 0.0122 0.00000
216 -0.0951 0.00000
217 0.0181 0.00000
218 -0.0616 0.00000
219 -0.2986 0.00000
220 -0.2373 0.00000
221 -0.0801 0.00000
222 0.0245 0.00000
223 -0.1186 0.00000
224 -0.0182 0.00000
225 -0.0552 0.00000
226 -0.0281 0.00000
227 -0.0089 0.00000
228 0.0151 0.00000
229 -0.0526 0.00000
230 0.1337 0.00000
231 0.0398 0.00000
232 -0.0224 0.00000
233 -0.0156 0.00000
234 -0.0661 0.00000
235 0.0125 0.00000
236 -0.0050 0.00000
237 -0.0017 0.00000
238 0.0561 0.00000
239 0.0435 0.00000
240 0.0054 0.00000
241 -0.0220 0.00000
242 0.0261 0.00000
243 0.0117 0.00000
244 0.0256 0.00000
245 0.0767 0.00000
246 0.0459 0.00000
247 -0.1523 0.00000
248 -0.2349 0.00000
249 -0.0148 0.00000
250 0.0127 0.00000
251 -0.0616 0.00000
252 -0.0305 0.00000
253 -0.0026 0.00000
254 -0.0368 0.00000
255 -0.0400 0.00000
256 0.0422 0.00000
257 -0.0006 0.00000
258 -0.0018 0.00000
259 0.0125 0.00000
260 0.0142 0.00000
261 0.0222 0.00000
262 0.0417 0.00000
263 0.0126 0.00000
264 0.0344 0.00000
265 -0.0325 0.00000
266 0.0821 0.00000
267 0.0141 0.00000
268 -0.0221 0.00000
269 0.0703 0.00000
270 0.0494 0.00000
271 -0.0071 0.00000
272 0.3004 0.00000
273 0.0060 0.00000
274 0.1164 0.00000
275 -0.0113 0.00000
276 -0.0568 0.00000
277 0.0170 0.00000
278 -0.0256 0.00000
279 -0.0225 0.00000
280 -0.0331 0.00000
281 0.0373 0.00000
282 0.0375 0.00000
283 0.0350 0.00000
284 0.0680 0.00000
285 0.1317 0.00000
286 -0.0545 0.00000
287 0.0100 0.00000
288 -0.0150 0.00000
289 0.0663 0.00000
290 -0.0284 0.00000
291 0.0413 0.00000
292 -0.0316 0.00000
293 0.0065 0.00000
294 0.0161 0.00000
295 -0.0021 0.00000
296 0.0365 0.00000
297 0.0336 0.00000
298 0.1986 0.00000
299 0.1251 0.00000
300 0.0466 0.00000
301 0.0676 0.00000
302 0.0071 0.00000
303 0.0289 0.00000
304 0.4414 0.00000
305 -0.0618 0.00000
306 0.0884 0.00000
307 -0.0269 0.00000
308 -0.0047 0.00000
309 0.0332 0.00000
310 -0.0147 0.00000
311 0.3664 0.00000
312 0.0094 0.00000
313 0.0515 0.00000
314 0.0745 0.00000
315 0.2404 0.00000
316 0.0096 0.00000
317 0.0373 0.00000
318 0.0923 0.00000
319 0.1080 0.00000
320 0.1770 0.00000
321 0.0238 0.00000
322 -0.0651 0.00000
323 0.0216 0.00000
324 -0.0438 0.00000
325 0.1154 0.00000
326 -0.0487 0.00000
327 -0.0669 0.00000
328 0.0063 0.00000
329 0.5514 0.00000
330 -0.0457 0.00000
331 0.0371 0.00000
332 0.0114 0.00000
333 -0.0206 0.00000
334 0.0904 0.00000
335 -0.0245 0.00000
336 -0.0386 0.00000
337 0.4971 0.00000
338 0.0132 0.00000
339 -0.0043 0.00000
340 0.0103 0.00000
341 -0.0412 0.00000
342 -0.0410 0.00000
343 -0.0098 0.00000
344 0.0017 0.00000
345 0.1208 0.00000
346 -0.0041 0.00000
347 -0.0037 0.00000
348 -0.0270 0.00000
349 -0.0420 0.00000
350 -0.0458 0.00000
351 -0.0848 0.00000
352 -0.0031 0.00000
353 -0.0513 0.00000
354 -0.0105 0.00000
355 0.0363 0.00000
356 0.0659 0.00000
357 -0.0512 0.00000
358 -0.0197 0.00000
359 0.0798 0.00000
360 -0.0571 0.00000
361 0.0204 0.00000
362 0.0042 0.00000
363 -0.0312 0.00000
364 -0.0086 0.00000
365 -0.0334 0.00000
366 -0.0607 0.00000
367 -0.0394 0.00000
368 -0.0426 0.00000
369 -0.0465 0.00000
370 -0.0241 0.00000
371 0.0132 0.00000
372 0.0188 0.00000
373 -0.1033 0.00000
374 -0.0414 0.00000
375 -0.0754 0.00000
376 -0.0284 0.00000
377 -0.0065 0.00000
378 -0.0306 0.00000
379 -0.0381 0.00000
380 -0.0393 0.00000
381 -0.0534 0.00000
382 -0.0645 0.00000
383 -0.0586 0.00000
384 -0.0071 0.00000
385 -0.0180 0.00000
386 -0.0553 0.00000
387 -0.0431 0.00000
388 -0.0333 0.00000
389 -0.0200 0.00000
390 -0.0740 0.00000
391 -0.0451 0.00000
392 -0.0460 0.00000
393 -0.0432 0.00000
394 -0.1057 0.00000
395 -0.1035 0.00000
396 -0.0216 0.00000
397 0.0045 0.00000
398 -0.0441 0.00000
399 -0.0801 0.00000
400 -0.0647 0.00000
401 -0.0034 0.00000
402 -0.0781 0.00000
403 -0.0996 0.00000
404 -0.0326 0.00000
405 -0.0284 0.00000
406 -0.0193 0.00000
407 -0.0192 0.00000
408 -0.0871 0.00000
409 -0.0245 0.00000
410 -0.0093 0.00000
411 -0.0737 0.00000
412 -0.0761 0.00000
413 -0.0396 0.00000
414 -0.0865 0.00000
415 -0.0926 0.00000
416 -0.0543 0.00000
417 -0.0393 0.00000
418 -0.0333 0.00000
419 -0.0130 0.00000
420 -0.0188 0.00000
421 -0.0352 0.00000
422 -0.0082 0.00000
423 -0.0126 0.00000
424 -0.0270 0.00000
425 -0.0339 0.00000
426 -0.0597 0.00000
427 -0.0009 0.00000
428 -0.0573 0.00000
429 -0.0397 0.00000
430 -0.0669 0.00000
431 -0.0141 0.00000
432 -0.0200 0.00000
433 -0.0359 0.00000
434 -0.0039 0.00000
435 -0.0282 0.00000
436 -0.0027 0.00000
437 -0.0217 0.00000
438 -0.0511 0.00000
439 -0.0636 0.00000
440 -0.0273 0.00000
441 -0.0601 0.00000
442 -0.0394 0.00000
443 -0.0432 0.00000
444 -0.0189 0.00000
445 -0.0361 0.00000
446 -0.0215 0.00000
447 -0.0329 0.00000
448 -0.0672 0.00000
449 -0.0194 0.00000
450 -0.0901 0.00000
451 -0.0381 0.00000
452 -0.0030 0.00000
453 -0.0246 0.00000
454 -0.0463 0.00000
455 -0.0638 0.00000
456 -0.0233 0.00000
457 -0.0410 0.00000
458 -0.0689 0.00000
459 -0.0720 0.00000
460 0.1148 0.00000
461 -0.0168 0.00000
462 -0.0713 0.00000
463 -0.0106 0.00000
464 -0.0556 0.00000
465 -0.0673 0.00000
466 -0.0602 0.00000
467 -0.0901 0.00000
468 -0.0677 0.00000
469 -0.0224 0.00000
470 -0.0959 0.00000
471 -0.0102 0.00000
472 -0.1962 0.00000
473 -0.0568 0.00000
474 -0.0551 0.00000
475 -0.1053 0.00000
476 -0.0051 0.00000
477 -0.0439 0.00000
478 -0.0292 0.00000
479 -0.0563 0.00000
480 -0.0268 0.00000
481 -0.0584 0.00000
482 -0.0816 0.00000
483 -0.0313 0.00000
484 -0.0327 0.00000
485 -0.0128 0.00000
486 -0.0615 0.00000
487 -0.2288 0.00000
488 -0.0556 0.00000
489 -0.0721 0.00000
490 0.0195 0.00000
491 -0.0543 0.00000
492 -0.0298 0.00000
493 -0.0640 0.00000
494 -0.0432 0.00000
495 -0.0186 0.00000
496 -0.0623 0.00000
497 -0.0821 0.00000
498 -0.0513 0.00000
499 -0.0551 0.00000
500 -0.0242 0.00000
501 0.0123 0.00000
502 -0.0087 0.00000
503 -0.0416 0.00000
504 0.0156 0.00000
505 -0.0072 0.00000
506 -0.0217 0.00000
507 -0.0452 0.00000
508 -0.0621 0.00000
509 -0.0429 0.00000
510 -0.0847 0.00000
511 -0.0248 0.00000
512 -0.0496 0.00000
513 -0.0504 0.00000
514 -0.0348 0.00000
515 0.0127 0.00000
516 0.0435 0.00000
517 -0.0058 0.00000
518 -0.0402 0.00000
519 -0.0052 0.00000
520 -0.0831 0.00000
521 0.0330 0.00000
522 0.0048 0.00000
523 -0.0050 0.00000
524 -0.0424 0.00000
525 -0.0585 0.00000
526 -0.0864 0.00000
527 -0.0752 0.00000
528 0.0859 0.00000
529 -0.0083 0.00000
530 -0.0165 0.00000
531 -0.0328 0.00000
532 -0.0467 0.00000
533 -0.0079 0.00000
534 -0.0732 0.00000
535 -0.1745 0.00000
536 -0.1030 0.00000
537 -0.0461 0.00000
538 -0.0270 0.00000
539 -0.0203 0.00000
540 0.0118 0.00000
541 -0.0011 0.00000
542 0.0038 0.00000
543 0.0108 0.00000
544 -0.0542 0.00000
545 0.0009 0.00000
546 -0.0530 0.00000
547 -0.0395 0.00000
548 -0.0073 0.00000
549 -0.0220 0.00000
550 -0.0005 0.00000
551 -0.0544 0.00000
552 -0.0264 0.00000
553 -0.0064 0.00000
554 0.0048 0.00000
555 -0.0325 0.00000
556 -0.0606 0.00000
557 -0.0058 0.00000
558 -0.0121 0.00000
559 -0.0080 0.00000
560 -0.0158 0.00000
561 -0.0393 0.00000
562 0.0011 0.00000
563 -0.0600 0.00000
564 -0.0442 0.00000
565 -0.0654 0.00000
566 0.0119 0.00000
567 -0.0060 0.00000
568 0.0218 0.00000
569 -0.0462 0.00000
570 -0.0320 0.00000
571 0.0331 0.00000
572 0.0462 0.00000
573 0.1478 0.00000
574 -0.0385 0.00000
575 0.0013 0.00000
576 0.0150 0.00000
577 -0.0491 0.00000
578 -0.0023 0.00000
579 0.4570 0.00000
580 -0.0082 0.00000
581 -0.0321 0.00000
582 0.0593 0.00000
583 -0.0099 0.00000
584 0.1235 0.00000
585 0.0351 0.00000
586 -0.0063 0.00000
587 0.0285 0.00000
588 -0.0393 0.00000
589 0.0613 0.00000
590 -0.0363 0.00000
591 -0.0066 0.00000
592 -0.0155 0.00000
593 -0.0045 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0257 0.00000
597 0.0201 0.00000
598 0.0910 0.00000
599 0.0655 0.00000
600 -0.0191 0.00000
601 -0.0140 0.00000
602 -0.0766 0.00000
603 -0.0660 0.00000
604 -0.0195 0.00000
605 -0.0697 0.00000
606 0.0068 0.00000
607 0.0558 0.00000
608 -0.0160 0.00000
609 -0.0477 0.00000
610 0.0085 0.00000
611 -0.0864 0.00000
612 -0.0006 0.00000
613 -0.0112 0.00000
614 -0.0996 0.00000
615 -0.1622 0.00000
616 -0.1245 0.00000
617 -0.0400 0.00000
618 -0.0803 0.00000
619 0.0326 0.00000
620 -0.0214 0.00000
621 -0.0336 0.00000
622 0.0618 0.00000
623 -0.0339 0.00000
624 -0.0280 0.00000
625 0.0037 0.00000
626 -0.0209 0.00000
627 -0.0236 0.00000
628 -0.0265 0.00000
629 -0.0028 0.00000
630 0.0175 0.00000
631 -0.0204 0.00000
632 -0.0143 0.00000
633 -0.0009 0.00000
634 0.0009 0.00000
635 0.0580 0.00000
636 -0.0307 0.00000
637 -0.0105 0.00000
638 -0.0284 0.00000
639 0.0011 0.00000
640 -0.0046 0.00000
641 0.0031 0.00000
642 -0.0146 0.00000
643 0.0195 0.00000
644 0.0064 0.00000
645 -0.0098 0.00000
646 0.0155 0.00000
647 -0.0321 0.00000
648 -0.0758 0.00000
649 0.0180 0.00000
650 0.0013 0.00000
651 -0.0058 0.00000
652 -0.1048 0.00000
653 -0.0184 0.00000
654 -0.0342 0.00000
655 -0.0542 0.00000
656 -0.0117 0.00000
657 -0.0098 0.00000
658 0.0082 0.00000
659 -0.0173 0.00000
660 -0.0276 0.00000
661 -0.0269 0.00000
662 -0.0226 0.00000
663 -0.0777 0.00000
664 -0.1255 0.00000
665 -0.0432 0.00000
666 -0.0231 0.00000
667 0.0049 0.00000
668 -0.0198 0.00000
669 -0.0609 0.00000
670 0.0075 0.00000
671 -0.0245 0.00000
672 -0.0045 0.00000
673 -0.0108 0.00000
674 0.0117 0.00000
675 -0.0424 0.00000
676 -0.0117 0.00000
677 -0.0160 0.00000
678 0.0011 0.00000
679 0.0012 0.00000
680 -0.0274 0.00000
681 -0.0226 0.00000
682 0.0010 0.00000
683 0.0068 0.00000
684 -0.0152 0.00000
685 0.0017 0.00000
686 0.0155 0.00000
687 0.0221 0.00000
688 -0.0415 0.00000
689 0.0817 0.00000
690 -0.0213 0.00000
691 -0.0341 0.00000
692 -0.0407 0.00000
693 -0.0741 0.00000
694 0.0445 0.00000
695 -0.0172 0.00000
696 -0.0045 0.00000
697 -0.0333 0.00000
698 -0.0498 0.00000
699 0.0001 0.00000
700 -0.0322 0.00000
701 -0.0169 0.00000
702 -0.0545 0.00000
703 -0.0090 0.00000
704 -0.0578 0.00000
705 -0.0265 0.00000
706 -0.0321 0.00000
707 -0.0601 0.00000
708 -0.0889 0.00000
709 0.0357 0.00000
710 -0.0308 0.00000
711 0.0156 0.00000
712 0.0015 0.00000
713 -0.0103 0.00000
714 -0.0249 0.00000
715 0.0118 0.00000
716 -0.2020 0.00000
717 0.0068 0.00000
718 -0.0229 0.00000
719 -0.0113 0.00000
720 -0.0126 0.00000
721 -0.0059 0.00000
722 -0.0277 0.00000
723 -0.0512 0.00000
724 -0.0028 0.00000
725 0.0189 0.00000
726 -0.0199 0.00000
727 0.0041 0.00000
728 0.0195 0.00000
729 -0.0330 0.00000
730 0.0290 0.00000
731 -0.0463 0.00000
732 0.0539 0.00000
733 0.0085 0.00000
734 0.0308 0.00000
735 -0.0560 0.00000
736 -0.0183 0.00000
737 -0.0109 0.00000
738 0.0158 0.00000
739 -0.0062 0.00000
740 0.0277 0.00000
741 -0.0882 0.00000
742 -0.0188 0.00000
743 -0.0373 0.00000
744 -0.0226 0.00000
745 0.0049 0.00000
746 -0.0570 0.00000
747 -0.0170 0.00000
748 -0.0098 0.00000
749 0.0485 0.00000
750 0.0169 0.00000
751 0.0125 0.00000
752 0.0022 0.00000
753 -0.0127 0.00000
754 0.0289 0.00000
755 0.0298 0.00000
756 -0.0297 0.00000
757 0.0105 0.00000
758 0.0063 0.00000
759 -0.0086 0.00000
760 -0.0637 0.00000
761 0.0508 0.00000
762 0.0251 0.00000
763 0.0244 0.00000
764 0.0932 0.00000
765 -0.0849 0.00000
766 -0.0131 0.00000
767 -0.0053 0.00000
768 0.0167 0.00000
769 -0.0026 0.00000
770 0.0152 0.00000
771 -0.1201 0.00000
772 0.0205 0.00000
773 -0.0251 0.00000
774 -0.0128 0.00000
775 0.0195 0.00000
776 -0.0035 0.00000
777 0.0454 0.00000
778 0.0570 0.00000
779 0.0037 0.00000
780 -0.0075 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0073 0.00000
2 0.0000 0.00000
3 -0.0482 0.00000
4 -0.1050 0.00000
5 -0.1343 0.00000
6 -0.0844 0.00000
7 0.0314 0.00000
8 -0.0203 0.00000
9 -0.1785 0.00000
10 -0.0221 0.00000
11 -0.0573 0.00000
12 0.1550 0.00000
13 -0.0109 0.00000
14 0.0882 0.00000
15 -0.2122 0.00000
16 0.0516 0.00000
17 -0.0369 0.00000
18 -0.0243 0.00000
19 0.0756 0.00000
20 -0.0467 0.00000
21 -0.0971 0.00000
22 -0.1221 0.00000
23 -0.0551 0.00000
24 -0.0473 0.00000
25 -0.2425 0.00000
26 -0.1136 0.00000
27 -0.0809 0.00000
28 -0.1663 0.00000
29 -0.0571 0.00000
30 -0.1118 0.00000
31 -0.2680 0.00000
32 -0.3436 0.00000
33 -0.0265 0.00000
34 -0.0603 0.00000
35 0.0028 0.00000
36 -0.1246 0.00000
37 -0.0998 0.00000
38 -0.0326 0.00000
39 -0.1181 0.00000
40 -0.0588 0.00000
41 -0.0879 0.00000
42 -0.1105 0.00000
43 -0.0806 0.00000
44 -0.1451 0.00000
45 -0.1386 0.00000
46 -0.0422 0.00000
47 -0.1487 0.00000
48 -0.0976 0.00000
49 -0.1182 0.00000
50 -0.0270 0.00000
51 0.0531 0.00000
52 -0.1460 0.00000
53 -0.0138 0.00000
54 -0.0366 0.00000
55 0.0331 0.00000
56 -0.1039 0.00000
57 -0.0708 0.00000
58 -0.1558 0.00000
59 -0.1466 0.00000
60 -0.0994 0.00000
61 -0.3843 0.00000
62 -0.0509 0.00000
63 -0.0016 0.00000
64 -0.0243 0.00000
65 -0.0942 0.00000
66 -0.0765 0.00000
67 -0.1808 0.00000
68 -0.0624 0.00000
69 -0.0034 0.00000
70 0.0974 0.00000
71 -0.0856 0.00000
72 -0.0259 0.00000
73 0.0273 0.00000
74 0.0407 0.00000
75 -0.0178 0.00000
76 0.0636 0.00000
77 0.0280 0.00000
78 -0.0295 0.00000
79 -0.0771 0.00000
80 -0.0125 0.00000
81 -0.1189 0.00000
82 0.0842 0.00000
83 0.0026 0.00000
84 0.0249 0.00000
85 0.0040 0.00000
86 0.0132 0.00000
87 0.0114 0.00000
88 0.0662 0.00000
89 0.0262 0.00000
90 -0.0237 0.00000
91 0.0331 0.00000
92 0.0456 0.00000
93 -0.0431 0.00000
94 -0.0480 0.00000
95 -0.0425 0.00000
96 0.0025 0.00000
97 -0.0676 0.00000
98 0.3711 0.00000
99 0.2509 0.00000
100 0.3154 0.00000
101 0.4596 0.00000
102 -0.0522 0.00000
103 0.1208 0.00000
104 0.0759 0.00000
105 -0.0169 0.00000
106 -0.0277 0.00000
107 0.0980 0.00000
108 0.0386 0.00000
109 -0.0264 0.00000
110 -0.0285 0.00000
111 -0.0361 0.00000
112 0.0906 0.00000
113 0.0126 0.00000
114 -0.0317 0.00000
115 0.4339 0.00000
116 -0.0371 0.00000
117 0.1828 0.00000
118 -0.0001 0.00000
119 -0.0217 0.00000
120 -0.0083 0.00000
121 0.1035 0.00000
122 0.1071 0.00000
123 -0.0158 0.00000
124 0.0210 0.00000
125 0.0726 0.00000
126 0.3778 0.00000
127 -0.0413 0.00000
128 0.0939 0.00000
129 0.0057 0.00000
130 0.0743 0.00000
131 0.1172 0.00000
132 -0.0423 0.00000
133 -0.0186 0.00000
134 0.1052 0.00000
135 -0.0272 0.00000
136 -0.0077 0.00000
137 -0.0630 0.00000
138 -0.0566 0.00000
139 0.0038 0.00000
140 -0.0111 0.00000
141 0.0140 0.00000
142 -0.0362 0.00000
143 -0.0117 0.00000
144 -0.0241 0.00000
145 -0.0336 0.00000
146 -0.0322 0.00000
147 -0.0190 0.00000
148 -0.0210 0.00000
149 -0.1343 0.00000
150 -0.0393 0.00000
151 -0.0771 0.00000
152 0.0765 0.00000
153 -0.0268 0.00000
154 -0.1026 0.00000
155 -0.0448 0.00000
156 -0.0906 0.00000
157 -0.0464 0.00000
158 -0.0236 0.00000
159 -0.0954 0.00000
160 -0.0672 0.00000
161 -0.0052 0.00000
162 -0.0642 0.00000
163 -0.2409 0.00000
164 -0.0594 0.00000
165 -0.0148 0.00000
166 -0.2359 0.00000
167 -0.1028 0.00000
168 -0.0165 0.00000
169 -0.0686 0.00000
170 -0.0381 0.00000
171 -0.0651 0.00000
172 -0.0630 0.00000
173 -0.1263 0.00000
174 -0.0946 0.00000
175 -0.0763 0.00000
176 -0.0419 0.00000
177 -0.0580 0.00000
178 -0.0603 0.00000
179 -0.1877 0.00000
180 -0.0224 0.00000
181 -0.1140 0.00000
182 -0.0502 0.00000
183 -0.0228 0.00000
184 -0.0290 0.00000
185 -0.0292 0.00000
186 -0.0572 0.00000
187 0.0015 0.00000
188 -0.1709 0.00000
189 -0.0845 0.00000
190 -0.0452 0.00000
191 -0.0229 0.00000
192 -0.1079 0.00000
193 -0.0343 0.00000
194 -0.0889 0.00000
195 -0.0436 0.00000
196 -0.0815 0.00000
197 -0.0599 0.00000
198 -0.1038 0.00000
199 -0.0694 0.00000
200 -0.0677 0.00000
201 -0.0029 0.00000
202 -0.0914 0.00000
203 -0.0216 0.00000
204 -0.0208 0.00000
205 -0.0600 0.00000
206 -0.0887 0.00000
207 -0.0431 0.00000
208 -0.0587 0.00000
209 0.0065 0.00000
210 -0.0040 0.00000
211 -0.0573 0.00000
212 -0.0057 0.00000
213 -0.0339 0.00000
214 -0.0341 0.00000
215 0.0419 0.00000
216 -0.0873 0.00000
217 -0.0302 0.00000
218 -0.0747 0.00000
219 -0.1368 0.00000
220 -0.4907 0.00000
221 0.0108 0.00000
222 0.0456 0.00000
223 -0.1036 0.00000
224 -0.0184 0.00000
225 -0.0470 0.00000
226 -0.0366 0.00000
227 -0.0072 0.00000
228 0.0156 0.00000
229 -0.0511 0.00000
230 0.1335 0.00000
231 0.0399 0.00000
232 -0.0194 0.00000
233 -0.0189 0.00000
234 -0.0666 0.00000
235 0.0146 0.00000
236 -0.0042 0.00000
237 0.0247 0.00000
238 0.0292 0.00000
239 0.0416 0.00000
240 0.0009 0.00000
241 -0.0159 0.00000
242 0.0468 0.00000
243 -0.0454 0.00000
244 0.0249 0.00000
245 0.0907 0.00000
246 0.0146 0.00000
247 -0.0611 0.00000
248 -0.2806 0.00000
249 0.0147 0.00000
250 -0.0069 0.00000
251 -0.0705 0.00000
252 -0.0508 0.00000
253 0.0476 0.00000
254 -0.0262 0.00000
255 -0.0263 0.00000
256 0.0134 0.00000
257 0.0068 0.00000
258 -0.0296 0.00000
259 -0.0115 0.00000
260 0.0311 0.00000
261 0.0224 0.00000
262 0.0089 0.00000
263 0.0059 0.00000
264 0.0442 0.00000
265 0.0006 0.00000
266 0.0866 0.00000
267 0.0232 0.00000
268 0.0013 0.00000
269 -0.0076 0.00000
270 0.0327 0.00000
271 0.1470 0.00000
272 0.1913 0.00000
273 0.0093 0.00000
274 0.0676 0.00000
275 0.0733 0.00000
276 -0.0483 0.00000
277 -0.0371 0.00000
278 -0.0055 0.00000
279 0.0118 0.00000
280 -0.0297 0.00000
281 0.0798 0.00000
282 0.0257 0.00000
283 0.0101 0.00000
284 0.0371 0.00000
285 -0.0177 0.00000
286 0.1028 0.00000
287 -0.0137 0.00000
288 0.0546 0.00000
289 -0.0092 0.00000
290 -0.0751 0.00000
291 0.0428 0.00000
292 -0.0028 0.00000
293 0.0351 0.00000
294 -0.0069 0.00000
295 0.0044 0.00000
296 0.0489 0.00000
297 0.1514 0.00000
298 0.1135 0.00000
299 0.1072 0.00000
300 0.0061 0.00000
301 0.2230 0.00000
302 -0.0270 0.00000
303 0.0552 0.00000
304 0.3014 0.00000
305 0.0283 0.00000
306 -0.0306 0.00000
307 0.0296 0.00000
308 0.0310 0.00000
309 0.0799 0.00000
310 -0.0054 0.00000
311 0.2043 0.00000
312 -0.0386 0.00000
313 0.0427 0.00000
314 0.2767 0.00000
315 0.0868 0.00000
316 0.0683 0.00000
317 0.0185 0.00000
318 0.1647 0.00000
319 0.1149 0.00000
320 0.0162 0.00000
321 -0.0018 0.00000
322 0.0386 0.00000
323 -0.0029 0.00000
324 -0.0741 0.00000
325 0.0425 0.00000
326 0.2859 0.00000
327 -0.0243 0.00000
328 -0.0146 0.00000
329 0.1093 0.00000
330 0.0352 0.00000
331 0.1652 0.00000
332 0.0048 0.00000
333 0.0206 0.00000
334 0.0962 0.00000
335 -0.0450 0.00000
336 0.3055 0.00000
337 -0.0219 0.00000
338 0.3352 0.00000
339 -0.0373 0.00000
340 -0.0713 0.00000
341 -0.0502 0.00000
342 0.0486 0.00000
343 -0.0067 0.00000
344 0.0273 0.00000
345 -0.0041 0.00000
346 -0.0267 0.00000
347 -0.0252 0.00000
348 -0.0257 0.00000
349 -0.0009 0.00000
350 -0.0489 0.00000
351 -0.0433 0.00000
352 -0.0698 0.00000
353 -0.0225 0.00000
354 -0.0214 0.00000
355 0.0292 0.00000
356 -0.0172 0.00000
357 0.0121 0.00000
358 0.1334 0.00000
359 -0.0360 0.00000
360 -0.0622 0.00000
361 0.0463 0.00000
362 0.0206 0.00000
363 -0.0595 0.00000
364 0.0187 0.00000
365 -0.0900 0.00000
366 -0.0363 0.00000
367 -0.0318 0.00000
368 -0.0586 0.00000
369 0.0092 0.00000
370 0.0291 0.00000
371 -0.0178 0.00000
372 -0.1899 0.00000
373 -0.0069 0.00000
374 -0.0207 0.00000
375 -0.0105 0.00000
376 -0.0350 0.00000
377 -0.0288 0.00000
378 -0.0528 0.00000
379 -0.0247 0.00000
380 -0.0703 0.00000
381 -0.0339 0.00000
382 -0.0537 0.00000
383 -0.0081 0.00000
384 -0.1528 0.00000
385 0.0080 0.00000
386 -0.0693 0.00000
387 -0.0087 0.00000
388 -0.0170 0.00000
389 -0.0996 0.00000
390 -0.0512 0.00000
391 -0.0395 0.00000
392 -0.0177 0.00000
393 -0.0087 0.00000
394 -0.0132 0.00000
395 -0.0688 0.00000
396 -0.0637 0.00000
397 -0.0373 0.00000
398 -0.0769 0.00000
399 -0.0377 0.00000
400 -0.0614 0.00000
401 -0.0411 0.00000
402 -0.0498 0.00000
403 -0.0691 0.00000
404 -0.0533 0.00000
405 -0.0544 0.00000
406 -0.0912 0.00000
407 0.0144 0.00000
408 -0.0577 0.00000
409 -0.0311 0.00000
410 -0.0549 0.00000
411 -0.0191 0.00000
412 -0.1093 0.00000
413 -0.0104 0.00000
414 -0.0106 0.00000
415 -0.1058 0.00000
416 -0.0646 0.00000
417 -0.0532 0.00000
418 -0.0773 0.00000
419 -0.0306 0.00000
420 -0.0143 0.00000
421 -0.0192 0.00000
422 -0.0408 0.00000
423 -0.0377 0.00000
424 -0.0130 0.00000
425 -0.0038 0.00000
426 -0.0394 0.00000
427 -0.0512 0.00000
428 -0.0257 0.00000
429 -0.0369 0.00000
430 -0.0405 0.00000
431 -0.0507 0.00000
432 0.0033 0.00000
433 -0.0214 0.00000
434 -0.0230 0.00000
435 -0.0412 0.00000
436 -0.0230 0.00000
437 -0.0345 0.00000
438 0.0040 0.00000
439 -0.0396 0.00000
440 -0.0159 0.00000
441 -0.0216 0.00000
442 -0.0428 0.00000
443 -0.0049 0.00000
444 -0.0702 0.00000
445 -0.1146 0.00000
446 -0.0744 0.00000
447 0.0107 0.00000
448 -0.0144 0.00000
449 -0.0436 0.00000
450 -0.1193 0.00000
451 -0.0091 0.00000
452 -0.0277 0.00000
453 -0.0444 0.00000
454 -0.0963 0.00000
455 0.0081 0.00000
456 -0.0286 0.00000
457 -0.0476 0.00000
458 -0.0557 0.00000
459 -0.0240 0.00000
460 -0.0193 0.00000
461 -0.0046 0.00000
462 -0.0064 0.00000
463 -0.0126 0.00000
464 -0.0453 0.00000
465 -0.0785 0.00000
466 -0.0401 0.00000
467 -0.0391 0.00000
468 -0.0417 0.00000
469 -0.0617 0.00000
470 -0.0319 0.00000
471 -0.0288 0.00000
472 -0.1341 0.00000
473 0.0072 0.00000
474 -0.0471 0.00000
475 -0.2411 0.00000
476 -0.0710 0.00000
477 -0.0661 0.00000
478 -0.0149 0.00000
479 -0.0222 0.00000
480 -0.0616 0.00000
481 -0.0143 0.00000
482 -0.1042 0.00000
483 -0.0706 0.00000
484 -0.0334 0.00000
485 -0.0955 0.00000
486 -0.0964 0.00000
487 -0.0774 0.00000
488 -0.0392 0.00000
489 -0.0250 0.00000
490 -0.0643 0.00000
491 -0.0354 0.00000
492 -0.1073 0.00000
493 -0.0881 0.00000
494 0.0073 0.00000
495 -0.0546 0.00000
496 -0.0654 0.00000
497 -0.0914 0.00000
498 -0.0116 0.00000
499 0.0206 0.00000
500 -0.0471 0.00000
501 0.0044 0.00000
502 -0.0629 0.00000
503 0.0119 0.00000
504 -0.0529 0.00000
505 -0.0101 0.00000
506 -0.0106 0.00000
507 -0.0225 0.00000
508 -0.0422 0.00000
509 0.0152 0.00000
510 0.0057 0.00000
511 -0.0849 0.00000
512 -0.0416 0.00000
513 -0.0196 0.00000
514 -0.0632 0.00000
515 -0.0436 0.00000
516 -0.0283 0.00000
517 -0.0028 0.00000
518 -0.0180 0.00000
519 -0.0554 0.00000
520 -0.0177 0.00000
521 0.0631 0.00000
522 0.0048 0.00000
523 -0.1128 0.00000
524 -0.0472 0.00000
525 -0.0367 0.00000
526 -0.0118 0.00000
527 -0.0221 0.00000
528 -0.0049 0.00000
529 -0.0497 0.00000
530 -0.0224 0.00000
531 -0.0185 0.00000
532 -0.0122 0.00000
533 -0.0833 0.00000
534 -0.0495 0.00000
535 0.0545 0.00000
536 -0.0593 0.00000
537 -0.1472 0.00000
538 -0.0436 0.00000
539 -0.0043 0.00000
540 -0.0613 0.00000
541 -0.0295 0.00000
542 -0.0287 0.00000
543 -0.0269 0.00000
544 0.0732 0.00000
545 -0.0379 0.00000
546 0.0036 0.00000
547 -0.0511 0.00000
548 -0.0249 0.00000
549 -0.0148 0.00000
550 -0.0468 0.00000
551 -0.0151 0.00000
552 -0.0201 0.00000
553 -0.0674 0.00000
554 -0.0116 0.00000
555 -0.0138 0.00000
556 -0.0317 0.00000
557 0.0193 0.00000
558 -0.0760 0.00000
559 0.0179 0.00000
560 -0.0905 0.00000
561 -0.0275 0.00000
562 -0.0032 0.00000
563 0.0605 0.00000
564 -0.0266 0.00000
565 -0.0748 0.00000
566 -0.0338 0.00000
567 0.0121 0.00000
568 -0.0534 0.00000
569 0.0032 0.00000
570 0.0030 0.00000
571 0.0219 0.00000
572 0.0121 0.00000
573 0.0634 0.00000
574 -0.0023 0.00000
575 0.0634 0.00000
576 0.0314 0.00000
577 -0.0346 0.00000
578 -0.0263 0.00000
579 0.1556 0.00000
580 0.2330 0.00000
581 -0.0116 0.00000
582 -0.0142 0.00000
583 0.2020 0.00000
584 0.0824 0.00000
585 -0.0091 0.00000
586 -0.0350 0.00000
587 0.0256 0.00000
588 -0.0362 0.00000
589 0.0617 0.00000
590 -0.0355 0.00000
591 -0.0070 0.00000
592 -0.0151 0.00000
593 -0.0046 0.00000
594 0.0109 0.00000
595 0.0117 0.00000
596 0.0257 0.00000
597 0.0201 0.00000
598 0.0940 0.00000
599 0.0606 0.00000
600 0.0047 0.00000
601 -0.0714 0.00000
602 -0.0814 0.00000
603 -0.0005 0.00000
604 -0.0332 0.00000
605 -0.0338 0.00000
606 -0.0670 0.00000
607 0.0343 0.00000
608 0.0838 0.00000
609 -0.0106 0.00000
610 -0.0028 0.00000
611 -0.0865 0.00000
612 -0.0190 0.00000
613 -0.0252 0.00000
614 -0.1501 0.00000
615 -0.2256 0.00000
616 -0.0248 0.00000
617 -0.1504 0.00000
618 -0.0189 0.00000
619 0.0145 0.00000
620 -0.0636 0.00000
621 0.0199 0.00000
622 0.0111 0.00000
623 -0.0075 0.00000
624 0.0164 0.00000
625 0.0266 0.00000
626 0.0137 0.00000
627 -0.0247 0.00000
628 -0.0732 0.00000
629 0.0047 0.00000
630 -0.0035 0.00000
631 0.0255 0.00000
632 -0.0560 0.00000
633 0.0391 0.00000
634 0.0239 0.00000
635 0.0269 0.00000
636 0.0180 0.00000
637 -0.0233 0.00000
638 -0.0075 0.00000
639 0.0008 0.00000
640 -0.0409 0.00000
641 -0.0323 0.00000
642 -0.0024 0.00000
643 -0.0416 0.00000
644 -0.0043 0.00000
645 -0.0033 0.00000
646 -0.0415 0.00000
647 -0.0225 0.00000
648 -0.0246 0.00000
649 -0.0143 0.00000
650 -0.0055 0.00000
651 -0.0047 0.00000
652 -0.0171 0.00000
653 -0.0118 0.00000
654 -0.0478 0.00000
655 -0.0444 0.00000
656 -0.0146 0.00000
657 -0.0565 0.00000
658 -0.0073 0.00000
659 0.0041 0.00000
660 -0.0711 0.00000
661 -0.0112 0.00000
662 -0.0474 0.00000
663 0.0086 0.00000
664 -0.0045 0.00000
665 -0.1135 0.00000
666 -0.0038 0.00000
667 -0.0419 0.00000
668 -0.0035 0.00000
669 0.0043 0.00000
670 -0.0035 0.00000
671 -0.0035 0.00000
672 -0.0213 0.00000
673 -0.0160 0.00000
674 -0.0316 0.00000
675 -0.0003 0.00000
676 -0.0559 0.00000
677 -0.0188 0.00000
678 -0.0426 0.00000
679 0.0149 0.00000
680 -0.0127 0.00000
681 -0.0116 0.00000
682 -0.0432 0.00000
683 -0.0029 0.00000
684 -0.0113 0.00000
685 -0.0148 0.00000
686 0.0010 0.00000
687 -0.0298 0.00000
688 -0.0041 0.00000
689 -0.0159 0.00000
690 -0.0685 0.00000
691 -0.0539 0.00000
692 0.0240 0.00000
693 -0.0364 0.00000
694 -0.0412 0.00000
695 0.0181 0.00000
696 -0.0294 0.00000
697 -0.0221 0.00000
698 -0.0343 0.00000
699 0.0526 0.00000
700 -0.0126 0.00000
701 -0.0232 0.00000
702 0.0044 0.00000
703 -0.0702 0.00000
704 -0.0228 0.00000
705 0.0003 0.00000
706 -0.0085 0.00000
707 -0.0231 0.00000
708 -0.0294 0.00000
709 -0.0569 0.00000
710 -0.0361 0.00000
711 0.0075 0.00000
712 0.0522 0.00000
713 -0.0645 0.00000
714 -0.0005 0.00000
715 -0.0140 0.00000
716 0.0029 0.00000
717 -0.0091 0.00000
718 0.0075 0.00000
719 -0.0054 0.00000
720 -0.0193 0.00000
721 -0.0002 0.00000
722 -0.0323 0.00000
723 0.0008 0.00000
724 -0.0071 0.00000
725 -0.0477 0.00000
726 -0.0409 0.00000
727 0.0749 0.00000
728 0.0031 0.00000
729 0.0346 0.00000
730 -0.0344 0.00000
731 -0.0304 0.00000
732 -0.1510 0.00000
733 -0.0009 0.00000
734 0.0144 0.00000
735 -0.0536 0.00000
736 -0.1253 0.00000
737 -0.0099 0.00000
738 0.0233 0.00000
739 -0.0066 0.00000
740 -0.0187 0.00000
741 -0.0437 0.00000
742 -0.0269 0.00000
743 -0.0346 0.00000
744 0.0553 0.00000
745 -0.0644 0.00000
746 -0.0419 0.00000
747 0.0266 0.00000
748 0.0037 0.00000
749 0.0046 0.00000
750 0.0394 0.00000
751 0.0320 0.00000
752 0.0044 0.00000
753 -0.0185 0.00000
754 0.0072 0.00000
755 0.0445 0.00000
756 -0.0207 0.00000
757 -0.0287 0.00000
758 -0.0272 0.00000
759 0.0804 0.00000
760 -0.0823 0.00000
761 -0.0038 0.00000
762 0.0090 0.00000
763 -0.0082 0.00000
764 0.0870 0.00000
765 -0.0313 0.00000
766 0.0136 0.00000
767 -0.0291 0.00000
768 -0.0211 0.00000
769 0.0237 0.00000
770 -0.0247 0.00000
771 0.0374 0.00000
772 0.0070 0.00000
773 0.0111 0.00000
774 -0.0266 0.00000
775 0.0884 0.00000
776 0.2120 0.00000
777 0.0330 0.00000
778 -0.0253 0.00000
779 0.0106 0.00000
780 0.0315 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 2 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
10.14301 -3.21846 -1.58955
-3.21818-22.76700 -1.38041
-1.58985 -1.38036 6.91650
POSITION FORCE-CONSTANT FOR ION 2 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.012088 -0.093909 -0.015130
4.30302 2.15352 7.05746 1.527209 -31.238042 -1.405411
1.30883 4.06731 2.03161 -0.091343 -0.019768 -0.134915
3.96992 4.32885 4.13194 -0.082475 0.130509 -1.027778
1.29275 3.05683 8.10201 -1.277286 0.575268 0.394725
3.79636 1.47547 14.70421 0.001678 -0.117131 -0.003170
1.24643 4.63551 10.86193 -0.060035 0.122984 0.281351
3.89005 4.20092 12.88287 0.042578 -0.081645 0.142378
1.04482 6.69020 17.44020 -0.016405 0.036420 -0.019560
3.77370 7.04599 6.61024 -0.139262 0.424470 -0.090467
0.71312 9.21049 2.53845 -0.004478 0.050591 -0.013628
3.86880 9.70388 4.59023 -0.008225 0.302638 -0.052121
1.19399 7.29663 8.75952 -0.160490 0.193578 0.096983
4.14925 6.52609 15.71477 0.005251 0.025940 0.005537
1.16791 10.19708 10.50563 0.011550 0.198872 0.009813
3.90202 11.30466 11.97145 -0.005299 0.085874 0.002152
1.41963 13.48240 16.88000 0.022039 0.035450 0.027078
3.89470 12.50036 6.39588 0.000921 0.377531 -0.008376
1.24092 15.65995 2.03746 0.120928 -0.064249 0.145665
3.45676 13.88732 3.60018 0.061780 0.139184 0.215743
1.37686 12.90671 8.69683 0.115609 0.156421 -0.073651
4.20896 12.98001 14.89140 0.001376 0.048612 -0.008270
1.28271 15.54574 11.35729 0.060031 0.056631 -0.125847
4.02704 16.14416 13.12883 0.027105 -0.011996 -0.125199
8.51844 2.13686 0.32759 0.024729 -0.046681 -0.019261
10.42520 1.68659 6.72748 0.002135 -0.130865 -0.049947
6.89192 4.41938 2.41726 0.115785 0.032117 -0.124255
10.22536 4.35381 4.16682 0.054520 -0.018025 -0.002137
7.19238 2.15284 8.75827 0.342650 0.029237 0.183939
10.67141 2.29852 15.08728 0.004202 -0.049998 -0.010567
7.24075 4.59797 11.01224 0.094795 -0.085837 0.122441
10.30176 4.56419 12.61212 0.041353 -0.010393 0.041231
6.40057 6.85176 0.36515 0.000568 0.053678 -0.027114
9.75325 6.62606 6.90745 0.087214 -0.004102 -0.016271
6.24007 9.67823 1.67645 0.008853 0.069901 -0.009243
6.65558 7.06042 8.79421 0.248424 0.196167 0.226532
11.80692 6.94639 14.05727 0.002244 0.028087 0.006358
6.39955 9.97659 10.34026 -0.001312 0.225631 0.049750
11.03265 10.16848 13.84914 -0.001083 0.037789 0.004878
6.77345 12.10505 16.99256 -0.016435 0.063641 -0.002875
10.32223 13.09442 6.99099 -0.088778 0.032365 0.016993
10.59365 15.96480 4.77521 -0.061967 -0.024205 0.000227
6.94250 12.79247 7.88185 -0.117228 0.171896 -0.056041
10.18654 12.31147 16.08279 -0.014487 0.026180 0.007792
7.13888 17.01345 11.20310 -0.115436 0.032494 -0.047440
10.37682 0.23169 12.64835 -0.042522 -0.011410 -0.021032
13.24904 1.54346 17.14370 0.000430 -0.024898 -0.013057
15.89410 1.64185 6.44545 -0.111411 -0.020903 -0.118090
12.98857 4.28042 2.14546 0.005151 -0.015108 -0.032405
15.96785 4.32998 4.48967 -0.053966 -0.016056 -0.036757
13.27097 1.52537 8.57426 -0.047712 -0.053603 0.050445
16.03461 1.53130 15.21659 -0.004142 -0.049932 0.005202
13.37701 3.97590 10.80799 -0.011662 -0.011894 0.006873
16.23421 4.17555 13.11475 -0.074143 -0.030520 0.091202
13.12188 6.75851 16.83328 -0.005474 0.014288 -0.004047
16.15350 6.82329 6.57280 -0.092872 0.064906 -0.055701
13.80451 11.28726 3.11364 -0.012728 0.037838 -0.004137
16.01530 9.31599 4.57229 -0.005050 0.081397 -0.024497
16.24774 6.95131 14.97400 -0.005188 0.032539 0.001347
13.37358 11.10317 11.33384 0.001401 0.049588 -0.007331
16.26481 10.28310 12.82929 -0.001157 0.042994 -0.001022
13.02958 12.87265 0.34345 -0.001913 0.018918 -0.003775
15.63587 13.81058 6.90598 0.069630 0.014602 0.030753
13.11026 15.86276 1.91698 -0.005378 -0.000652 0.025613
16.04847 15.98249 4.25314 0.083362 -0.073781 0.009366
12.92950 13.50280 9.01948 0.002625 0.021488 -0.040207
16.03470 13.24150 15.21399 0.015042 0.032051 0.002143
13.00717 16.52927 10.76204 -0.011403 -0.039805 0.024919
15.92967 15.85673 13.13419 0.076438 -0.021897 -0.053350
1.86054 17.36365 1.29865 -0.006158 0.050615 -0.033744
4.17830 2.73136 5.21241 -0.433173 4.403984 -3.366055
3.26426 5.75851 5.24301 0.085987 -0.093355 0.131527
17.49829 1.67854 7.58538 0.363514 0.043300 0.065140
1.16532 17.05709 10.27678 0.034729 0.025075 -0.012991
3.43296 5.28736 14.40974 -0.007197 0.003559 -0.022841
5.78979 4.58179 12.35127 -0.005029 0.025531 -0.029562
2.66622 1.96025 16.18884 -0.004619 0.025179 -0.000273
17.32027 0.89679 16.51550 -0.004264 0.021685 -0.002505
0.46199 8.18893 0.93413 0.001512 -0.011096 -0.002684
5.39231 10.11127 3.40660 0.004363 -0.029482 0.002425
2.32066 9.80687 3.44943 -0.009008 -0.035496 0.004427
4.91964 7.92130 14.71679 -0.001937 -0.004000 0.000597
2.68710 7.23238 16.69438 0.001729 -0.004917 -0.001262
0.01020 10.88204 2.02154 0.001903 -0.007513 0.003326
4.21835 0.28129 6.98759 0.593007 13.945993 -0.042692
17.23783 13.81793 8.03064 -0.039904 0.003178 -0.004073
4.79582 14.66186 14.12172 -0.005162 -0.015444 0.022056
1.82404 14.00413 10.26937 -0.001062 -0.033031 0.025349
5.26768 16.92854 11.79676 0.007970 -0.022377 0.045536
10.96027 2.96124 5.34122 -0.009017 0.037242 0.000482
6.97457 3.04582 1.08259 -0.028598 0.026627 0.033896
10.16898 6.05361 5.08582 -0.022335 0.009731 0.001569
8.34039 4.05066 3.68939 -0.036592 0.001554 0.001124
8.74489 2.42632 7.55292 -0.109358 0.058623 -0.027279
7.18775 0.35634 9.46384 -0.133026 0.125621 -0.134024
11.47395 4.04892 11.19556 -0.005204 0.005258 -0.005800
9.15080 2.77757 16.12393 -0.004577 0.020989 0.005650
7.98734 0.36277 0.04247 -0.007792 0.020271 0.006066
8.09306 7.37877 7.53063 -0.079062 -0.023347 0.001307
5.20414 6.37683 7.73407 -0.113049 -0.155883 -0.078375
12.25313 11.32613 12.87115 -0.002039 -0.004842 0.001149
7.88582 9.71337 11.41294 -0.004254 -0.031576 -0.004599
7.90588 7.26091 16.85699 -0.001504 -0.002895 0.002485
11.07224 14.64349 6.08452 0.012031 0.000341 -0.002332
9.97410 0.03402 5.82220 0.022144 0.046354 0.022932
11.77786 16.49122 3.26041 0.012611 0.010651 -0.013822
6.65717 11.67689 9.40508 -0.003677 -0.077713 0.035994
7.76961 15.24886 11.07941 0.016799 0.005474 -0.014836
8.52712 0.41686 12.29829 0.032564 0.004799 0.027563
13.11181 17.12784 0.26607 0.001446 0.013348 -0.004725
13.20693 2.50512 1.34897 -0.001666 0.019023 0.013035
17.29335 3.71694 3.19979 0.020121 0.015205 0.019732
14.20035 4.69758 3.69278 0.011629 0.009738 0.012524
14.59997 3.56179 12.23787 0.008575 0.008494 -0.010893
13.57708 5.48481 0.72232 0.002653 0.004053 0.008570
12.29749 8.18631 0.22048 0.001932 0.000434 -0.000440
16.86596 10.59176 5.62457 -0.007036 -0.011729 -0.006462
16.66958 8.43890 13.63905 0.002062 -0.010488 0.004457
16.67265 11.67449 14.15979 -0.000149 -0.011456 -0.004849
14.70756 7.45696 15.98014 0.001435 -0.001248 0.000316
16.06899 0.34084 4.92526 0.008412 0.050675 0.030005
14.63768 15.41566 3.05858 -0.010851 0.012408 -0.008330
12.21694 15.07373 9.87203 0.003501 0.010322 0.002093
15.65466 0.14914 13.86557 -0.010002 0.022792 0.011008
14.35754 15.71932 11.91759 -0.006073 0.010920 0.004371
14.30081 12.83268 16.21967 -0.000862 0.001052 0.000680
8.77223 10.39607 2.47225 0.007416 0.015867 0.005207
12.91187 8.54216 10.48161 0.000014 0.023282 0.000681
8.49467 15.82840 2.99445 -0.017354 -0.001670 -0.000452
1.32045 2.68577 1.08043 0.009429 0.089047 0.067028
5.44581 4.42337 3.31859 -0.007611 0.044932 0.080432
2.71895 4.15019 2.95898 0.019886 0.044109 0.059662
2.89361 2.63574 7.84048 -3.584194 4.653623 2.119790
3.72928 2.61904 13.46082 -0.002309 0.101234 -0.051312
1.12195 3.42722 9.72736 0.154737 -0.152117 -0.300032
2.69176 4.49808 11.70258 -0.052284 0.008964 -0.129790
1.13271 5.33613 0.95032 0.011282 -0.015865 0.034263
4.03043 8.42197 5.67301 0.008816 -0.287068 0.168853
3.75157 11.03623 5.64253 -0.000914 -0.228005 -0.082306
2.52170 7.25791 7.75547 0.144473 -0.100913 -0.076018
17.39856 7.13193 7.68295 0.081259 -0.029059 0.030040
1.18188 6.06412 9.94036 0.035624 -0.076983 -0.034203
1.18202 8.73358 9.65531 0.017231 -0.154580 -0.079973
3.91098 11.84592 13.59643 -0.001711 -0.025874 -0.004632
5.12928 10.31683 11.41789 0.024051 -0.059691 -0.010232
2.50977 10.51875 11.46580 -0.021122 -0.050035 -0.008582
17.45087 6.59897 16.12377 0.009866 -0.004623 0.006246
3.55980 13.67281 5.25157 -0.015650 -0.198944 -0.057463
1.28803 14.62748 0.64715 -0.015370 -0.013150 -0.053453
4.98905 14.24610 3.11864 0.013992 -0.041646 -0.072898
2.40264 15.06164 3.08512 -0.106379 0.013415 -0.139339
2.72172 12.72875 7.62075 -0.056858 -0.093351 0.038684
1.06333 11.39589 9.35618 -0.021347 -0.133167 0.059418
3.61212 17.43666 14.11103 -0.017514 0.095203 0.067303
2.61877 15.69429 12.36150 0.013715 0.001758 0.060722
2.80206 13.36593 15.83914 -0.010471 -0.006391 0.005013
17.47316 13.58140 16.05649 -0.025541 -0.007993 -0.014614
9.77890 2.08644 1.42003 -0.004955 0.022746 0.008308
11.39452 4.37239 2.86549 -0.024024 0.015672 0.022543
5.75314 2.47184 7.89843 2.298140 4.134211 1.230694
10.58974 3.42804 13.84178 -0.006791 0.034175 -0.022838
7.29963 3.26088 10.01774 -0.038455 0.076845 0.053489
10.61644 6.04073 13.30213 -0.011622 -0.004586 -0.011117
8.72282 4.57356 11.93667 -0.059171 0.022610 -0.040565
6.87268 5.85394 1.60201 -0.007370 -0.024200 0.038178
10.69996 7.99849 7.09252 -0.034418 -0.019924 0.004449
5.73707 8.23825 1.01832 -0.002943 -0.040344 -0.007378
10.63831 11.82289 5.95914 0.021267 -0.024747 -0.019334
12.27791 10.92294 3.59234 0.004765 -0.008552 -0.003590
7.82470 9.40720 2.06031 -0.009357 -0.015225 -0.000906
7.06519 5.95381 10.03323 -0.076540 0.049715 -0.113581
11.49637 8.56646 14.11248 0.004915 -0.024160 0.000830
6.22218 8.54831 9.46647 -0.029864 -0.233125 -0.126593
10.64255 10.88430 15.28736 0.005178 -0.016073 -0.010880
5.27533 6.08183 16.89617 -0.002038 -0.004472 0.004165
6.19392 10.87447 0.49133 -0.003583 -0.038735 0.022127
6.63594 13.50144 0.40946 0.010572 -0.020834 -0.021257
9.20318 15.33527 4.12194 0.052935 0.017476 -0.003337
8.65369 12.87516 7.41323 0.102566 -0.032000 -0.016570
5.50203 12.61795 6.94111 0.042487 -0.102922 0.026131
10.10713 13.64215 15.27789 0.005624 -0.004342 0.001069
10.67911 0.87544 14.08625 0.017411 0.038993 0.039673
11.60356 17.20368 11.75834 0.018204 0.011843 -0.003023
8.39118 11.91622 16.60701 0.015358 -0.009977 -0.004384
5.50451 12.34914 15.80657 0.015632 -0.019855 0.012469
15.73327 3.04046 5.55542 0.027737 0.032044 0.021827
16.46394 5.60663 5.46979 0.044037 0.001757 0.027086
14.52808 1.45286 7.47168 0.087528 0.023117 -0.026399
11.79275 1.56088 7.78873 0.013553 0.035491 0.004329
13.32704 0.21681 9.64565 0.008268 0.055971 -0.038234
16.41790 2.90736 14.26355 0.009640 0.054427 -0.037141
13.45171 2.82808 9.57211 0.010834 0.026091 0.000612
16.10069 5.57752 13.99343 0.011340 -0.016383 -0.024917
0.00005 4.40711 11.99025 0.100125 0.014744 -0.121988
14.62884 1.73967 16.17160 -0.002867 0.019090 0.004575
11.98368 2.03831 16.06725 -0.002297 0.017797 0.003260
15.63239 8.11986 5.68103 0.012035 -0.058406 0.039755
17.11138 8.55854 3.60414 0.002085 -0.028743 0.009547
14.79559 9.98222 3.60061 0.016405 -0.027759 0.011142
14.83832 6.40254 7.47085 0.026687 -0.002614 -0.001303
10.26118 5.42988 7.96507 -0.019987 0.016556 -0.005628
13.84142 5.42996 10.14226 0.008374 0.008788 -0.009799
12.90067 9.94534 10.26834 -0.002790 -0.025788 -0.006933
17.40760 10.25314 11.57387 -0.003306 -0.030001 -0.000429
14.84553 10.65634 12.01294 0.004072 -0.011376 0.002822
12.09160 6.31793 15.56215 0.000717 -0.000612 0.000594
13.66330 11.76838 1.50243 0.002571 -0.007635 0.005214
15.90808 14.97969 5.66759 -0.028430 0.031302 -0.034721
12.90234 14.38066 1.10662 0.000897 -0.001897 -0.007955
17.39979 15.79595 3.12260 -0.073870 0.029557 0.001729
14.24465 13.87010 7.98683 -0.034713 -0.002083 0.015815
11.50975 12.98027 8.22780 0.021968 -0.001252 0.014783
13.37751 12.44417 10.26044 0.001322 -0.025775 0.026016
15.76289 14.59733 14.23402 -0.011811 -0.009321 0.018388
17.35248 15.55367 12.27553 -0.100947 0.003212 0.083340
11.51892 12.39014 17.28946 0.001802 -0.002781 0.000226
2.14782 0.44560 2.19550 -0.001259 -0.014496 0.005210
3.29477 2.11300 4.94555 0.293444 0.094904 1.138814
2.45654 5.15830 5.71352 -0.093314 0.039560 -0.025653
17.13665 1.28635 8.55333 0.035483 0.027831 0.008558
2.05496 17.16622 9.63831 0.011343 -0.018627 -0.025452
2.76007 4.61458 14.97268 0.002688 0.000101 -0.003492
5.82104 5.64963 12.65472 -0.000576 0.005944 0.000739
1.99867 2.73895 15.76239 -0.000331 0.008378 -0.000327
16.62702 0.41219 17.23014 0.001395 0.004606 -0.000293
0.53299 8.97932 0.15968 0.001240 0.003803 0.002738
6.28070 9.99466 4.05905 0.001976 0.010096 -0.000772
2.80484 10.34140 2.60493 0.003737 0.000859 0.008691
5.85876 7.59725 14.24081 0.001856 0.005435 0.000458
2.33378 8.07412 16.06384 0.000113 0.003223 0.001843
0.72196 11.42800 1.39191 0.000778 0.006208 0.001056
4.17641 17.36384 8.00554 -0.001172 0.597614 0.225708
0.17664 14.81238 7.80592 0.018864 -0.009420 -0.006013
5.28314 15.15948 14.98492 0.001635 0.001081 0.002662
1.99589 13.21868 11.02572 -0.008538 -0.000235 0.009414
4.90269 16.46159 10.85427 0.008969 0.042845 -0.006111
11.44760 2.27402 4.62061 -0.007852 0.000228 0.006145
6.42001 2.18281 1.50214 0.005054 -0.004793 -0.006875
11.20298 6.44871 5.00937 -0.003774 0.004151 0.002724
8.23943 2.94593 3.71752 0.005587 0.001857 0.000441
9.07830 3.43667 7.86385 -0.018254 0.007773 0.012847
8.13841 17.45818 9.05432 0.013656 0.067287 -0.014427
11.09062 4.59939 10.31069 0.002332 0.004693 -0.000341
8.29143 2.75175 15.42638 0.000410 0.001420 -0.000080
8.82941 17.22992 17.22214 -0.000200 0.008149 0.000856
7.50840 7.62286 6.62087 0.009872 0.020907 -0.013324
4.60511 5.74329 8.41778 -0.026698 0.059013 0.099961
12.92668 11.75537 13.63632 -0.000261 0.003752 -0.000247
8.02117 10.55523 12.10517 -0.007005 0.003311 -0.007035
8.67556 7.71636 17.49570 -0.000830 0.005649 -0.000532
11.47875 15.24589 6.91703 0.000590 0.002812 0.001156
9.35972 16.97903 6.56192 -0.009501 0.012993 -0.015733
11.03713 17.07922 2.67792 -0.002737 0.001100 0.001092
7.42775 12.08916 10.09180 -0.001106 0.000492 0.001744
7.92017 14.83580 12.09082 0.001373 0.013893 0.004591
8.50905 1.48718 11.99359 0.001624 -0.002088 -0.001756
13.83892 16.58967 17.12637 0.000047 0.007098 -0.001610
14.18064 2.16404 1.76300 -0.001430 0.002501 0.000046
0.22637 2.85420 3.74771 -0.009019 -0.008450 -0.004229
13.55731 4.46328 4.56374 0.000579 0.003160 0.001559
13.93368 3.48067 13.12140 0.004316 0.005982 -0.000204
14.29477 4.78199 0.25086 -0.001713 0.002155 0.000681
12.05112 9.01860 17.04503 -0.000046 0.004580 0.000577
16.27694 10.80430 6.52497 0.001535 0.008163 -0.001031
16.72250 7.84092 12.70809 -0.000526 0.003171 -0.000332
0.08131 12.14367 13.72814 -0.002063 0.004726 -0.001099
15.18747 8.06134 16.77823 -0.000100 0.004570 -0.000916
15.33129 0.80027 4.23469 -0.009385 0.013762 0.015216
15.22283 14.74953 2.39790 0.004476 0.008514 0.002629
11.52991 14.60593 10.60396 -0.001606 0.007846 -0.000181
14.54913 0.08259 13.94141 -0.001376 0.007178 0.001482
13.64918 15.17179 12.57877 -0.004072 0.006217 -0.001383
14.26990 11.73639 16.04700 -0.001366 0.003268 -0.000492
2.83011 17.00291 0.89614 -0.002900 0.003035 0.003632
5.01762 2.19884 4.72481 0.028635 0.095304 1.073456
2.72197 6.40768 4.52960 0.018720 -0.026572 0.019961
0.61592 0.85326 7.17988 0.023535 -0.015543 0.006735
1.05804 0.47662 10.87149 -0.020630 -0.001975 0.033310
2.72869 6.02833 13.97220 -0.001327 0.009355 0.004491
6.27365 4.07474 13.21275 -0.005314 -0.001895 -0.012849
3.39789 2.54642 16.78232 0.001161 0.006361 -0.000007
0.26647 0.03376 15.97352 0.001771 0.007134 0.001312
16.86896 8.04953 1.06168 0.000386 0.004443 -0.000836
5.26691 11.21282 3.35522 -0.008976 -0.000379 0.006646
1.79651 10.63408 3.97172 0.007914 -0.000139 0.002424
4.24367 8.25477 13.91418 0.000138 0.007055 0.001355
3.20146 7.72932 0.04071 0.001085 0.005634 -0.002149
17.29565 11.52683 2.88643 0.002705 0.003898 -0.002020
5.09458 17.34903 6.48077 0.154525 0.366029 -0.083825
16.80060 13.95067 9.04167 -0.005557 0.001750 -0.000495
5.65314 14.35380 13.49055 -0.003258 0.008755 -0.002655
2.85103 14.37043 10.06567 -0.021160 0.019925 -0.023812
4.88020 0.46410 11.72901 -0.001158 -0.011426 -0.016384
11.82432 3.49932 5.78478 0.001202 0.010287 -0.002816
6.33916 3.40343 0.25044 0.000153 0.004911 0.000962
9.59394 6.71839 4.41200 0.003461 0.008628 -0.002026
7.91802 4.38505 4.66043 0.012293 0.009528 0.008306
8.23543 2.62518 6.58554 0.021795 -0.008722 -0.023195
6.41431 17.32071 8.88054 -0.079361 0.069571 -0.057820
11.14557 3.00954 10.98712 0.001879 0.005640 0.001345
9.36027 3.86210 16.23230 0.000332 0.006661 -0.001036
7.53966 17.41529 0.94072 0.002014 0.002786 0.000270
8.48774 8.36338 7.84778 -0.013675 -0.001639 0.006723
5.72768 5.64505 7.08615 0.093128 0.052327 -0.046391
11.53162 12.14308 12.66419 0.000167 0.003511 -0.000650
7.77778 8.79967 12.01567 0.006864 0.002713 0.007793
7.67148 7.97660 16.05599 -0.000828 0.004946 0.002352
11.96712 14.11387 5.69832 0.004797 0.006926 0.000286
9.20674 0.45352 5.13285 -0.009301 -0.007664 0.011002
12.42086 17.27854 3.71166 0.004191 0.004996 -0.000146
5.72984 12.20671 9.71226 0.006335 0.002115 -0.009534
7.06651 14.59485 10.54611 -0.002595 0.019360 -0.006404
8.18003 0.43236 13.34917 0.005167 0.004163 0.005139
12.13433 16.79403 17.35819 0.000003 0.005741 -0.000226
12.47800 1.85419 1.86970 0.001528 0.002717 0.000088
16.61133 3.22326 2.47663 0.007372 0.006499 0.003609
14.18380 5.80672 3.64923 0.000808 0.005123 0.000571
14.87276 2.50739 12.03337 -0.001351 0.003274 0.002241
14.23243 6.19147 1.27631 -0.000019 0.006334 -0.001252
12.93327 8.58137 1.02753 -0.000483 0.005482 -0.000328
0.31818 10.15222 5.96061 0.003027 0.010330 0.001049
0.23893 8.66414 13.84372 -0.000673 0.005532 0.000482
17.08408 11.06555 14.99139 0.000827 0.004848 0.001156
14.24371 8.22849 15.33189 0.000486 0.003715 0.000627
17.03243 0.72423 4.52831 0.006785 -0.010324 0.008608
14.06257 14.70897 3.69175 -0.001850 0.007840 0.001482
11.55248 15.52990 9.11606 -0.001952 0.000755 0.000087
15.79992 0.71375 12.92180 0.002097 0.000075 -0.001275
14.66771 14.92743 11.20480 0.003995 0.008225 0.000202
13.59723 13.22883 15.45681 -0.000428 0.004115 0.000375
0.28893 16.96969 9.61776 -0.011820 -0.010600 0.004583
5.14861 8.79609 15.34428 -0.000644 0.004184 -0.002012
16.57887 10.76457 1.44815 -0.000393 0.003410 -0.000413
3.32280 17.43531 6.45000 -0.169354 0.245101 -0.096025
7.22345 0.33037 16.74849 0.000609 0.002867 -0.001555
8.80270 9.61454 10.81195 0.002104 0.006278 0.001072
8.32656 6.35754 16.39008 0.001290 0.003612 -0.000536
8.73549 15.20213 10.55252 0.002379 -0.000888 -0.002066
11.35757 7.84337 0.68199 -0.000512 0.004764 -0.000088
17.07689 11.54135 5.11708 0.000873 0.000718 0.004644
1.05898 4.30352 7.32607 0.045052 0.003641 -0.057498
4.03509 12.56543 11.20951 -0.000519 -0.010193 0.004509
2.98241 12.61908 2.99845 -0.008663 -0.011668 -0.023125
13.02951 6.77394 13.23542 0.000088 0.001573 -0.000978
9.81405 10.04557 13.02717 -0.000569 0.000238 -0.000325
14.38062 12.44509 3.83928 0.000566 -0.001151 -0.001455
15.29130 12.60070 6.14349 -0.010940 0.001877 -0.007244
1.51212 12.17674 0.04632 -0.003025 -0.000755 -0.001549
5.20365 1.54821 15.21091 -0.000890 0.017936 0.000829
6.79297 14.20253 8.32851 0.013421 -0.046499 0.007424
11.61515 7.96197 6.76612 -0.002784 0.010031 -0.000506
10.25461 10.96603 6.21744 -0.002709 0.019590 0.001355
11.90891 11.26603 4.43245 -0.005068 0.011509 0.006007
8.53540 10.78259 3.48001 -0.000307 0.005550 -0.003481
9.76681 9.93079 2.50215 0.000569 0.003760 -0.001117
8.80784 11.23977 1.76494 -0.001297 0.002306 0.002307
14.97448 6.01037 8.35394 -0.011978 0.004625 0.007522
10.93413 4.83383 7.59381 -0.000034 0.001573 -0.000558
13.14865 5.92816 9.67432 -0.000513 0.007495 0.003820
12.65000 8.06887 9.52187 -0.000671 0.001992 -0.002982
13.90414 8.18239 10.79823 0.001122 0.002992 0.001620
12.16474 8.24325 11.23577 -0.000307 0.002350 0.001526
5.27827 14.04824 2.20496 -0.018554 0.008190 0.020861
10.20084 2.92381 1.69633 0.002554 -0.001565 -0.006796
7.46833 14.00510 0.41146 -0.001895 0.006297 0.005999
7.48179 15.39929 3.01468 -0.000646 0.015424 0.013436
8.41010 16.93048 3.00754 -0.006061 0.000164 0.006973
8.99741 15.53505 2.05618 0.010782 0.000736 -0.003531
-----------------------------------------------------------------------------------
total drift: -0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 2 DIRECTION 2 : -0.157 1.976 -0.066
rigid augmentation : 0.000 0.199 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : -0.157 -2.223 -0.066
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 6/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 9( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258711; 1190.000000 electrons
Band energy:-0.912024E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258712; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01043307
-V(xc)+E(xc) XCENC = 0.02039332
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02960342
---------------------------------------------------
free energy TOTEN = -0.01964316 eV
energy without entropy = -0.01964316
----------------------------------------- Iteration 9( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258711; 1190.000000 electrons
Band energy:-0.912024E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258712; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.85877E+00 rms(broyden)= 0.85807E+00
rms(prec ) = 0.93311E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01043307
-V(xc)+E(xc) XCENC = 0.02039332
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01296597
---------------------------------------------------
free energy TOTEN = -0.00300572 eV
energy without entropy = -0.00300572
----------------------------------------- Iteration 9( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258717; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258920; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.52720E+00 rms(broyden)= 0.52713E+00
rms(prec ) = 0.57713E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4441
2.4441
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00975356
-V(xc)+E(xc) XCENC = 0.01765645
PAW double counting = 0.01470799 -0.01470958
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01288298
---------------------------------------------------
free energy TOTEN = -0.00498168 eV
energy without entropy = -0.00498168
----------------------------------------- Iteration 9( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258717; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258920; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10895E+00 rms(broyden)= 0.10881E+00
rms(prec ) = 0.13375E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0345
1.6360 2.4330
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00901145
-V(xc)+E(xc) XCENC = 0.01587611
PAW double counting = 0.09717313 -0.09718159
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01306378
---------------------------------------------------
free energy TOTEN = -0.00620758 eV
energy without entropy = -0.00620758
----------------------------------------- Iteration 9( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258660; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258923; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.46982E-01 rms(broyden)= 0.46934E-01
rms(prec ) = 0.62551E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8091
2.7542 1.0693 1.6038
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00868707
-V(xc)+E(xc) XCENC = 0.01544550
PAW double counting = 0.10941969 -0.10942771
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01331971
---------------------------------------------------
free energy TOTEN = -0.00656930 eV
energy without entropy = -0.00656930
----------------------------------------- Iteration 9( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258711; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258926; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.24883E-01 rms(broyden)= 0.24867E-01
rms(prec ) = 0.35364E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7899
2.8044 2.2518 1.0517 1.0517
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00865912
-V(xc)+E(xc) XCENC = 0.01544716
PAW double counting = 0.11596331 -0.11597175
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01334749
---------------------------------------------------
free energy TOTEN = -0.00656789 eV
energy without entropy = -0.00656789
----------------------------------------- Iteration 9( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258655; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258928; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11309E-01 rms(broyden)= 0.11303E-01
rms(prec ) = 0.18131E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8168
3.1043 2.3401 1.6880 0.9758 0.9758
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00863041
-V(xc)+E(xc) XCENC = 0.01545591
PAW double counting = 0.11581876 -0.11582700
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01337468
---------------------------------------------------
free energy TOTEN = -0.00655743 eV
energy without entropy = -0.00655743
----------------------------------------- Iteration 9( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258654; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258930; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.55078E-02 rms(broyden)= 0.55020E-02
rms(prec ) = 0.87744E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8868
3.6419 2.5496 1.8839 1.2985 0.9734 0.9734
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00863499
-V(xc)+E(xc) XCENC = 0.01551403
PAW double counting = 0.11548334 -0.11549160
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01337476
---------------------------------------------------
free energy TOTEN = -0.00650397 eV
energy without entropy = -0.00650397
----------------------------------------- Iteration 9( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258654; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258930; 1190.000000 electrons
Band energy:-0.912002E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.26801E-02 rms(broyden)= 0.26755E-02
rms(prec ) = 0.37854E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9855
4.0450 2.8350 2.2601 1.5401 1.1460 1.1460 0.9264
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00862578
-V(xc)+E(xc) XCENC = 0.01553113
PAW double counting = 0.11503528 -0.11504352
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01338506
---------------------------------------------------
free energy TOTEN = -0.00648794 eV
energy without entropy = -0.00648794
----------------------------------------- Iteration 9( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258654; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258929; 1190.000000 electrons
Band energy:-0.912002E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10066E-02 rms(broyden)= 0.10039E-02
rms(prec ) = 0.14196E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9708
4.5886 2.8271 2.4571 1.7799 1.2056 0.9996 0.9996 0.9090
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00862553
-V(xc)+E(xc) XCENC = 0.01553530
PAW double counting = 0.11490600 -0.11491422
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01338813
---------------------------------------------------
free energy TOTEN = -0.00648659 eV
energy without entropy = -0.00648659
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0912 0.00000
5 -0.1169 0.00000
6 -0.1449 0.00000
7 -0.0281 0.00000
8 -0.0455 0.00000
9 -0.2090 0.00000
10 -0.1016 0.00000
11 -0.1220 0.00000
12 0.0525 0.00000
13 0.0972 0.00000
14 0.0281 0.00000
15 -0.6769 0.00000
16 -0.0664 0.00000
17 0.0127 0.00000
18 -0.0215 0.00000
19 0.0824 0.00000
20 0.0751 0.00000
21 -0.0448 0.00000
22 -0.1573 0.00000
23 -0.0037 0.00000
24 -0.0248 0.00000
25 -0.4281 0.00000
26 0.0911 0.00000
27 0.1118 0.00000
28 -0.7063 0.00000
29 -0.0412 0.00000
30 0.2414 0.00000
31 -0.2401 0.00000
32 -0.8221 0.00000
33 -0.0193 0.00000
34 -0.0903 0.00000
35 -0.0303 0.00000
36 -0.3373 0.00000
37 -0.4201 0.00000
38 0.0228 0.00000
39 -0.2768 0.00000
40 -0.1409 0.00000
41 -0.1291 0.00000
42 -0.1389 0.00000
43 -0.1128 0.00000
44 0.4374 0.00000
45 -0.4543 0.00000
46 -0.3713 0.00000
47 -0.0508 0.00000
48 -0.1538 0.00000
49 -0.0333 0.00000
50 -0.1631 0.00000
51 -0.0799 0.00000
52 -0.2393 0.00000
53 -0.0166 0.00000
54 -0.0306 0.00000
55 -0.2415 0.00000
56 -0.1537 0.00000
57 0.0559 0.00000
58 -0.1382 0.00000
59 -0.4433 0.00000
60 0.0727 0.00000
61 -0.5882 0.00000
62 0.0889 0.00000
63 -0.3272 0.00000
64 -0.1721 0.00000
65 -0.0147 0.00000
66 0.2030 0.00000
67 -0.0225 0.00000
68 -0.2596 0.00000
69 -0.0219 0.00000
70 -0.0215 0.00000
71 0.0078 0.00000
72 0.0378 0.00000
73 -0.0357 0.00000
74 -0.0149 0.00000
75 0.0786 0.00000
76 0.0717 0.00000
77 0.0528 0.00000
78 0.1100 0.00000
79 0.2301 0.00000
80 -0.0001 0.00000
81 0.4792 0.00000
82 0.0611 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.1010 0.00000
90 -0.0866 0.00000
91 0.0489 0.00000
92 -0.2311 0.00000
93 0.0562 0.00000
94 0.0446 0.00000
95 0.0373 0.00000
96 -0.0057 0.00000
97 0.0195 0.00000
98 0.4500 0.00000
99 0.5911 0.00000
100 0.0216 0.00000
101 1.0842 0.00000
102 -0.1004 0.00000
103 0.1828 0.00000
104 0.0390 0.00000
105 -0.0749 0.00000
106 -0.0288 0.00000
107 -0.0627 0.00000
108 0.0805 0.00000
109 -0.0892 0.00000
110 -0.0837 0.00000
111 -0.0339 0.00000
112 -0.1080 0.00000
113 -0.0253 0.00000
114 -0.0110 0.00000
115 0.0868 0.00000
116 -0.1121 0.00000
117 0.1464 0.00000
118 -0.0118 0.00000
119 -0.0224 0.00000
120 0.0177 0.00000
121 -0.0658 0.00000
122 0.2286 0.00000
123 0.0583 0.00000
124 0.0185 0.00000
125 -0.1327 0.00000
126 0.6620 0.00000
127 0.1167 0.00000
128 -0.0520 0.00000
129 0.0625 0.00000
130 0.1154 0.00000
131 -0.0985 0.00000
132 0.1095 0.00000
133 0.0019 0.00000
134 -0.0740 0.00000
135 -0.0456 0.00000
136 0.3956 0.00000
137 0.0423 0.00000
138 0.8791 0.00000
139 -0.0217 0.00000
140 0.0113 0.00000
141 0.1686 0.00000
142 0.0662 0.00000
143 0.0088 0.00000
144 0.0056 0.00000
145 0.0143 0.00000
146 0.0677 0.00000
147 0.0784 0.00000
148 -0.1235 0.00000
149 -0.1027 0.00000
150 -0.1200 0.00000
151 -0.1366 0.00000
152 -0.1361 0.00000
153 -0.1064 0.00000
154 -0.0102 0.00000
155 0.0069 0.00000
156 -0.2890 0.00000
157 -0.0388 0.00000
158 0.2882 0.00000
159 -0.1406 0.00000
160 0.0020 0.00000
161 -0.0973 0.00000
162 -0.1218 0.00000
163 0.0413 0.00000
164 -0.6743 0.00000
165 -0.1676 0.00000
166 -0.0525 0.00000
167 -0.0488 0.00000
168 0.1283 0.00000
169 0.0126 0.00000
170 -0.2795 0.00000
171 -0.2064 0.00000
172 -0.0032 0.00000
173 -0.0663 0.00000
174 -0.0167 0.00000
175 -0.0577 0.00000
176 -0.1898 0.00000
177 -0.0123 0.00000
178 -0.1723 0.00000
179 -0.0761 0.00000
180 0.0306 0.00000
181 -0.0020 0.00000
182 -0.1516 0.00000
183 -0.0247 0.00000
184 0.0945 0.00000
185 0.0498 0.00000
186 -0.1515 0.00000
187 -0.1260 0.00000
188 -0.1717 0.00000
189 -0.0326 0.00000
190 -0.2519 0.00000
191 -0.0341 0.00000
192 -0.1028 0.00000
193 -0.0429 0.00000
194 -0.0324 0.00000
195 0.0168 0.00000
196 -0.0196 0.00000
197 0.0889 0.00000
198 -0.1470 0.00000
199 -0.0423 0.00000
200 -0.0331 0.00000
201 -0.0391 0.00000
202 -0.0135 0.00000
203 0.0300 0.00000
204 -0.0495 0.00000
205 -0.1627 0.00000
206 -0.1279 0.00000
207 -0.0306 0.00000
208 -0.0423 0.00000
209 -0.0057 0.00000
210 -0.3000 0.00000
211 -0.2153 0.00000
212 0.0574 0.00000
213 -0.0869 0.00000
214 -0.0151 0.00000
215 -0.0359 0.00000
216 0.0958 0.00000
217 0.0311 0.00000
218 -0.0076 0.00000
219 -0.0058 0.00000
220 -0.5800 0.00000
221 -0.6428 0.00000
222 -0.0497 0.00000
223 -0.0576 0.00000
224 -0.2284 0.00000
225 0.0691 0.00000
226 0.0790 0.00000
227 0.1084 0.00000
228 -0.0431 0.00000
229 0.0122 0.00000
230 0.0493 0.00000
231 -0.1985 0.00000
232 0.1012 0.00000
233 0.1244 0.00000
234 0.0992 0.00000
235 -0.0692 0.00000
236 -0.0383 0.00000
237 -0.0747 0.00000
238 -0.0620 0.00000
239 0.0021 0.00000
240 0.0653 0.00000
241 -0.1103 0.00000
242 -0.1108 0.00000
243 0.1419 0.00000
244 -0.0131 0.00000
245 0.0393 0.00000
246 -0.0209 0.00000
247 -0.0494 0.00000
248 -0.0489 0.00000
249 0.0088 0.00000
250 -0.0331 0.00000
251 0.0058 0.00000
252 0.1102 0.00000
253 0.0947 0.00000
254 -0.0461 0.00000
255 0.1790 0.00000
256 -0.0431 0.00000
257 0.0651 0.00000
258 -0.0345 0.00000
259 0.0236 0.00000
260 0.0266 0.00000
261 -0.0591 0.00000
262 0.0384 0.00000
263 -0.0229 0.00000
264 -0.0025 0.00000
265 0.1155 0.00000
266 0.0366 0.00000
267 0.0151 0.00000
268 -0.0143 0.00000
269 -0.0470 0.00000
270 -0.0492 0.00000
271 -0.0038 0.00000
272 -0.0475 0.00000
273 0.0385 0.00000
274 -0.1589 0.00000
275 0.0618 0.00000
276 -0.0487 0.00000
277 0.0287 0.00000
278 0.1370 0.00000
279 -0.1360 0.00000
280 0.0286 0.00000
281 0.0297 0.00000
282 -0.0684 0.00000
283 0.0325 0.00000
284 0.1127 0.00000
285 -0.0383 0.00000
286 -0.0284 0.00000
287 0.0257 0.00000
288 -0.0330 0.00000
289 -0.0062 0.00000
290 -0.0455 0.00000
291 0.0281 0.00000
292 0.1012 0.00000
293 0.0142 0.00000
294 -0.0827 0.00000
295 0.1381 0.00000
296 0.0034 0.00000
297 -0.0381 0.00000
298 0.0794 0.00000
299 0.0406 0.00000
300 -0.0528 0.00000
301 -0.0633 0.00000
302 0.0924 0.00000
303 -0.0039 0.00000
304 0.0013 0.00000
305 -0.0537 0.00000
306 0.0298 0.00000
307 -0.0712 0.00000
308 -0.0432 0.00000
309 0.0687 0.00000
310 0.0846 0.00000
311 0.0368 0.00000
312 0.0377 0.00000
313 -0.0251 0.00000
314 -0.0738 0.00000
315 -0.0275 0.00000
316 -0.0416 0.00000
317 -0.1447 0.00000
318 -0.0411 0.00000
319 -0.0324 0.00000
320 -0.0056 0.00000
321 0.1440 0.00000
322 0.1000 0.00000
323 -0.0023 0.00000
324 0.0145 0.00000
325 0.0500 0.00000
326 -0.0272 0.00000
327 0.0094 0.00000
328 0.0947 0.00000
329 -0.0281 0.00000
330 0.0146 0.00000
331 -0.0117 0.00000
332 0.2545 0.00000
333 -0.0506 0.00000
334 -0.0036 0.00000
335 0.0288 0.00000
336 0.0805 0.00000
337 0.0117 0.00000
338 -0.0003 0.00000
339 0.0853 0.00000
340 -0.0093 0.00000
341 -0.0318 0.00000
342 0.0763 0.00000
343 0.0421 0.00000
344 -0.0066 0.00000
345 0.0762 0.00000
346 -0.1225 0.00000
347 -0.0084 0.00000
348 -0.0157 0.00000
349 -0.0307 0.00000
350 -0.0741 0.00000
351 -0.0132 0.00000
352 -0.0292 0.00000
353 -0.0360 0.00000
354 0.0041 0.00000
355 0.0099 0.00000
356 -0.0771 0.00000
357 -0.0311 0.00000
358 -0.0048 0.00000
359 -0.0480 0.00000
360 0.0164 0.00000
361 -0.0737 0.00000
362 0.0169 0.00000
363 -0.0648 0.00000
364 0.0302 0.00000
365 -0.0025 0.00000
366 0.0404 0.00000
367 -0.0456 0.00000
368 -0.0279 0.00000
369 -0.0173 0.00000
370 -0.0584 0.00000
371 0.0007 0.00000
372 -0.0005 0.00000
373 -0.0220 0.00000
374 0.0051 0.00000
375 -0.0615 0.00000
376 -0.0076 0.00000
377 -0.0496 0.00000
378 0.0070 0.00000
379 0.0681 0.00000
380 0.0220 0.00000
381 0.0106 0.00000
382 0.0468 0.00000
383 -0.0115 0.00000
384 -0.0484 0.00000
385 -0.0559 0.00000
386 -0.0145 0.00000
387 -0.0994 0.00000
388 -0.0068 0.00000
389 -0.0117 0.00000
390 -0.0193 0.00000
391 -0.0641 0.00000
392 0.0165 0.00000
393 -0.0655 0.00000
394 -0.0822 0.00000
395 -0.0973 0.00000
396 -0.0388 0.00000
397 -0.1108 0.00000
398 0.0409 0.00000
399 0.0185 0.00000
400 -0.0040 0.00000
401 -0.2735 0.00000
402 0.0038 0.00000
403 -0.0352 0.00000
404 -0.0223 0.00000
405 -0.0292 0.00000
406 -0.0461 0.00000
407 -0.0269 0.00000
408 -0.0964 0.00000
409 0.0239 0.00000
410 -0.0054 0.00000
411 -0.0222 0.00000
412 -0.0592 0.00000
413 0.0473 0.00000
414 -0.0504 0.00000
415 -0.0239 0.00000
416 0.0217 0.00000
417 0.0637 0.00000
418 -0.0386 0.00000
419 -0.0267 0.00000
420 0.0003 0.00000
421 -0.0165 0.00000
422 -0.0423 0.00000
423 -0.0458 0.00000
424 -0.0177 0.00000
425 -0.0131 0.00000
426 -0.0429 0.00000
427 0.0047 0.00000
428 0.0046 0.00000
429 0.0055 0.00000
430 -0.0296 0.00000
431 -0.0528 0.00000
432 -0.0168 0.00000
433 -0.0458 0.00000
434 0.0121 0.00000
435 -0.0487 0.00000
436 -0.1534 0.00000
437 -0.1689 0.00000
438 0.0051 0.00000
439 -0.0331 0.00000
440 0.0170 0.00000
441 -0.0485 0.00000
442 -0.0376 0.00000
443 -0.1102 0.00000
444 -0.0462 0.00000
445 -0.1317 0.00000
446 -0.0360 0.00000
447 -0.0462 0.00000
448 -0.0061 0.00000
449 -0.0068 0.00000
450 0.0484 0.00000
451 -0.0004 0.00000
452 -0.0109 0.00000
453 0.0283 0.00000
454 0.0878 0.00000
455 -0.0906 0.00000
456 -0.0395 0.00000
457 -0.0256 0.00000
458 -0.1091 0.00000
459 -0.0446 0.00000
460 -0.1036 0.00000
461 -0.0379 0.00000
462 -0.0744 0.00000
463 -0.1283 0.00000
464 -0.0233 0.00000
465 -0.1055 0.00000
466 -0.0544 0.00000
467 -0.0171 0.00000
468 -0.0102 0.00000
469 -0.0402 0.00000
470 -0.0098 0.00000
471 -0.0517 0.00000
472 -0.0709 0.00000
473 -0.0282 0.00000
474 -0.1538 0.00000
475 -0.0051 0.00000
476 0.0210 0.00000
477 -0.0834 0.00000
478 -0.0508 0.00000
479 -0.2257 0.00000
480 0.0282 0.00000
481 -0.0483 0.00000
482 -0.0586 0.00000
483 -0.0458 0.00000
484 -0.0168 0.00000
485 -0.2097 0.00000
486 -0.0814 0.00000
487 -0.1283 0.00000
488 -0.0288 0.00000
489 -0.0394 0.00000
490 -0.0183 0.00000
491 0.0461 0.00000
492 -0.1513 0.00000
493 0.0015 0.00000
494 -0.0171 0.00000
495 -0.0877 0.00000
496 -0.0352 0.00000
497 -0.0603 0.00000
498 -0.0894 0.00000
499 -0.0447 0.00000
500 -0.0175 0.00000
501 -0.0200 0.00000
502 -0.0303 0.00000
503 -0.0300 0.00000
504 -0.0987 0.00000
505 -0.0560 0.00000
506 -0.0233 0.00000
507 0.0236 0.00000
508 -0.0437 0.00000
509 -0.0297 0.00000
510 -0.0481 0.00000
511 0.0676 0.00000
512 -0.0725 0.00000
513 -0.0903 0.00000
514 0.0149 0.00000
515 -0.0539 0.00000
516 0.0252 0.00000
517 -0.0431 0.00000
518 0.0857 0.00000
519 0.0014 0.00000
520 0.0129 0.00000
521 0.0101 0.00000
522 -0.0069 0.00000
523 -0.0893 0.00000
524 -0.0070 0.00000
525 -0.0189 0.00000
526 0.0138 0.00000
527 0.0443 0.00000
528 0.0166 0.00000
529 0.0382 0.00000
530 -0.0031 0.00000
531 -0.0105 0.00000
532 0.1794 0.00000
533 0.1146 0.00000
534 0.0392 0.00000
535 -0.0268 0.00000
536 0.0434 0.00000
537 0.2497 0.00000
538 0.0137 0.00000
539 0.1461 0.00000
540 -0.0135 0.00000
541 -0.0270 0.00000
542 0.0286 0.00000
543 -0.0335 0.00000
544 0.0636 0.00000
545 0.0405 0.00000
546 -0.0179 0.00000
547 0.0308 0.00000
548 0.0140 0.00000
549 -0.0200 0.00000
550 -0.1105 0.00000
551 0.0099 0.00000
552 0.0202 0.00000
553 -0.0484 0.00000
554 0.0154 0.00000
555 0.0090 0.00000
556 0.1074 0.00000
557 0.0002 0.00000
558 0.0080 0.00000
559 0.0574 0.00000
560 0.0260 0.00000
561 -0.0130 0.00000
562 -0.0335 0.00000
563 -0.0552 0.00000
564 0.0315 0.00000
565 0.0732 0.00000
566 0.0380 0.00000
567 -0.0252 0.00000
568 0.0536 0.00000
569 0.0499 0.00000
570 0.0362 0.00000
571 0.0044 0.00000
572 -0.0186 0.00000
573 0.0212 0.00000
574 0.0613 0.00000
575 -0.0003 0.00000
576 0.1337 0.00000
577 0.0857 0.00000
578 0.0278 0.00000
579 0.0520 0.00000
580 0.3260 0.00000
581 0.0801 0.00000
582 0.0253 0.00000
583 0.1290 0.00000
584 0.3353 0.00000
585 0.2203 0.00000
586 0.0728 0.00000
587 -0.0003 0.00000
588 0.0294 0.00000
589 -0.0241 0.00000
590 0.0444 0.00000
591 0.0024 0.00000
592 0.0499 0.00000
593 0.0406 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1368 0.00000
597 -0.1482 0.00000
598 -0.0212 0.00000
599 -0.0105 0.00000
600 -0.0462 0.00000
601 -0.0255 0.00000
602 -0.0305 0.00000
603 -0.0754 0.00000
604 0.0079 0.00000
605 -0.0817 0.00000
606 -0.0602 0.00000
607 0.0531 0.00000
608 -0.0003 0.00000
609 -0.1255 0.00000
610 -0.0089 0.00000
611 -0.0532 0.00000
612 0.0194 0.00000
613 -0.0763 0.00000
614 0.0184 0.00000
615 0.0130 0.00000
616 0.0089 0.00000
617 0.0090 0.00000
618 0.0355 0.00000
619 -0.0039 0.00000
620 0.1104 0.00000
621 -0.0007 0.00000
622 -0.0184 0.00000
623 0.0000 0.00000
624 -0.0047 0.00000
625 0.0203 0.00000
626 0.0000 0.00000
627 0.0308 0.00000
628 -0.0055 0.00000
629 -0.0384 0.00000
630 -0.0087 0.00000
631 -0.0415 0.00000
632 -0.0637 0.00000
633 -0.1144 0.00000
634 0.0231 0.00000
635 -0.0438 0.00000
636 -0.0033 0.00000
637 -0.0594 0.00000
638 0.0530 0.00000
639 -0.0124 0.00000
640 0.0633 0.00000
641 -0.0277 0.00000
642 0.0614 0.00000
643 -0.0250 0.00000
644 -0.0237 0.00000
645 0.0040 0.00000
646 -0.0003 0.00000
647 -0.0261 0.00000
648 -0.0303 0.00000
649 0.0030 0.00000
650 -0.0378 0.00000
651 -0.0104 0.00000
652 0.0290 0.00000
653 -0.0094 0.00000
654 0.0317 0.00000
655 -0.0331 0.00000
656 -0.0154 0.00000
657 -0.0029 0.00000
658 0.0227 0.00000
659 0.0028 0.00000
660 -0.0641 0.00000
661 0.0166 0.00000
662 -0.0060 0.00000
663 0.0251 0.00000
664 0.0080 0.00000
665 -0.0430 0.00000
666 0.0547 0.00000
667 0.0077 0.00000
668 -0.0117 0.00000
669 -0.0391 0.00000
670 0.0561 0.00000
671 -0.0187 0.00000
672 0.0559 0.00000
673 0.0403 0.00000
674 -0.0453 0.00000
675 -0.0248 0.00000
676 -0.0037 0.00000
677 -0.0092 0.00000
678 -0.0176 0.00000
679 0.0063 0.00000
680 -0.0058 0.00000
681 0.0520 0.00000
682 0.0034 0.00000
683 -0.0024 0.00000
684 -0.0178 0.00000
685 0.0490 0.00000
686 0.0075 0.00000
687 0.0576 0.00000
688 0.0297 0.00000
689 0.0016 0.00000
690 -0.0394 0.00000
691 0.0274 0.00000
692 0.0017 0.00000
693 -0.0167 0.00000
694 -0.0281 0.00000
695 0.0401 0.00000
696 0.0115 0.00000
697 0.0602 0.00000
698 -0.0380 0.00000
699 0.0006 0.00000
700 0.0229 0.00000
701 0.0205 0.00000
702 -0.0113 0.00000
703 -0.0307 0.00000
704 -0.0093 0.00000
705 0.0349 0.00000
706 -0.0276 0.00000
707 0.0455 0.00000
708 0.0619 0.00000
709 0.0286 0.00000
710 0.0579 0.00000
711 -0.0021 0.00000
712 0.0030 0.00000
713 -0.0263 0.00000
714 -0.0423 0.00000
715 0.0413 0.00000
716 0.0392 0.00000
717 0.0015 0.00000
718 -0.0023 0.00000
719 0.0143 0.00000
720 0.0725 0.00000
721 0.0093 0.00000
722 0.0121 0.00000
723 0.0188 0.00000
724 0.0075 0.00000
725 0.0117 0.00000
726 0.1686 0.00000
727 0.0165 0.00000
728 -0.0636 0.00000
729 -0.0168 0.00000
730 0.0287 0.00000
731 -0.0199 0.00000
732 -0.0143 0.00000
733 -0.0301 0.00000
734 -0.0379 0.00000
735 -0.0495 0.00000
736 -0.0262 0.00000
737 0.0589 0.00000
738 0.0573 0.00000
739 -0.0152 0.00000
740 -0.0130 0.00000
741 0.0818 0.00000
742 0.0076 0.00000
743 -0.0231 0.00000
744 -0.0581 0.00000
745 0.0391 0.00000
746 -0.0279 0.00000
747 -0.0305 0.00000
748 -0.0270 0.00000
749 0.0109 0.00000
750 -0.0021 0.00000
751 0.0325 0.00000
752 0.1052 0.00000
753 0.0635 0.00000
754 0.0272 0.00000
755 0.0209 0.00000
756 -0.0083 0.00000
757 0.1058 0.00000
758 0.0401 0.00000
759 -0.0160 0.00000
760 0.0246 0.00000
761 0.0224 0.00000
762 -0.0161 0.00000
763 -0.0167 0.00000
764 0.0097 0.00000
765 -0.0080 0.00000
766 0.0106 0.00000
767 -0.0042 0.00000
768 0.0116 0.00000
769 0.0263 0.00000
770 -0.0045 0.00000
771 -0.0075 0.00000
772 0.0279 0.00000
773 0.0607 0.00000
774 -0.0045 0.00000
775 0.0178 0.00000
776 0.0903 0.00000
777 0.0784 0.00000
778 -0.0001 0.00000
779 0.0236 0.00000
780 0.0008 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0900 0.00000
5 -0.1186 0.00000
6 -0.1448 0.00000
7 -0.0270 0.00000
8 -0.0454 0.00000
9 -0.2116 0.00000
10 -0.0995 0.00000
11 -0.1231 0.00000
12 0.0528 0.00000
13 0.0971 0.00000
14 0.0282 0.00000
15 -0.6738 0.00000
16 -0.0674 0.00000
17 0.0151 0.00000
18 -0.0235 0.00000
19 0.0866 0.00000
20 0.0755 0.00000
21 -0.0449 0.00000
22 -0.1404 0.00000
23 -0.0401 0.00000
24 -0.1279 0.00000
25 -0.3911 0.00000
26 0.2088 0.00000
27 0.0310 0.00000
28 -0.4679 0.00000
29 -0.0357 0.00000
30 0.1999 0.00000
31 -0.4146 0.00000
32 -0.8277 0.00000
33 -0.0184 0.00000
34 -0.0912 0.00000
35 -0.0305 0.00000
36 -0.3317 0.00000
37 -0.4094 0.00000
38 0.0219 0.00000
39 -0.2596 0.00000
40 -0.1404 0.00000
41 -0.0963 0.00000
42 -0.0884 0.00000
43 -0.1092 0.00000
44 0.4995 0.00000
45 -0.6689 0.00000
46 -0.3135 0.00000
47 -0.0684 0.00000
48 -0.1709 0.00000
49 -0.0545 0.00000
50 -0.1106 0.00000
51 -0.0806 0.00000
52 -0.2152 0.00000
53 -0.0370 0.00000
54 -0.0826 0.00000
55 -0.1825 0.00000
56 -0.1573 0.00000
57 0.0533 0.00000
58 -0.1516 0.00000
59 -0.4685 0.00000
60 0.0070 0.00000
61 -0.3890 0.00000
62 -0.1235 0.00000
63 -0.1685 0.00000
64 -0.1047 0.00000
65 0.0102 0.00000
66 0.1436 0.00000
67 -0.2713 0.00000
68 -0.0665 0.00000
69 -0.0549 0.00000
70 -0.0103 0.00000
71 0.0044 0.00000
72 0.0378 0.00000
73 -0.0303 0.00000
74 -0.0175 0.00000
75 0.0974 0.00000
76 0.0478 0.00000
77 0.0531 0.00000
78 0.1022 0.00000
79 0.2414 0.00000
80 0.0001 0.00000
81 0.4791 0.00000
82 0.0612 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.0983 0.00000
90 -0.0908 0.00000
91 0.0167 0.00000
92 -0.1968 0.00000
93 0.0421 0.00000
94 0.0479 0.00000
95 -0.0154 0.00000
96 0.1184 0.00000
97 0.0203 0.00000
98 0.6755 0.00000
99 0.3348 0.00000
100 0.0872 0.00000
101 0.9321 0.00000
102 -0.0073 0.00000
103 0.2198 0.00000
104 -0.0368 0.00000
105 -0.0898 0.00000
106 -0.0344 0.00000
107 -0.0545 0.00000
108 0.0650 0.00000
109 -0.0544 0.00000
110 -0.0710 0.00000
111 -0.0451 0.00000
112 -0.1448 0.00000
113 -0.0119 0.00000
114 0.0533 0.00000
115 0.0144 0.00000
116 -0.0875 0.00000
117 0.1545 0.00000
118 -0.0213 0.00000
119 -0.0312 0.00000
120 0.0372 0.00000
121 -0.0000 0.00000
122 0.1567 0.00000
123 0.0033 0.00000
124 0.0660 0.00000
125 -0.1315 0.00000
126 0.6492 0.00000
127 0.0866 0.00000
128 -0.0552 0.00000
129 0.0573 0.00000
130 0.2441 0.00000
131 -0.1067 0.00000
132 0.0767 0.00000
133 -0.0012 0.00000
134 -0.1156 0.00000
135 -0.0449 0.00000
136 0.3904 0.00000
137 0.0375 0.00000
138 0.8996 0.00000
139 -0.0125 0.00000
140 -0.0025 0.00000
141 0.1705 0.00000
142 0.0696 0.00000
143 0.0079 0.00000
144 0.0056 0.00000
145 0.0169 0.00000
146 0.0643 0.00000
147 0.0791 0.00000
148 -0.1129 0.00000
149 -0.1151 0.00000
150 -0.1173 0.00000
151 -0.1195 0.00000
152 -0.2399 0.00000
153 -0.0494 0.00000
154 -0.0043 0.00000
155 0.0156 0.00000
156 -0.0641 0.00000
157 -0.1856 0.00000
158 -0.1310 0.00000
159 0.0180 0.00000
160 0.1278 0.00000
161 -0.0361 0.00000
162 -0.0074 0.00000
163 -0.1108 0.00000
164 -0.6947 0.00000
165 -0.0385 0.00000
166 -0.1412 0.00000
167 -0.1854 0.00000
168 0.0859 0.00000
169 -0.0155 0.00000
170 -0.0193 0.00000
171 -0.1402 0.00000
172 -0.0791 0.00000
173 0.0173 0.00000
174 -0.0932 0.00000
175 -0.1190 0.00000
176 -0.0444 0.00000
177 -0.2464 0.00000
178 -0.0051 0.00000
179 -0.1436 0.00000
180 0.1384 0.00000
181 -0.0607 0.00000
182 -0.0665 0.00000
183 -0.0765 0.00000
184 0.0371 0.00000
185 0.1020 0.00000
186 0.0099 0.00000
187 -0.1793 0.00000
188 -0.4295 0.00000
189 -0.0469 0.00000
190 -0.0953 0.00000
191 -0.0682 0.00000
192 -0.0855 0.00000
193 -0.0046 0.00000
194 -0.1001 0.00000
195 0.0303 0.00000
196 -0.0303 0.00000
197 -0.1106 0.00000
198 0.0203 0.00000
199 -0.0244 0.00000
200 -0.0353 0.00000
201 0.0215 0.00000
202 -0.0811 0.00000
203 -0.0122 0.00000
204 -0.1103 0.00000
205 -0.1242 0.00000
206 -0.0596 0.00000
207 0.0210 0.00000
208 -0.0350 0.00000
209 -0.0726 0.00000
210 -0.2947 0.00000
211 -0.1028 0.00000
212 -0.0842 0.00000
213 0.0069 0.00000
214 -0.0571 0.00000
215 -0.0589 0.00000
216 -0.0146 0.00000
217 0.1760 0.00000
218 -0.0100 0.00000
219 -0.7238 0.00000
220 -0.0976 0.00000
221 -0.4060 0.00000
222 -0.0423 0.00000
223 -0.0796 0.00000
224 -0.2046 0.00000
225 0.0988 0.00000
226 0.0547 0.00000
227 0.0961 0.00000
228 -0.0348 0.00000
229 0.0103 0.00000
230 0.0330 0.00000
231 -0.1992 0.00000
232 0.1224 0.00000
233 0.1054 0.00000
234 0.0946 0.00000
235 -0.0770 0.00000
236 -0.0256 0.00000
237 -0.0486 0.00000
238 -0.1111 0.00000
239 -0.0935 0.00000
240 0.0639 0.00000
241 0.0101 0.00000
242 0.0243 0.00000
243 0.0463 0.00000
244 0.0305 0.00000
245 -0.0293 0.00000
246 -0.0041 0.00000
247 -0.0423 0.00000
248 -0.0735 0.00000
249 -0.0089 0.00000
250 -0.0547 0.00000
251 0.0254 0.00000
252 0.0165 0.00000
253 0.1455 0.00000
254 0.1459 0.00000
255 -0.0030 0.00000
256 0.0043 0.00000
257 -0.0441 0.00000
258 -0.0391 0.00000
259 0.0772 0.00000
260 0.0238 0.00000
261 -0.0545 0.00000
262 0.0231 0.00000
263 -0.0220 0.00000
264 0.1437 0.00000
265 0.0086 0.00000
266 0.0080 0.00000
267 -0.0019 0.00000
268 -0.0250 0.00000
269 -0.0537 0.00000
270 -0.0671 0.00000
271 0.0188 0.00000
272 -0.0705 0.00000
273 -0.0877 0.00000
274 -0.0800 0.00000
275 0.0782 0.00000
276 0.1577 0.00000
277 0.0089 0.00000
278 0.0308 0.00000
279 0.1047 0.00000
280 -0.0346 0.00000
281 -0.0534 0.00000
282 -0.0104 0.00000
283 0.0315 0.00000
284 0.0622 0.00000
285 -0.1274 0.00000
286 0.0372 0.00000
287 -0.0139 0.00000
288 -0.0276 0.00000
289 0.0727 0.00000
290 -0.0053 0.00000
291 0.0650 0.00000
292 0.0800 0.00000
293 -0.0454 0.00000
294 0.0090 0.00000
295 0.0527 0.00000
296 -0.0049 0.00000
297 0.0533 0.00000
298 -0.0148 0.00000
299 -0.1161 0.00000
300 0.0512 0.00000
301 0.0441 0.00000
302 -0.0647 0.00000
303 -0.0017 0.00000
304 -0.0077 0.00000
305 0.1023 0.00000
306 -0.0048 0.00000
307 -0.0127 0.00000
308 -0.0189 0.00000
309 -0.0005 0.00000
310 0.0594 0.00000
311 -0.1517 0.00000
312 -0.1082 0.00000
313 -0.0179 0.00000
314 0.0071 0.00000
315 -0.0655 0.00000
316 -0.0470 0.00000
317 0.0207 0.00000
318 0.0543 0.00000
319 0.0085 0.00000
320 0.0273 0.00000
321 0.0296 0.00000
322 0.0237 0.00000
323 0.0531 0.00000
324 0.0706 0.00000
325 -0.0189 0.00000
326 -0.0332 0.00000
327 0.1038 0.00000
328 0.1255 0.00000
329 -0.0048 0.00000
330 0.0056 0.00000
331 -0.0447 0.00000
332 0.0043 0.00000
333 0.0398 0.00000
334 0.0246 0.00000
335 0.1096 0.00000
336 -0.0037 0.00000
337 0.0400 0.00000
338 0.0242 0.00000
339 0.1436 0.00000
340 -0.0194 0.00000
341 0.0710 0.00000
342 0.0497 0.00000
343 -0.0330 0.00000
344 -0.0253 0.00000
345 -0.0201 0.00000
346 -0.0598 0.00000
347 0.0456 0.00000
348 -0.0966 0.00000
349 -0.0505 0.00000
350 -0.0375 0.00000
351 -0.0143 0.00000
352 0.0099 0.00000
353 -0.0366 0.00000
354 -0.0168 0.00000
355 -0.0053 0.00000
356 -0.0534 0.00000
357 -0.0339 0.00000
358 -0.0228 0.00000
359 -0.0093 0.00000
360 -0.0016 0.00000
361 -0.0215 0.00000
362 -0.0053 0.00000
363 -0.0379 0.00000
364 -0.0554 0.00000
365 -0.0211 0.00000
366 0.0203 0.00000
367 -0.0657 0.00000
368 -0.0029 0.00000
369 -0.0477 0.00000
370 -0.0590 0.00000
371 0.0516 0.00000
372 0.0071 0.00000
373 0.0324 0.00000
374 -0.0126 0.00000
375 -0.0563 0.00000
376 0.0223 0.00000
377 -0.0220 0.00000
378 -0.0467 0.00000
379 -0.0019 0.00000
380 0.0075 0.00000
381 0.0257 0.00000
382 0.0191 0.00000
383 -0.0351 0.00000
384 0.0771 0.00000
385 0.0238 0.00000
386 -0.0622 0.00000
387 0.0013 0.00000
388 -0.0064 0.00000
389 -0.0393 0.00000
390 -0.0120 0.00000
391 -0.1108 0.00000
392 -0.0679 0.00000
393 -0.0605 0.00000
394 -0.0714 0.00000
395 -0.0570 0.00000
396 0.0072 0.00000
397 -0.0383 0.00000
398 -0.1192 0.00000
399 0.0028 0.00000
400 -0.0273 0.00000
401 -0.0825 0.00000
402 -0.0252 0.00000
403 -0.0815 0.00000
404 -0.0927 0.00000
405 -0.0110 0.00000
406 -0.0355 0.00000
407 -0.0042 0.00000
408 0.0423 0.00000
409 -0.0846 0.00000
410 0.0159 0.00000
411 -0.0542 0.00000
412 -0.0422 0.00000
413 -0.0154 0.00000
414 -0.0361 0.00000
415 -0.0271 0.00000
416 -0.0092 0.00000
417 -0.0674 0.00000
418 0.0893 0.00000
419 -0.0292 0.00000
420 -0.0203 0.00000
421 -0.0126 0.00000
422 -0.0133 0.00000
423 0.0013 0.00000
424 0.0303 0.00000
425 -0.0911 0.00000
426 -0.0872 0.00000
427 -0.0651 0.00000
428 -0.0133 0.00000
429 -0.0075 0.00000
430 0.0138 0.00000
431 -0.0358 0.00000
432 0.0043 0.00000
433 -0.0228 0.00000
434 -0.0824 0.00000
435 -0.0708 0.00000
436 -0.0091 0.00000
437 -0.2550 0.00000
438 -0.0397 0.00000
439 -0.0506 0.00000
440 -0.1123 0.00000
441 -0.1137 0.00000
442 -0.0426 0.00000
443 -0.0722 0.00000
444 0.0194 0.00000
445 -0.0374 0.00000
446 -0.0322 0.00000
447 -0.0291 0.00000
448 -0.0531 0.00000
449 0.1182 0.00000
450 -0.0037 0.00000
451 -0.0200 0.00000
452 0.0060 0.00000
453 0.0042 0.00000
454 -0.1012 0.00000
455 -0.0267 0.00000
456 -0.0366 0.00000
457 -0.0138 0.00000
458 -0.0233 0.00000
459 -0.0111 0.00000
460 -0.0417 0.00000
461 -0.0552 0.00000
462 -0.0430 0.00000
463 -0.0806 0.00000
464 0.0079 0.00000
465 0.0121 0.00000
466 -0.0114 0.00000
467 -0.1113 0.00000
468 -0.0491 0.00000
469 -0.0116 0.00000
470 -0.0067 0.00000
471 -0.0542 0.00000
472 -0.1212 0.00000
473 -0.0845 0.00000
474 -0.0375 0.00000
475 -0.0695 0.00000
476 -0.0763 0.00000
477 -0.0636 0.00000
478 0.0351 0.00000
479 0.0465 0.00000
480 -0.0932 0.00000
481 -0.1192 0.00000
482 -0.0760 0.00000
483 -0.0040 0.00000
484 0.0078 0.00000
485 -0.0241 0.00000
486 -0.2674 0.00000
487 -0.0772 0.00000
488 -0.1123 0.00000
489 -0.0959 0.00000
490 -0.0495 0.00000
491 -0.0167 0.00000
492 -0.1024 0.00000
493 -0.0522 0.00000
494 -0.1632 0.00000
495 -0.0048 0.00000
496 0.0309 0.00000
497 -0.0603 0.00000
498 -0.0357 0.00000
499 -0.0546 0.00000
500 0.0379 0.00000
501 -0.0348 0.00000
502 -0.0309 0.00000
503 -0.0802 0.00000
504 -0.0589 0.00000
505 -0.0744 0.00000
506 -0.0235 0.00000
507 -0.0606 0.00000
508 -0.0475 0.00000
509 -0.0292 0.00000
510 -0.0107 0.00000
511 -0.0876 0.00000
512 -0.0008 0.00000
513 0.0046 0.00000
514 -0.0604 0.00000
515 -0.0207 0.00000
516 0.0523 0.00000
517 -0.0683 0.00000
518 0.0813 0.00000
519 -0.1109 0.00000
520 0.0998 0.00000
521 -0.0190 0.00000
522 -0.0025 0.00000
523 -0.0728 0.00000
524 0.0363 0.00000
525 -0.0412 0.00000
526 0.0066 0.00000
527 0.0030 0.00000
528 0.0106 0.00000
529 -0.0296 0.00000
530 0.0180 0.00000
531 0.0823 0.00000
532 0.0559 0.00000
533 0.1240 0.00000
534 0.2550 0.00000
535 0.0692 0.00000
536 0.1647 0.00000
537 -0.0284 0.00000
538 -0.0250 0.00000
539 0.0891 0.00000
540 0.0428 0.00000
541 0.0148 0.00000
542 -0.0148 0.00000
543 0.0219 0.00000
544 -0.0014 0.00000
545 -0.0040 0.00000
546 -0.0431 0.00000
547 0.0226 0.00000
548 0.0710 0.00000
549 0.0976 0.00000
550 0.0356 0.00000
551 -0.1663 0.00000
552 -0.0262 0.00000
553 -0.0036 0.00000
554 0.0445 0.00000
555 0.0044 0.00000
556 0.0725 0.00000
557 -0.0048 0.00000
558 -0.0133 0.00000
559 0.0201 0.00000
560 0.0186 0.00000
561 0.0026 0.00000
562 0.0170 0.00000
563 0.0708 0.00000
564 -0.0679 0.00000
565 0.0560 0.00000
566 -0.0767 0.00000
567 0.1400 0.00000
568 -0.0088 0.00000
569 0.0190 0.00000
570 0.0205 0.00000
571 -0.0132 0.00000
572 0.0079 0.00000
573 0.0285 0.00000
574 0.0074 0.00000
575 0.1484 0.00000
576 0.0454 0.00000
577 0.0973 0.00000
578 0.0210 0.00000
579 0.1432 0.00000
580 0.2447 0.00000
581 0.1348 0.00000
582 0.1101 0.00000
583 0.0144 0.00000
584 0.5180 0.00000
585 0.0532 0.00000
586 0.0423 0.00000
587 0.0012 0.00000
588 0.0271 0.00000
589 -0.0241 0.00000
590 0.0624 0.00000
591 -0.0157 0.00000
592 0.0514 0.00000
593 0.0395 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1368 0.00000
597 -0.1483 0.00000
598 -0.0294 0.00000
599 -0.0004 0.00000
600 -0.0260 0.00000
601 -0.0707 0.00000
602 -0.0449 0.00000
603 -0.0625 0.00000
604 0.0155 0.00000
605 -0.0034 0.00000
606 -0.0325 0.00000
607 0.0212 0.00000
608 -0.0240 0.00000
609 -0.0526 0.00000
610 0.0433 0.00000
611 -0.0884 0.00000
612 -0.0294 0.00000
613 -0.0114 0.00000
614 -0.0505 0.00000
615 -0.0129 0.00000
616 -0.0636 0.00000
617 -0.0062 0.00000
618 0.0716 0.00000
619 0.0120 0.00000
620 -0.0321 0.00000
621 -0.0483 0.00000
622 0.0063 0.00000
623 -0.0135 0.00000
624 0.0819 0.00000
625 -0.0186 0.00000
626 -0.0242 0.00000
627 0.0365 0.00000
628 -0.0253 0.00000
629 -0.0136 0.00000
630 -0.0339 0.00000
631 -0.0182 0.00000
632 -0.0242 0.00000
633 -0.0243 0.00000
634 0.0014 0.00000
635 -0.0352 0.00000
636 0.0498 0.00000
637 0.0253 0.00000
638 0.0015 0.00000
639 0.0108 0.00000
640 -0.0212 0.00000
641 0.0648 0.00000
642 -0.0880 0.00000
643 -0.0551 0.00000
644 0.0263 0.00000
645 0.0087 0.00000
646 0.0064 0.00000
647 -0.0203 0.00000
648 -0.0015 0.00000
649 -0.0385 0.00000
650 -0.0185 0.00000
651 0.0059 0.00000
652 -0.0041 0.00000
653 -0.0189 0.00000
654 -0.0023 0.00000
655 -0.0145 0.00000
656 0.0643 0.00000
657 -0.0231 0.00000
658 0.0160 0.00000
659 -0.0128 0.00000
660 0.0097 0.00000
661 -0.0676 0.00000
662 -0.0043 0.00000
663 -0.0323 0.00000
664 0.0100 0.00000
665 0.0239 0.00000
666 -0.0085 0.00000
667 0.0094 0.00000
668 -0.0053 0.00000
669 0.0147 0.00000
670 0.0256 0.00000
671 0.0265 0.00000
672 -0.0060 0.00000
673 0.0277 0.00000
674 0.0118 0.00000
675 -0.0029 0.00000
676 -0.0219 0.00000
677 0.0108 0.00000
678 -0.0164 0.00000
679 0.0034 0.00000
680 0.0031 0.00000
681 0.0101 0.00000
682 -0.0308 0.00000
683 -0.0456 0.00000
684 0.0381 0.00000
685 0.0030 0.00000
686 0.0127 0.00000
687 -0.0023 0.00000
688 -0.0156 0.00000
689 0.0498 0.00000
690 0.0163 0.00000
691 0.0137 0.00000
692 0.0240 0.00000
693 0.1126 0.00000
694 0.0290 0.00000
695 0.0489 0.00000
696 -0.0114 0.00000
697 0.0146 0.00000
698 0.0408 0.00000
699 0.0194 0.00000
700 -0.0023 0.00000
701 0.0478 0.00000
702 -0.0149 0.00000
703 0.0161 0.00000
704 0.0102 0.00000
705 0.0740 0.00000
706 0.0638 0.00000
707 0.0416 0.00000
708 0.0084 0.00000
709 -0.0347 0.00000
710 -0.0426 0.00000
711 0.0304 0.00000
712 -0.0400 0.00000
713 0.0226 0.00000
714 -0.0042 0.00000
715 0.0058 0.00000
716 0.0461 0.00000
717 -0.0285 0.00000
718 -0.0266 0.00000
719 0.0083 0.00000
720 0.0560 0.00000
721 -0.0225 0.00000
722 -0.0168 0.00000
723 -0.0253 0.00000
724 0.0387 0.00000
725 0.0194 0.00000
726 -0.0173 0.00000
727 0.0409 0.00000
728 0.0923 0.00000
729 0.0014 0.00000
730 -0.0772 0.00000
731 0.0117 0.00000
732 0.0596 0.00000
733 -0.0328 0.00000
734 -0.0425 0.00000
735 0.0229 0.00000
736 -0.0326 0.00000
737 0.0360 0.00000
738 -0.0141 0.00000
739 0.0482 0.00000
740 -0.0783 0.00000
741 0.0223 0.00000
742 -0.0259 0.00000
743 0.0061 0.00000
744 -0.0159 0.00000
745 -0.0145 0.00000
746 0.0032 0.00000
747 -0.0184 0.00000
748 -0.0005 0.00000
749 -0.0022 0.00000
750 -0.0023 0.00000
751 0.0251 0.00000
752 0.0777 0.00000
753 0.0065 0.00000
754 0.0230 0.00000
755 0.0313 0.00000
756 -0.0129 0.00000
757 0.0064 0.00000
758 0.0327 0.00000
759 0.0155 0.00000
760 0.0069 0.00000
761 0.0051 0.00000
762 0.0558 0.00000
763 0.0162 0.00000
764 -0.0091 0.00000
765 -0.0028 0.00000
766 0.0887 0.00000
767 0.0418 0.00000
768 0.0836 0.00000
769 -0.0194 0.00000
770 -0.0272 0.00000
771 0.0244 0.00000
772 -0.0221 0.00000
773 0.0264 0.00000
774 0.0496 0.00000
775 0.0208 0.00000
776 0.0219 0.00000
777 0.0908 0.00000
778 0.0302 0.00000
779 -0.0100 0.00000
780 -0.0137 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0912 0.00000
5 -0.1168 0.00000
6 -0.1461 0.00000
7 -0.0270 0.00000
8 -0.0453 0.00000
9 -0.2097 0.00000
10 -0.1008 0.00000
11 -0.1221 0.00000
12 0.0525 0.00000
13 0.0973 0.00000
14 0.0280 0.00000
15 -0.6770 0.00000
16 -0.0876 0.00000
17 0.0215 0.00000
18 -0.0051 0.00000
19 0.0790 0.00000
20 0.0731 0.00000
21 -0.0448 0.00000
22 -0.1594 0.00000
23 -0.0027 0.00000
24 -0.0233 0.00000
25 -0.4312 0.00000
26 0.1327 0.00000
27 0.0740 0.00000
28 -0.7119 0.00000
29 -0.0384 0.00000
30 0.2202 0.00000
31 -0.3302 0.00000
32 -0.6383 0.00000
33 -0.0908 0.00000
34 -0.0967 0.00000
35 -0.0285 0.00000
36 -0.4028 0.00000
37 -0.2700 0.00000
38 -0.0050 0.00000
39 -0.1512 0.00000
40 -0.3025 0.00000
41 -0.0686 0.00000
42 -0.2986 0.00000
43 -0.1119 0.00000
44 0.1367 0.00000
45 -0.0271 0.00000
46 0.0176 0.00000
47 -0.4648 0.00000
48 -0.2530 0.00000
49 -0.1441 0.00000
50 -0.0709 0.00000
51 -0.0759 0.00000
52 -0.1513 0.00000
53 -0.0145 0.00000
54 -0.0238 0.00000
55 -0.1377 0.00000
56 -0.2177 0.00000
57 -0.1945 0.00000
58 0.0559 0.00000
59 -0.4861 0.00000
60 0.0549 0.00000
61 -0.2581 0.00000
62 -0.1768 0.00000
63 -0.3081 0.00000
64 -0.1447 0.00000
65 -0.0242 0.00000
66 0.1888 0.00000
67 -0.2655 0.00000
68 -0.0259 0.00000
69 -0.0231 0.00000
70 -0.0215 0.00000
71 0.0076 0.00000
72 0.0378 0.00000
73 -0.0357 0.00000
74 -0.0148 0.00000
75 0.0796 0.00000
76 0.0707 0.00000
77 0.0489 0.00000
78 0.1135 0.00000
79 0.2307 0.00000
80 -0.0002 0.00000
81 0.4791 0.00000
82 0.0611 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.1010 0.00000
90 -0.0871 0.00000
91 0.0515 0.00000
92 -0.2340 0.00000
93 0.0578 0.00000
94 0.0417 0.00000
95 0.0331 0.00000
96 -0.0035 0.00000
97 0.0155 0.00000
98 0.4430 0.00000
99 0.8174 0.00000
100 0.0470 0.00000
101 0.8148 0.00000
102 -0.1064 0.00000
103 0.2767 0.00000
104 -0.0136 0.00000
105 -0.0749 0.00000
106 -0.0288 0.00000
107 -0.0540 0.00000
108 0.0296 0.00000
109 -0.0883 0.00000
110 -0.0503 0.00000
111 -0.0197 0.00000
112 -0.0954 0.00000
113 -0.0561 0.00000
114 -0.0388 0.00000
115 0.1322 0.00000
116 -0.1065 0.00000
117 0.1380 0.00000
118 -0.0204 0.00000
119 -0.0324 0.00000
120 0.0378 0.00000
121 -0.0598 0.00000
122 0.2231 0.00000
123 -0.0303 0.00000
124 0.1182 0.00000
125 -0.1428 0.00000
126 0.5697 0.00000
127 0.0516 0.00000
128 0.1900 0.00000
129 0.0355 0.00000
130 0.0983 0.00000
131 -0.1036 0.00000
132 0.0732 0.00000
133 -0.0017 0.00000
134 -0.0865 0.00000
135 -0.0438 0.00000
136 0.3845 0.00000
137 0.0529 0.00000
138 0.8754 0.00000
139 -0.0107 0.00000
140 0.0103 0.00000
141 0.1698 0.00000
142 0.0670 0.00000
143 0.0079 0.00000
144 0.0051 0.00000
145 0.0149 0.00000
146 0.0673 0.00000
147 0.0784 0.00000
148 -0.1258 0.00000
149 -0.1061 0.00000
150 -0.1130 0.00000
151 -0.1104 0.00000
152 -0.1814 0.00000
153 -0.0442 0.00000
154 -0.0431 0.00000
155 -0.0024 0.00000
156 -0.2439 0.00000
157 0.2302 0.00000
158 -0.0622 0.00000
159 -0.3144 0.00000
160 0.0222 0.00000
161 0.0021 0.00000
162 -0.1081 0.00000
163 -0.0288 0.00000
164 -0.6726 0.00000
165 0.0265 0.00000
166 -0.0721 0.00000
167 -0.0648 0.00000
168 0.0992 0.00000
169 -0.0797 0.00000
170 -0.0091 0.00000
171 -0.2613 0.00000
172 -0.1525 0.00000
173 -0.0312 0.00000
174 -0.1006 0.00000
175 -0.0073 0.00000
176 -0.3364 0.00000
177 -0.0104 0.00000
178 0.0159 0.00000
179 -0.0299 0.00000
180 0.1172 0.00000
181 -0.0734 0.00000
182 -0.1019 0.00000
183 -0.0843 0.00000
184 0.0119 0.00000
185 0.0753 0.00000
186 -0.0640 0.00000
187 -0.3574 0.00000
188 -0.0486 0.00000
189 0.0372 0.00000
190 -0.1771 0.00000
191 -0.1160 0.00000
192 -0.1446 0.00000
193 -0.0065 0.00000
194 -0.0819 0.00000
195 -0.0356 0.00000
196 -0.1238 0.00000
197 0.0301 0.00000
198 0.0769 0.00000
199 -0.0327 0.00000
200 0.0186 0.00000
201 -0.0101 0.00000
202 -0.0379 0.00000
203 -0.0246 0.00000
204 -0.2059 0.00000
205 -0.0804 0.00000
206 -0.0619 0.00000
207 -0.0458 0.00000
208 -0.0046 0.00000
209 -0.0196 0.00000
210 -0.3037 0.00000
211 -0.1968 0.00000
212 0.0408 0.00000
213 -0.0732 0.00000
214 -0.0238 0.00000
215 -0.0106 0.00000
216 0.0786 0.00000
217 -0.0816 0.00000
218 0.0977 0.00000
219 -0.1675 0.00000
220 -0.3473 0.00000
221 -0.5347 0.00000
222 -0.2548 0.00000
223 -0.2165 0.00000
224 -0.0330 0.00000
225 0.0570 0.00000
226 0.0771 0.00000
227 0.1014 0.00000
228 -0.0444 0.00000
229 0.0110 0.00000
230 0.0495 0.00000
231 -0.1988 0.00000
232 0.0957 0.00000
233 0.1311 0.00000
234 0.0998 0.00000
235 -0.0984 0.00000
236 -0.0298 0.00000
237 -0.0409 0.00000
238 -0.0746 0.00000
239 0.0148 0.00000
240 0.0431 0.00000
241 -0.1079 0.00000
242 -0.0178 0.00000
243 0.0473 0.00000
244 -0.0332 0.00000
245 0.0517 0.00000
246 -0.0119 0.00000
247 -0.0355 0.00000
248 -0.0606 0.00000
249 0.0247 0.00000
250 -0.0717 0.00000
251 -0.0204 0.00000
252 0.0281 0.00000
253 0.3872 0.00000
254 0.0557 0.00000
255 -0.0139 0.00000
256 -0.0535 0.00000
257 -0.0122 0.00000
258 -0.0614 0.00000
259 -0.0064 0.00000
260 -0.0212 0.00000
261 0.1691 0.00000
262 0.0415 0.00000
263 -0.0571 0.00000
264 0.0085 0.00000
265 0.0197 0.00000
266 0.0612 0.00000
267 -0.0602 0.00000
268 0.0208 0.00000
269 -0.0309 0.00000
270 -0.0058 0.00000
271 -0.0538 0.00000
272 -0.0298 0.00000
273 -0.1186 0.00000
274 0.0753 0.00000
275 -0.0109 0.00000
276 -0.0387 0.00000
277 0.1111 0.00000
278 -0.0007 0.00000
279 -0.0456 0.00000
280 0.0407 0.00000
281 -0.0668 0.00000
282 0.0603 0.00000
283 -0.0459 0.00000
284 0.0225 0.00000
285 -0.0652 0.00000
286 0.0990 0.00000
287 -0.0113 0.00000
288 -0.0216 0.00000
289 -0.0306 0.00000
290 0.0423 0.00000
291 -0.0286 0.00000
292 -0.0102 0.00000
293 0.0889 0.00000
294 0.0285 0.00000
295 0.0598 0.00000
296 -0.0383 0.00000
297 0.0881 0.00000
298 -0.0325 0.00000
299 0.0374 0.00000
300 -0.0655 0.00000
301 -0.0145 0.00000
302 0.0723 0.00000
303 0.0365 0.00000
304 -0.0498 0.00000
305 0.0370 0.00000
306 -0.0576 0.00000
307 -0.0098 0.00000
308 -0.0869 0.00000
309 0.0171 0.00000
310 0.0587 0.00000
311 0.1517 0.00000
312 0.0051 0.00000
313 -0.0245 0.00000
314 -0.0882 0.00000
315 0.0049 0.00000
316 -0.1043 0.00000
317 -0.0315 0.00000
318 -0.0450 0.00000
319 -0.0654 0.00000
320 -0.0173 0.00000
321 0.0069 0.00000
322 0.1391 0.00000
323 0.1247 0.00000
324 0.0407 0.00000
325 -0.0017 0.00000
326 -0.0167 0.00000
327 -0.0064 0.00000
328 0.0615 0.00000
329 0.1062 0.00000
330 -0.0136 0.00000
331 -0.0458 0.00000
332 -0.0801 0.00000
333 0.0017 0.00000
334 0.1573 0.00000
335 0.0921 0.00000
336 -0.0022 0.00000
337 0.0034 0.00000
338 0.0510 0.00000
339 0.0017 0.00000
340 0.0953 0.00000
341 0.0807 0.00000
342 0.0484 0.00000
343 -0.0029 0.00000
344 0.0119 0.00000
345 -0.0135 0.00000
346 -0.0070 0.00000
347 -0.0733 0.00000
348 -0.0641 0.00000
349 -0.0361 0.00000
350 -0.0269 0.00000
351 -0.0180 0.00000
352 -0.0401 0.00000
353 -0.0339 0.00000
354 0.0102 0.00000
355 -0.0313 0.00000
356 -0.0851 0.00000
357 -0.0302 0.00000
358 0.0555 0.00000
359 0.0202 0.00000
360 -0.0544 0.00000
361 -0.0260 0.00000
362 -0.0830 0.00000
363 -0.0346 0.00000
364 0.0955 0.00000
365 0.0803 0.00000
366 -0.0918 0.00000
367 -0.0340 0.00000
368 -0.0445 0.00000
369 -0.0289 0.00000
370 -0.0671 0.00000
371 0.1131 0.00000
372 -0.0383 0.00000
373 -0.0744 0.00000
374 -0.0435 0.00000
375 -0.0059 0.00000
376 -0.0126 0.00000
377 -0.0193 0.00000
378 0.0213 0.00000
379 0.0100 0.00000
380 -0.0088 0.00000
381 0.0095 0.00000
382 0.1097 0.00000
383 -0.0092 0.00000
384 -0.0070 0.00000
385 -0.0056 0.00000
386 0.0211 0.00000
387 -0.0599 0.00000
388 -0.1432 0.00000
389 -0.0572 0.00000
390 -0.0207 0.00000
391 -0.0407 0.00000
392 -0.0635 0.00000
393 -0.0802 0.00000
394 -0.2207 0.00000
395 -0.0089 0.00000
396 -0.0159 0.00000
397 0.0624 0.00000
398 -0.0089 0.00000
399 -0.1700 0.00000
400 -0.0602 0.00000
401 -0.0568 0.00000
402 -0.0228 0.00000
403 -0.0144 0.00000
404 -0.0149 0.00000
405 -0.0211 0.00000
406 -0.0313 0.00000
407 -0.1100 0.00000
408 0.0615 0.00000
409 -0.0319 0.00000
410 0.0179 0.00000
411 -0.0791 0.00000
412 -0.0781 0.00000
413 0.0270 0.00000
414 0.0312 0.00000
415 -0.0305 0.00000
416 0.0150 0.00000
417 0.0289 0.00000
418 -0.0441 0.00000
419 -0.0259 0.00000
420 -0.0143 0.00000
421 -0.0324 0.00000
422 -0.0572 0.00000
423 -0.0387 0.00000
424 0.0008 0.00000
425 0.0589 0.00000
426 -0.0161 0.00000
427 -0.0247 0.00000
428 -0.0380 0.00000
429 0.0205 0.00000
430 -0.0214 0.00000
431 -0.0821 0.00000
432 -0.0877 0.00000
433 -0.0165 0.00000
434 -0.1461 0.00000
435 -0.0573 0.00000
436 -0.0730 0.00000
437 -0.0597 0.00000
438 0.0031 0.00000
439 0.0297 0.00000
440 -0.0717 0.00000
441 -0.0062 0.00000
442 -0.0697 0.00000
443 -0.0346 0.00000
444 0.0076 0.00000
445 -0.0308 0.00000
446 -0.0193 0.00000
447 -0.0944 0.00000
448 -0.0804 0.00000
449 0.0167 0.00000
450 0.0169 0.00000
451 -0.0036 0.00000
452 0.0659 0.00000
453 -0.0384 0.00000
454 -0.1275 0.00000
455 -0.0720 0.00000
456 0.0036 0.00000
457 -0.1092 0.00000
458 -0.0646 0.00000
459 -0.0276 0.00000
460 -0.1024 0.00000
461 -0.0774 0.00000
462 -0.0843 0.00000
463 -0.0286 0.00000
464 -0.0154 0.00000
465 -0.0577 0.00000
466 -0.0694 0.00000
467 -0.0284 0.00000
468 -0.0004 0.00000
469 0.0278 0.00000
470 0.0295 0.00000
471 -0.1682 0.00000
472 -0.0661 0.00000
473 -0.0455 0.00000
474 -0.0783 0.00000
475 -0.0266 0.00000
476 -0.0481 0.00000
477 0.0018 0.00000
478 -0.1142 0.00000
479 0.0346 0.00000
480 -0.2594 0.00000
481 0.0684 0.00000
482 -0.1217 0.00000
483 0.0124 0.00000
484 -0.0705 0.00000
485 -0.2379 0.00000
486 -0.0223 0.00000
487 -0.0952 0.00000
488 0.0006 0.00000
489 0.0061 0.00000
490 -0.0982 0.00000
491 -0.0783 0.00000
492 -0.0542 0.00000
493 -0.0227 0.00000
494 -0.0862 0.00000
495 -0.0712 0.00000
496 -0.0316 0.00000
497 -0.1366 0.00000
498 -0.0223 0.00000
499 -0.0486 0.00000
500 -0.0285 0.00000
501 -0.0404 0.00000
502 0.0225 0.00000
503 -0.0541 0.00000
504 -0.0386 0.00000
505 -0.0445 0.00000
506 0.0115 0.00000
507 -0.0174 0.00000
508 -0.0133 0.00000
509 -0.0283 0.00000
510 -0.0726 0.00000
511 -0.0544 0.00000
512 -0.0496 0.00000
513 0.0291 0.00000
514 -0.0409 0.00000
515 0.0404 0.00000
516 -0.0209 0.00000
517 0.0178 0.00000
518 0.0037 0.00000
519 0.0767 0.00000
520 -0.0101 0.00000
521 -0.0215 0.00000
522 -0.0613 0.00000
523 -0.0580 0.00000
524 0.0500 0.00000
525 -0.0176 0.00000
526 -0.0060 0.00000
527 -0.0013 0.00000
528 0.0375 0.00000
529 0.0379 0.00000
530 0.0054 0.00000
531 0.0557 0.00000
532 0.1123 0.00000
533 0.1025 0.00000
534 -0.0496 0.00000
535 0.1471 0.00000
536 0.0204 0.00000
537 0.0074 0.00000
538 0.0490 0.00000
539 0.0044 0.00000
540 0.1759 0.00000
541 0.0295 0.00000
542 0.0308 0.00000
543 -0.0193 0.00000
544 0.0782 0.00000
545 -0.0040 0.00000
546 -0.0042 0.00000
547 -0.0334 0.00000
548 0.0037 0.00000
549 0.0400 0.00000
550 -0.0788 0.00000
551 0.0077 0.00000
552 0.0672 0.00000
553 0.0019 0.00000
554 0.0385 0.00000
555 0.0220 0.00000
556 0.0140 0.00000
557 -0.0138 0.00000
558 -0.0382 0.00000
559 0.0049 0.00000
560 0.0509 0.00000
561 -0.0235 0.00000
562 -0.0036 0.00000
563 0.0452 0.00000
564 -0.0559 0.00000
565 0.0671 0.00000
566 0.0287 0.00000
567 0.0069 0.00000
568 0.0649 0.00000
569 0.0535 0.00000
570 -0.0376 0.00000
571 0.0164 0.00000
572 0.0691 0.00000
573 0.0051 0.00000
574 0.0864 0.00000
575 -0.0394 0.00000
576 -0.0013 0.00000
577 0.1743 0.00000
578 0.1717 0.00000
579 0.0785 0.00000
580 0.0530 0.00000
581 0.2157 0.00000
582 0.0406 0.00000
583 0.1369 0.00000
584 0.4340 0.00000
585 0.0974 0.00000
586 0.0772 0.00000
587 -0.0055 0.00000
588 0.0361 0.00000
589 -0.0243 0.00000
590 0.0435 0.00000
591 0.0032 0.00000
592 0.0500 0.00000
593 0.0413 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1368 0.00000
597 -0.1482 0.00000
598 -0.0217 0.00000
599 0.0047 0.00000
600 -0.0441 0.00000
601 -0.0306 0.00000
602 -0.0863 0.00000
603 -0.0615 0.00000
604 0.0331 0.00000
605 -0.0396 0.00000
606 -0.0475 0.00000
607 -0.0336 0.00000
608 -0.0626 0.00000
609 -0.0616 0.00000
610 0.0106 0.00000
611 -0.0725 0.00000
612 -0.0311 0.00000
613 0.0184 0.00000
614 0.0646 0.00000
615 -0.0349 0.00000
616 0.1006 0.00000
617 -0.0181 0.00000
618 -0.0943 0.00000
619 0.0146 0.00000
620 -0.0137 0.00000
621 -0.0001 0.00000
622 0.1720 0.00000
623 0.0042 0.00000
624 0.0133 0.00000
625 -0.0172 0.00000
626 0.0086 0.00000
627 0.0213 0.00000
628 -0.0859 0.00000
629 -0.0032 0.00000
630 -0.0151 0.00000
631 -0.0599 0.00000
632 -0.0594 0.00000
633 0.0583 0.00000
634 -0.0684 0.00000
635 0.0057 0.00000
636 0.0229 0.00000
637 -0.0322 0.00000
638 0.0284 0.00000
639 0.0090 0.00000
640 -0.0125 0.00000
641 -0.0245 0.00000
642 -0.0367 0.00000
643 -0.0107 0.00000
644 -0.0220 0.00000
645 -0.0210 0.00000
646 -0.0011 0.00000
647 -0.0610 0.00000
648 0.0066 0.00000
649 -0.0121 0.00000
650 0.0038 0.00000
651 0.0149 0.00000
652 -0.0118 0.00000
653 0.0169 0.00000
654 0.0538 0.00000
655 0.0317 0.00000
656 -0.0432 0.00000
657 -0.0192 0.00000
658 -0.0456 0.00000
659 -0.0232 0.00000
660 -0.0118 0.00000
661 0.0793 0.00000
662 0.0310 0.00000
663 0.0090 0.00000
664 0.0071 0.00000
665 -0.0022 0.00000
666 -0.0142 0.00000
667 -0.0168 0.00000
668 -0.0156 0.00000
669 0.0458 0.00000
670 -0.0708 0.00000
671 0.0062 0.00000
672 0.0005 0.00000
673 -0.0185 0.00000
674 0.0452 0.00000
675 -0.0260 0.00000
676 0.0258 0.00000
677 0.0767 0.00000
678 -0.0743 0.00000
679 -0.0041 0.00000
680 -0.0056 0.00000
681 -0.0067 0.00000
682 -0.0279 0.00000
683 0.0400 0.00000
684 0.0018 0.00000
685 0.0254 0.00000
686 0.0002 0.00000
687 -0.0412 0.00000
688 0.0378 0.00000
689 0.0039 0.00000
690 -0.0118 0.00000
691 -0.0125 0.00000
692 0.0084 0.00000
693 0.0227 0.00000
694 -0.0112 0.00000
695 -0.0021 0.00000
696 0.0073 0.00000
697 0.0238 0.00000
698 0.0119 0.00000
699 0.0723 0.00000
700 -0.0006 0.00000
701 -0.0084 0.00000
702 0.0262 0.00000
703 -0.0052 0.00000
704 0.0683 0.00000
705 -0.0078 0.00000
706 0.0950 0.00000
707 0.0214 0.00000
708 0.0368 0.00000
709 0.0113 0.00000
710 0.0086 0.00000
711 0.0431 0.00000
712 0.0200 0.00000
713 -0.0255 0.00000
714 -0.0259 0.00000
715 0.0020 0.00000
716 0.0261 0.00000
717 -0.0004 0.00000
718 -0.0578 0.00000
719 0.0318 0.00000
720 0.0220 0.00000
721 0.0580 0.00000
722 -0.0188 0.00000
723 0.0263 0.00000
724 0.0874 0.00000
725 -0.0124 0.00000
726 -0.0370 0.00000
727 0.0018 0.00000
728 -0.0164 0.00000
729 0.0372 0.00000
730 0.0269 0.00000
731 -0.0036 0.00000
732 -0.0399 0.00000
733 -0.0496 0.00000
734 0.0543 0.00000
735 0.0316 0.00000
736 0.0287 0.00000
737 0.0128 0.00000
738 -0.0043 0.00000
739 0.0158 0.00000
740 0.0051 0.00000
741 0.0141 0.00000
742 0.0081 0.00000
743 -0.0015 0.00000
744 0.0128 0.00000
745 -0.0018 0.00000
746 -0.0019 0.00000
747 -0.0015 0.00000
748 0.0093 0.00000
749 -0.0122 0.00000
750 0.0337 0.00000
751 0.0492 0.00000
752 0.0396 0.00000
753 -0.0262 0.00000
754 0.0232 0.00000
755 0.1454 0.00000
756 -0.0468 0.00000
757 -0.0340 0.00000
758 -0.0019 0.00000
759 0.0379 0.00000
760 0.0990 0.00000
761 -0.0090 0.00000
762 0.0100 0.00000
763 0.0333 0.00000
764 -0.0089 0.00000
765 0.0260 0.00000
766 0.0191 0.00000
767 0.0537 0.00000
768 0.0425 0.00000
769 0.0132 0.00000
770 -0.0364 0.00000
771 -0.0138 0.00000
772 -0.0150 0.00000
773 -0.0283 0.00000
774 0.0380 0.00000
775 -0.0071 0.00000
776 0.0342 0.00000
777 0.0036 0.00000
778 0.0238 0.00000
779 -0.0089 0.00000
780 -0.0089 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0908 0.00000
5 -0.1174 0.00000
6 -0.1449 0.00000
7 -0.0281 0.00000
8 -0.0455 0.00000
9 -0.2092 0.00000
10 -0.1034 0.00000
11 -0.1220 0.00000
12 0.0549 0.00000
13 0.0969 0.00000
14 0.0286 0.00000
15 -0.6772 0.00000
16 -0.0870 0.00000
17 -0.0414 0.00000
18 0.0642 0.00000
19 0.0706 0.00000
20 0.0781 0.00000
21 -0.0447 0.00000
22 -0.1679 0.00000
23 -0.0009 0.00000
24 -0.0723 0.00000
25 -0.3387 0.00000
26 0.0471 0.00000
27 0.1729 0.00000
28 -0.7542 0.00000
29 -0.0477 0.00000
30 0.2419 0.00000
31 -0.2699 0.00000
32 -0.7734 0.00000
33 -0.0400 0.00000
34 -0.1035 0.00000
35 -0.0281 0.00000
36 -0.2932 0.00000
37 -0.4376 0.00000
38 0.0106 0.00000
39 -0.3037 0.00000
40 -0.1406 0.00000
41 -0.0997 0.00000
42 -0.1436 0.00000
43 -0.1133 0.00000
44 0.4655 0.00000
45 -0.4809 0.00000
46 -0.3624 0.00000
47 -0.0629 0.00000
48 -0.1418 0.00000
49 -0.0344 0.00000
50 -0.1843 0.00000
51 -0.2609 0.00000
52 -0.0193 0.00000
53 -0.0335 0.00000
54 -0.0288 0.00000
55 -0.1963 0.00000
56 -0.2226 0.00000
57 0.0492 0.00000
58 -0.1512 0.00000
59 0.0654 0.00000
60 -0.6702 0.00000
61 -0.1647 0.00000
62 0.0575 0.00000
63 -0.4856 0.00000
64 -0.1284 0.00000
65 -0.0331 0.00000
66 0.2066 0.00000
67 -0.0234 0.00000
68 -0.2489 0.00000
69 -0.0286 0.00000
70 -0.0207 0.00000
71 0.0078 0.00000
72 0.0379 0.00000
73 -0.0351 0.00000
74 -0.0148 0.00000
75 0.1113 0.00000
76 0.0377 0.00000
77 0.0547 0.00000
78 0.1617 0.00000
79 0.1776 0.00000
80 -0.0002 0.00000
81 0.4793 0.00000
82 0.0611 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.1014 0.00000
90 -0.0801 0.00000
91 -0.0854 0.00000
92 -0.1073 0.00000
93 0.0655 0.00000
94 0.0448 0.00000
95 0.0124 0.00000
96 0.0167 0.00000
97 0.0719 0.00000
98 0.4824 0.00000
99 0.0891 0.00000
100 1.3000 0.00000
101 0.2206 0.00000
102 -0.1131 0.00000
103 -0.0361 0.00000
104 0.2853 0.00000
105 -0.0871 0.00000
106 -0.0330 0.00000
107 -0.0001 0.00000
108 -0.1160 0.00000
109 0.0614 0.00000
110 -0.0870 0.00000
111 -0.0279 0.00000
112 -0.0960 0.00000
113 -0.0362 0.00000
114 -0.0766 0.00000
115 0.1041 0.00000
116 -0.0122 0.00000
117 0.0908 0.00000
118 -0.0277 0.00000
119 0.0115 0.00000
120 -0.0113 0.00000
121 -0.0508 0.00000
122 0.1893 0.00000
123 0.0511 0.00000
124 0.0431 0.00000
125 -0.1264 0.00000
126 0.6793 0.00000
127 0.0927 0.00000
128 -0.0489 0.00000
129 0.0444 0.00000
130 0.2003 0.00000
131 -0.0741 0.00000
132 0.0185 0.00000
133 0.0025 0.00000
134 -0.0837 0.00000
135 -0.0351 0.00000
136 0.3640 0.00000
137 0.0054 0.00000
138 0.9228 0.00000
139 0.0060 0.00000
140 0.0035 0.00000
141 0.1708 0.00000
142 0.0665 0.00000
143 0.0092 0.00000
144 0.0054 0.00000
145 0.0148 0.00000
146 0.0672 0.00000
147 0.0785 0.00000
148 -0.1257 0.00000
149 -0.1085 0.00000
150 -0.1148 0.00000
151 -0.1703 0.00000
152 0.0416 0.00000
153 -0.1694 0.00000
154 -0.0670 0.00000
155 -0.0818 0.00000
156 -0.2014 0.00000
157 -0.1016 0.00000
158 0.1799 0.00000
159 -0.0347 0.00000
160 -0.0568 0.00000
161 -0.0812 0.00000
162 -0.1192 0.00000
163 -0.2378 0.00000
164 -0.1362 0.00000
165 -0.3494 0.00000
166 0.0435 0.00000
167 -0.1542 0.00000
168 -0.1222 0.00000
169 0.0075 0.00000
170 -0.0361 0.00000
171 -0.0075 0.00000
172 -0.2394 0.00000
173 0.0057 0.00000
174 -0.1280 0.00000
175 0.0383 0.00000
176 -0.2516 0.00000
177 -0.0031 0.00000
178 0.0182 0.00000
179 -0.0959 0.00000
180 -0.0174 0.00000
181 -0.0523 0.00000
182 -0.1212 0.00000
183 -0.0015 0.00000
184 -0.0080 0.00000
185 0.0464 0.00000
186 -0.0354 0.00000
187 0.0289 0.00000
188 -0.3405 0.00000
189 -0.1643 0.00000
190 -0.2847 0.00000
191 -0.0228 0.00000
192 -0.0506 0.00000
193 -0.0020 0.00000
194 -0.0076 0.00000
195 -0.0132 0.00000
196 -0.0836 0.00000
197 -0.0828 0.00000
198 0.1232 0.00000
199 -0.0467 0.00000
200 -0.0413 0.00000
201 -0.1307 0.00000
202 0.1650 0.00000
203 -0.0918 0.00000
204 -0.1181 0.00000
205 -0.1237 0.00000
206 -0.0492 0.00000
207 -0.0140 0.00000
208 0.0001 0.00000
209 -0.1859 0.00000
210 -0.1709 0.00000
211 -0.1749 0.00000
212 -0.0684 0.00000
213 -0.0374 0.00000
214 -0.0209 0.00000
215 -0.0040 0.00000
216 0.2260 0.00000
217 -0.0310 0.00000
218 -0.0423 0.00000
219 -0.5298 0.00000
220 -0.1465 0.00000
221 -0.6132 0.00000
222 -0.0291 0.00000
223 -0.1780 0.00000
224 -0.1125 0.00000
225 0.0825 0.00000
226 0.0699 0.00000
227 0.0930 0.00000
228 -0.0456 0.00000
229 0.0098 0.00000
230 0.0486 0.00000
231 -0.1996 0.00000
232 0.1128 0.00000
233 0.1135 0.00000
234 0.0988 0.00000
235 -0.0829 0.00000
236 -0.0458 0.00000
237 -0.0700 0.00000
238 -0.0391 0.00000
239 0.0022 0.00000
240 -0.0349 0.00000
241 0.0305 0.00000
242 -0.0104 0.00000
243 -0.0693 0.00000
244 0.0635 0.00000
245 0.0574 0.00000
246 -0.0508 0.00000
247 -0.0433 0.00000
248 -0.0213 0.00000
249 -0.0049 0.00000
250 -0.0217 0.00000
251 0.0299 0.00000
252 0.0914 0.00000
253 -0.0382 0.00000
254 0.0468 0.00000
255 -0.0253 0.00000
256 -0.0591 0.00000
257 0.1771 0.00000
258 0.0228 0.00000
259 0.0365 0.00000
260 0.0980 0.00000
261 -0.0526 0.00000
262 -0.0430 0.00000
263 0.0582 0.00000
264 0.0412 0.00000
265 0.0076 0.00000
266 0.0289 0.00000
267 0.0139 0.00000
268 0.0265 0.00000
269 -0.0737 0.00000
270 -0.0502 0.00000
271 -0.0439 0.00000
272 -0.0473 0.00000
273 -0.0593 0.00000
274 0.0711 0.00000
275 -0.0351 0.00000
276 -0.0661 0.00000
277 0.1204 0.00000
278 0.0439 0.00000
279 0.0854 0.00000
280 -0.0860 0.00000
281 -0.0028 0.00000
282 0.0123 0.00000
283 -0.0752 0.00000
284 0.0105 0.00000
285 0.0750 0.00000
286 -0.0292 0.00000
287 0.0081 0.00000
288 0.0010 0.00000
289 0.0334 0.00000
290 0.0650 0.00000
291 0.0533 0.00000
292 -0.0971 0.00000
293 -0.0358 0.00000
294 0.0866 0.00000
295 -0.0374 0.00000
296 0.0054 0.00000
297 -0.0348 0.00000
298 0.0403 0.00000
299 -0.0494 0.00000
300 0.0231 0.00000
301 -0.0302 0.00000
302 0.0741 0.00000
303 -0.0157 0.00000
304 0.0688 0.00000
305 0.0304 0.00000
306 -0.0302 0.00000
307 0.0613 0.00000
308 0.0968 0.00000
309 -0.0594 0.00000
310 0.0611 0.00000
311 -0.0136 0.00000
312 -0.0095 0.00000
313 -0.1629 0.00000
314 -0.0174 0.00000
315 0.0186 0.00000
316 -0.1474 0.00000
317 -0.0149 0.00000
318 0.0141 0.00000
319 -0.0195 0.00000
320 0.0112 0.00000
321 -0.0217 0.00000
322 0.1319 0.00000
323 -0.0260 0.00000
324 0.0671 0.00000
325 0.0126 0.00000
326 0.0315 0.00000
327 0.0579 0.00000
328 -0.0280 0.00000
329 0.0239 0.00000
330 0.0020 0.00000
331 0.1064 0.00000
332 0.0045 0.00000
333 -0.0128 0.00000
334 0.0071 0.00000
335 0.1005 0.00000
336 0.0112 0.00000
337 -0.0084 0.00000
338 0.0889 0.00000
339 0.2891 0.00000
340 -0.0551 0.00000
341 -0.0161 0.00000
342 -0.0276 0.00000
343 -0.0395 0.00000
344 0.0137 0.00000
345 -0.0302 0.00000
346 -0.0368 0.00000
347 0.0339 0.00000
348 -0.0160 0.00000
349 -0.0359 0.00000
350 -0.0941 0.00000
351 0.0339 0.00000
352 -0.0275 0.00000
353 -0.0135 0.00000
354 -0.0487 0.00000
355 -0.1375 0.00000
356 -0.0077 0.00000
357 0.0635 0.00000
358 0.0028 0.00000
359 -0.0225 0.00000
360 -0.0261 0.00000
361 -0.0187 0.00000
362 0.0577 0.00000
363 0.0648 0.00000
364 0.0054 0.00000
365 -0.1082 0.00000
366 -0.0925 0.00000
367 0.0442 0.00000
368 -0.0258 0.00000
369 -0.0491 0.00000
370 0.0025 0.00000
371 -0.0521 0.00000
372 0.0237 0.00000
373 -0.0735 0.00000
374 -0.0164 0.00000
375 -0.0057 0.00000
376 -0.0109 0.00000
377 -0.0172 0.00000
378 -0.0236 0.00000
379 0.0373 0.00000
380 -0.0319 0.00000
381 -0.0122 0.00000
382 0.0276 0.00000
383 -0.0480 0.00000
384 0.0286 0.00000
385 -0.0186 0.00000
386 -0.0569 0.00000
387 -0.0533 0.00000
388 -0.0616 0.00000
389 0.0171 0.00000
390 -0.0801 0.00000
391 0.0218 0.00000
392 -0.1395 0.00000
393 -0.0143 0.00000
394 -0.0472 0.00000
395 0.0240 0.00000
396 -0.0271 0.00000
397 -0.0721 0.00000
398 -0.0004 0.00000
399 -0.0244 0.00000
400 -0.1146 0.00000
401 -0.0491 0.00000
402 -0.0986 0.00000
403 -0.0231 0.00000
404 -0.1000 0.00000
405 -0.0122 0.00000
406 -0.0153 0.00000
407 -0.0711 0.00000
408 -0.0399 0.00000
409 -0.0728 0.00000
410 0.1292 0.00000
411 -0.0167 0.00000
412 0.0184 0.00000
413 -0.0345 0.00000
414 -0.0208 0.00000
415 0.0283 0.00000
416 -0.0499 0.00000
417 0.0402 0.00000
418 -0.0780 0.00000
419 -0.0050 0.00000
420 -0.0395 0.00000
421 0.0237 0.00000
422 -0.1281 0.00000
423 -0.0261 0.00000
424 -0.0694 0.00000
425 -0.0046 0.00000
426 -0.0378 0.00000
427 -0.0357 0.00000
428 0.0195 0.00000
429 -0.0382 0.00000
430 -0.0110 0.00000
431 -0.0147 0.00000
432 -0.0047 0.00000
433 0.0154 0.00000
434 -0.0599 0.00000
435 -0.0443 0.00000
436 -0.0469 0.00000
437 0.0010 0.00000
438 -0.0383 0.00000
439 -0.0516 0.00000
440 -0.0477 0.00000
441 -0.0279 0.00000
442 -0.1928 0.00000
443 0.0131 0.00000
444 -0.0578 0.00000
445 -0.0811 0.00000
446 0.0062 0.00000
447 -0.0729 0.00000
448 -0.0432 0.00000
449 -0.0185 0.00000
450 0.0547 0.00000
451 -0.0271 0.00000
452 0.0650 0.00000
453 -0.1021 0.00000
454 -0.0880 0.00000
455 -0.0108 0.00000
456 -0.0106 0.00000
457 0.0174 0.00000
458 -0.0282 0.00000
459 -0.0719 0.00000
460 -0.0236 0.00000
461 0.0013 0.00000
462 -0.2999 0.00000
463 -0.0281 0.00000
464 -0.0252 0.00000
465 -0.0568 0.00000
466 -0.0425 0.00000
467 -0.0673 0.00000
468 -0.0664 0.00000
469 -0.0417 0.00000
470 0.0145 0.00000
471 -0.0207 0.00000
472 -0.0431 0.00000
473 -0.0364 0.00000
474 -0.2434 0.00000
475 -0.0583 0.00000
476 -0.0148 0.00000
477 -0.0113 0.00000
478 -0.0620 0.00000
479 -0.2409 0.00000
480 -0.0850 0.00000
481 -0.0205 0.00000
482 0.0177 0.00000
483 -0.0458 0.00000
484 -0.0749 0.00000
485 0.0029 0.00000
486 -0.0359 0.00000
487 0.0460 0.00000
488 -0.1992 0.00000
489 -0.0001 0.00000
490 -0.0670 0.00000
491 -0.0170 0.00000
492 -0.0854 0.00000
493 -0.0423 0.00000
494 -0.0371 0.00000
495 0.0427 0.00000
496 -0.0446 0.00000
497 -0.0671 0.00000
498 -0.0993 0.00000
499 -0.0860 0.00000
500 -0.1857 0.00000
501 -0.0474 0.00000
502 0.0181 0.00000
503 -0.0312 0.00000
504 -0.0065 0.00000
505 -0.0242 0.00000
506 -0.0263 0.00000
507 -0.0731 0.00000
508 0.0572 0.00000
509 -0.0508 0.00000
510 -0.0250 0.00000
511 -0.0293 0.00000
512 -0.0100 0.00000
513 -0.0133 0.00000
514 -0.0718 0.00000
515 -0.0365 0.00000
516 -0.0128 0.00000
517 -0.0234 0.00000
518 -0.0400 0.00000
519 -0.0087 0.00000
520 0.0680 0.00000
521 0.0024 0.00000
522 0.0166 0.00000
523 -0.0530 0.00000
524 0.0441 0.00000
525 0.0135 0.00000
526 -0.0074 0.00000
527 0.0477 0.00000
528 -0.0632 0.00000
529 -0.0071 0.00000
530 0.0963 0.00000
531 0.1022 0.00000
532 0.0613 0.00000
533 0.1127 0.00000
534 0.0871 0.00000
535 -0.0775 0.00000
536 0.2256 0.00000
537 0.0707 0.00000
538 0.0485 0.00000
539 0.0180 0.00000
540 -0.0411 0.00000
541 0.0268 0.00000
542 -0.0290 0.00000
543 0.0294 0.00000
544 0.0758 0.00000
545 0.0406 0.00000
546 0.0500 0.00000
547 0.0343 0.00000
548 -0.0146 0.00000
549 -0.0283 0.00000
550 -0.0286 0.00000
551 -0.0671 0.00000
552 0.0149 0.00000
553 0.0331 0.00000
554 0.0255 0.00000
555 0.0030 0.00000
556 0.0348 0.00000
557 -0.0596 0.00000
558 0.0308 0.00000
559 -0.0268 0.00000
560 0.0977 0.00000
561 0.0060 0.00000
562 -0.0298 0.00000
563 0.0423 0.00000
564 -0.0306 0.00000
565 0.0062 0.00000
566 -0.0002 0.00000
567 0.0603 0.00000
568 0.0354 0.00000
569 0.0271 0.00000
570 -0.0203 0.00000
571 0.0491 0.00000
572 0.0321 0.00000
573 0.0482 0.00000
574 0.0457 0.00000
575 0.0477 0.00000
576 0.1048 0.00000
577 0.0916 0.00000
578 0.0226 0.00000
579 0.1292 0.00000
580 0.1302 0.00000
581 0.0208 0.00000
582 0.2712 0.00000
583 0.0110 0.00000
584 0.5659 0.00000
585 0.0615 0.00000
586 0.0213 0.00000
587 -0.0048 0.00000
588 0.0356 0.00000
589 -0.0242 0.00000
590 0.0437 0.00000
591 0.0041 0.00000
592 0.0484 0.00000
593 0.0406 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1369 0.00000
597 -0.1484 0.00000
598 -0.0223 0.00000
599 0.0150 0.00000
600 -0.0830 0.00000
601 -0.0205 0.00000
602 0.0018 0.00000
603 -0.0857 0.00000
604 -0.0618 0.00000
605 0.0400 0.00000
606 -0.0480 0.00000
607 -0.0680 0.00000
608 -0.0700 0.00000
609 0.0466 0.00000
610 -0.0580 0.00000
611 0.0012 0.00000
612 0.0237 0.00000
613 -0.0113 0.00000
614 -0.0861 0.00000
615 -0.0459 0.00000
616 -0.0340 0.00000
617 0.0017 0.00000
618 0.0425 0.00000
619 -0.0228 0.00000
620 0.0800 0.00000
621 -0.0279 0.00000
622 0.0393 0.00000
623 -0.0076 0.00000
624 0.0312 0.00000
625 0.0330 0.00000
626 0.0434 0.00000
627 0.0018 0.00000
628 0.0295 0.00000
629 -0.0653 0.00000
630 -0.0309 0.00000
631 -0.1061 0.00000
632 -0.0285 0.00000
633 0.0708 0.00000
634 0.0412 0.00000
635 -0.0023 0.00000
636 -0.0003 0.00000
637 -0.0559 0.00000
638 -0.0005 0.00000
639 -0.0405 0.00000
640 -0.0212 0.00000
641 0.0061 0.00000
642 0.0058 0.00000
643 -0.0355 0.00000
644 -0.0369 0.00000
645 -0.0436 0.00000
646 0.0738 0.00000
647 0.0367 0.00000
648 -0.0225 0.00000
649 -0.0130 0.00000
650 -0.0182 0.00000
651 -0.0060 0.00000
652 -0.0314 0.00000
653 -0.0021 0.00000
654 0.0330 0.00000
655 -0.0192 0.00000
656 0.0006 0.00000
657 -0.0507 0.00000
658 0.0044 0.00000
659 -0.0390 0.00000
660 -0.0352 0.00000
661 0.0302 0.00000
662 -0.0267 0.00000
663 0.0197 0.00000
664 -0.0141 0.00000
665 0.0207 0.00000
666 -0.0012 0.00000
667 0.0041 0.00000
668 0.0258 0.00000
669 0.0301 0.00000
670 -0.0367 0.00000
671 0.0102 0.00000
672 0.0157 0.00000
673 -0.0652 0.00000
674 0.0053 0.00000
675 -0.0300 0.00000
676 0.0036 0.00000
677 -0.0522 0.00000
678 0.0273 0.00000
679 0.0360 0.00000
680 0.0042 0.00000
681 0.0171 0.00000
682 0.0154 0.00000
683 0.0341 0.00000
684 0.0032 0.00000
685 0.0254 0.00000
686 0.1086 0.00000
687 0.0418 0.00000
688 -0.0035 0.00000
689 0.0018 0.00000
690 0.0513 0.00000
691 -0.0494 0.00000
692 0.0311 0.00000
693 -0.0003 0.00000
694 0.0142 0.00000
695 -0.0028 0.00000
696 0.0692 0.00000
697 -0.0100 0.00000
698 0.0028 0.00000
699 -0.0174 0.00000
700 -0.0179 0.00000
701 0.0624 0.00000
702 0.0202 0.00000
703 0.0093 0.00000
704 -0.0216 0.00000
705 0.1146 0.00000
706 -0.0015 0.00000
707 -0.0353 0.00000
708 -0.0101 0.00000
709 0.0003 0.00000
710 -0.0271 0.00000
711 0.0098 0.00000
712 0.0020 0.00000
713 0.0516 0.00000
714 0.0120 0.00000
715 0.0009 0.00000
716 0.0035 0.00000
717 -0.0149 0.00000
718 0.0285 0.00000
719 0.0277 0.00000
720 0.0149 0.00000
721 -0.0313 0.00000
722 0.0081 0.00000
723 -0.0072 0.00000
724 0.0195 0.00000
725 0.0079 0.00000
726 0.0096 0.00000
727 0.0306 0.00000
728 -0.0034 0.00000
729 -0.0202 0.00000
730 0.0322 0.00000
731 0.1049 0.00000
732 0.0427 0.00000
733 0.0542 0.00000
734 0.0481 0.00000
735 0.0103 0.00000
736 0.0152 0.00000
737 -0.0470 0.00000
738 0.0023 0.00000
739 -0.0984 0.00000
740 0.0247 0.00000
741 -0.0765 0.00000
742 -0.0076 0.00000
743 0.0140 0.00000
744 0.0168 0.00000
745 0.0542 0.00000
746 0.0196 0.00000
747 0.0055 0.00000
748 0.0142 0.00000
749 0.0567 0.00000
750 -0.0118 0.00000
751 0.0180 0.00000
752 -0.0330 0.00000
753 0.0071 0.00000
754 0.0256 0.00000
755 -0.0030 0.00000
756 0.0535 0.00000
757 -0.0133 0.00000
758 -0.0671 0.00000
759 0.0516 0.00000
760 0.0019 0.00000
761 -0.0406 0.00000
762 0.0052 0.00000
763 0.0019 0.00000
764 0.0126 0.00000
765 0.0359 0.00000
766 0.0071 0.00000
767 0.0465 0.00000
768 -0.0215 0.00000
769 -0.0484 0.00000
770 -0.0359 0.00000
771 -0.0064 0.00000
772 0.0229 0.00000
773 0.0641 0.00000
774 -0.0181 0.00000
775 0.0310 0.00000
776 0.0117 0.00000
777 0.0639 0.00000
778 0.0786 0.00000
779 0.0503 0.00000
780 0.0156 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0905 0.00000
5 -0.1180 0.00000
6 -0.1455 0.00000
7 -0.0266 0.00000
8 -0.0451 0.00000
9 -0.2120 0.00000
10 -0.0990 0.00000
11 -0.1231 0.00000
12 0.0528 0.00000
13 0.0974 0.00000
14 0.0280 0.00000
15 -0.6740 0.00000
16 -0.0875 0.00000
17 0.0220 0.00000
18 -0.0080 0.00000
19 0.0823 0.00000
20 0.0769 0.00000
21 -0.0449 0.00000
22 -0.1413 0.00000
23 -0.0352 0.00000
24 -0.0900 0.00000
25 -0.4367 0.00000
26 0.2334 0.00000
27 0.0092 0.00000
28 -0.3895 0.00000
29 -0.0373 0.00000
30 0.1324 0.00000
31 -0.5366 0.00000
32 -0.6873 0.00000
33 -0.0519 0.00000
34 -0.0929 0.00000
35 -0.0284 0.00000
36 -0.3950 0.00000
37 -0.2627 0.00000
38 -0.0057 0.00000
39 -0.2947 0.00000
40 -0.1403 0.00000
41 -0.0375 0.00000
42 -0.2429 0.00000
43 -0.1112 0.00000
44 -0.3953 0.00000
45 0.3939 0.00000
46 0.0110 0.00000
47 -0.4677 0.00000
48 -0.2706 0.00000
49 -0.1580 0.00000
50 -0.0249 0.00000
51 -0.0565 0.00000
52 -0.1424 0.00000
53 -0.0331 0.00000
54 -0.1201 0.00000
55 -0.0601 0.00000
56 -0.1752 0.00000
57 0.0465 0.00000
58 -0.2127 0.00000
59 -0.5110 0.00000
60 0.0611 0.00000
61 0.0777 0.00000
62 -0.7724 0.00000
63 -0.0110 0.00000
64 -0.0653 0.00000
65 0.0250 0.00000
66 0.1262 0.00000
67 -0.3021 0.00000
68 -0.0512 0.00000
69 -0.0552 0.00000
70 -0.0091 0.00000
71 0.0026 0.00000
72 0.0377 0.00000
73 -0.0304 0.00000
74 -0.0175 0.00000
75 0.1042 0.00000
76 0.0414 0.00000
77 0.0496 0.00000
78 0.1012 0.00000
79 0.2463 0.00000
80 0.0000 0.00000
81 0.4788 0.00000
82 0.0612 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.0983 0.00000
90 -0.0913 0.00000
91 0.0229 0.00000
92 -0.2030 0.00000
93 0.0424 0.00000
94 0.0472 0.00000
95 -0.0103 0.00000
96 0.1125 0.00000
97 0.0094 0.00000
98 0.9306 0.00000
99 0.3393 0.00000
100 0.0022 0.00000
101 0.8012 0.00000
102 -0.0908 0.00000
103 0.2767 0.00000
104 -0.0351 0.00000
105 -0.1024 0.00000
106 -0.0259 0.00000
107 -0.0553 0.00000
108 0.0408 0.00000
109 -0.0575 0.00000
110 -0.0568 0.00000
111 -0.0351 0.00000
112 -0.1060 0.00000
113 -0.0692 0.00000
114 0.0400 0.00000
115 0.0605 0.00000
116 -0.0840 0.00000
117 0.1442 0.00000
118 -0.0308 0.00000
119 0.0086 0.00000
120 -0.0065 0.00000
121 -0.0050 0.00000
122 0.1764 0.00000
123 -0.0101 0.00000
124 0.0966 0.00000
125 -0.1436 0.00000
126 0.5622 0.00000
127 0.0535 0.00000
128 0.1463 0.00000
129 0.0409 0.00000
130 0.1674 0.00000
131 -0.1115 0.00000
132 0.0765 0.00000
133 0.0187 0.00000
134 -0.1355 0.00000
135 -0.0450 0.00000
136 0.3720 0.00000
137 0.0447 0.00000
138 0.9207 0.00000
139 -0.0225 0.00000
140 0.0012 0.00000
141 0.1728 0.00000
142 0.0695 0.00000
143 0.0072 0.00000
144 0.0051 0.00000
145 0.0177 0.00000
146 0.0636 0.00000
147 0.0791 0.00000
148 -0.1133 0.00000
149 -0.1190 0.00000
150 -0.1151 0.00000
151 -0.1060 0.00000
152 -0.1874 0.00000
153 -0.0685 0.00000
154 -0.0371 0.00000
155 -0.0029 0.00000
156 -0.1073 0.00000
157 0.0112 0.00000
158 -0.1615 0.00000
159 -0.1407 0.00000
160 0.0646 0.00000
161 -0.0029 0.00000
162 -0.0064 0.00000
163 -0.2110 0.00000
164 -0.4636 0.00000
165 -0.1606 0.00000
166 -0.0098 0.00000
167 -0.1012 0.00000
168 -0.0066 0.00000
169 -0.0569 0.00000
170 -0.1447 0.00000
171 0.0405 0.00000
172 -0.0277 0.00000
173 -0.1424 0.00000
174 -0.1316 0.00000
175 -0.0180 0.00000
176 -0.2847 0.00000
177 -0.0453 0.00000
178 -0.1148 0.00000
179 0.1327 0.00000
180 0.0300 0.00000
181 -0.2297 0.00000
182 -0.0983 0.00000
183 0.0493 0.00000
184 0.0279 0.00000
185 0.1354 0.00000
186 -0.0669 0.00000
187 -0.0954 0.00000
188 -0.4193 0.00000
189 -0.0365 0.00000
190 -0.0688 0.00000
191 -0.0543 0.00000
192 -0.1238 0.00000
193 -0.0765 0.00000
194 -0.1045 0.00000
195 -0.0170 0.00000
196 -0.0765 0.00000
197 -0.1134 0.00000
198 0.1874 0.00000
199 -0.0307 0.00000
200 -0.0097 0.00000
201 -0.0336 0.00000
202 -0.0536 0.00000
203 -0.0844 0.00000
204 -0.0845 0.00000
205 -0.0479 0.00000
206 -0.0323 0.00000
207 -0.0435 0.00000
208 -0.0398 0.00000
209 -0.0904 0.00000
210 -0.2827 0.00000
211 -0.1055 0.00000
212 -0.0802 0.00000
213 -0.0099 0.00000
214 -0.0462 0.00000
215 -0.0094 0.00000
216 -0.0205 0.00000
217 -0.0770 0.00000
218 0.1414 0.00000
219 -0.3110 0.00000
220 0.0055 0.00000
221 -0.8642 0.00000
222 -0.0270 0.00000
223 -0.2268 0.00000
224 -0.0461 0.00000
225 0.0834 0.00000
226 0.0567 0.00000
227 0.0905 0.00000
228 -0.0355 0.00000
229 0.0108 0.00000
230 0.0341 0.00000
231 -0.1998 0.00000
232 0.1137 0.00000
233 0.1153 0.00000
234 0.0954 0.00000
235 -0.0856 0.00000
236 -0.0344 0.00000
237 -0.0296 0.00000
238 -0.1227 0.00000
239 -0.0354 0.00000
240 -0.0131 0.00000
241 0.0338 0.00000
242 0.1001 0.00000
243 -0.0476 0.00000
244 0.0560 0.00000
245 -0.0451 0.00000
246 0.0012 0.00000
247 -0.0259 0.00000
248 -0.0817 0.00000
249 0.0101 0.00000
250 -0.0847 0.00000
251 0.0020 0.00000
252 0.0337 0.00000
253 0.2278 0.00000
254 -0.0028 0.00000
255 -0.0147 0.00000
256 0.1153 0.00000
257 -0.0351 0.00000
258 -0.0509 0.00000
259 0.0040 0.00000
260 -0.0121 0.00000
261 0.2302 0.00000
262 -0.0526 0.00000
263 -0.0276 0.00000
264 0.0389 0.00000
265 0.0376 0.00000
266 -0.0277 0.00000
267 -0.0036 0.00000
268 -0.0491 0.00000
269 -0.0075 0.00000
270 -0.0635 0.00000
271 0.0529 0.00000
272 -0.1600 0.00000
273 -0.1038 0.00000
274 -0.0169 0.00000
275 0.0782 0.00000
276 0.2073 0.00000
277 -0.0301 0.00000
278 0.0839 0.00000
279 -0.0881 0.00000
280 0.0980 0.00000
281 -0.0623 0.00000
282 0.0424 0.00000
283 0.0382 0.00000
284 -0.0523 0.00000
285 0.0049 0.00000
286 -0.0702 0.00000
287 0.0059 0.00000
288 -0.0234 0.00000
289 0.0194 0.00000
290 0.0727 0.00000
291 0.0101 0.00000
292 0.0509 0.00000
293 0.0878 0.00000
294 -0.0153 0.00000
295 -0.0404 0.00000
296 -0.0617 0.00000
297 0.0191 0.00000
298 0.0908 0.00000
299 -0.0845 0.00000
300 0.0559 0.00000
301 0.0119 0.00000
302 -0.0115 0.00000
303 -0.0013 0.00000
304 -0.0345 0.00000
305 0.0863 0.00000
306 -0.0057 0.00000
307 -0.0447 0.00000
308 -0.0119 0.00000
309 0.0199 0.00000
310 0.0074 0.00000
311 0.0708 0.00000
312 -0.1556 0.00000
313 -0.1302 0.00000
314 0.0304 0.00000
315 -0.0219 0.00000
316 0.0040 0.00000
317 0.0192 0.00000
318 -0.0277 0.00000
319 0.0340 0.00000
320 0.0037 0.00000
321 -0.0703 0.00000
322 0.1201 0.00000
323 0.0114 0.00000
324 -0.0299 0.00000
325 0.0492 0.00000
326 0.0987 0.00000
327 0.0107 0.00000
328 0.0705 0.00000
329 -0.0224 0.00000
330 0.0629 0.00000
331 -0.0447 0.00000
332 0.0564 0.00000
333 0.0341 0.00000
334 0.0045 0.00000
335 0.0859 0.00000
336 0.0241 0.00000
337 -0.0224 0.00000
338 0.0310 0.00000
339 -0.0172 0.00000
340 0.2599 0.00000
341 -0.0126 0.00000
342 0.0581 0.00000
343 -0.0106 0.00000
344 -0.0553 0.00000
345 -0.1169 0.00000
346 -0.0314 0.00000
347 0.0016 0.00000
348 0.0088 0.00000
349 -0.0241 0.00000
350 -0.0537 0.00000
351 -0.0259 0.00000
352 -0.0467 0.00000
353 -0.0403 0.00000
354 0.1050 0.00000
355 -0.0021 0.00000
356 -0.0599 0.00000
357 -0.0481 0.00000
358 -0.0470 0.00000
359 -0.0278 0.00000
360 -0.0303 0.00000
361 0.0014 0.00000
362 0.0193 0.00000
363 -0.0389 0.00000
364 -0.0123 0.00000
365 0.0297 0.00000
366 -0.0336 0.00000
367 -0.0213 0.00000
368 -0.0402 0.00000
369 -0.0023 0.00000
370 -0.0477 0.00000
371 -0.0222 0.00000
372 0.0155 0.00000
373 -0.0201 0.00000
374 -0.0194 0.00000
375 0.0084 0.00000
376 -0.0700 0.00000
377 0.0076 0.00000
378 -0.0385 0.00000
379 -0.0164 0.00000
380 -0.0550 0.00000
381 0.0438 0.00000
382 0.1103 0.00000
383 0.0319 0.00000
384 -0.0078 0.00000
385 -0.0076 0.00000
386 0.0868 0.00000
387 -0.0850 0.00000
388 -0.0584 0.00000
389 -0.0037 0.00000
390 -0.0757 0.00000
391 -0.0609 0.00000
392 -0.0762 0.00000
393 -0.0433 0.00000
394 -0.0423 0.00000
395 -0.0592 0.00000
396 -0.0811 0.00000
397 -0.1330 0.00000
398 0.0171 0.00000
399 -0.0161 0.00000
400 0.0059 0.00000
401 -0.0286 0.00000
402 -0.1219 0.00000
403 -0.0470 0.00000
404 -0.0690 0.00000
405 -0.0627 0.00000
406 -0.0310 0.00000
407 -0.0228 0.00000
408 0.0498 0.00000
409 -0.0260 0.00000
410 -0.0372 0.00000
411 -0.0319 0.00000
412 -0.0391 0.00000
413 -0.0295 0.00000
414 0.0043 0.00000
415 0.0245 0.00000
416 -0.0206 0.00000
417 -0.0542 0.00000
418 0.0058 0.00000
419 -0.0220 0.00000
420 -0.0135 0.00000
421 -0.0008 0.00000
422 -0.0844 0.00000
423 0.0302 0.00000
424 -0.0084 0.00000
425 0.0053 0.00000
426 -0.0285 0.00000
427 -0.1002 0.00000
428 -0.0136 0.00000
429 -0.0334 0.00000
430 -0.1462 0.00000
431 -0.0408 0.00000
432 -0.0468 0.00000
433 -0.0507 0.00000
434 0.0056 0.00000
435 0.0059 0.00000
436 -0.0359 0.00000
437 -0.0726 0.00000
438 -0.0250 0.00000
439 -0.0478 0.00000
440 -0.1723 0.00000
441 -0.0443 0.00000
442 -0.0057 0.00000
443 -0.0754 0.00000
444 -0.2200 0.00000
445 -0.0352 0.00000
446 -0.0004 0.00000
447 -0.0015 0.00000
448 0.0736 0.00000
449 -0.0063 0.00000
450 0.0998 0.00000
451 -0.0413 0.00000
452 -0.0852 0.00000
453 -0.0413 0.00000
454 -0.0479 0.00000
455 0.0043 0.00000
456 -0.0162 0.00000
457 -0.1059 0.00000
458 0.0013 0.00000
459 -0.0337 0.00000
460 0.0016 0.00000
461 -0.0327 0.00000
462 -0.0676 0.00000
463 -0.0132 0.00000
464 -0.1630 0.00000
465 -0.0515 0.00000
466 -0.0534 0.00000
467 -0.0344 0.00000
468 -0.0112 0.00000
469 0.0288 0.00000
470 0.0194 0.00000
471 -0.0743 0.00000
472 0.0604 0.00000
473 -0.0507 0.00000
474 -0.2195 0.00000
475 -0.0181 0.00000
476 -0.0624 0.00000
477 0.0246 0.00000
478 -0.0698 0.00000
479 0.0608 0.00000
480 -0.0345 0.00000
481 -0.1082 0.00000
482 -0.1070 0.00000
483 -0.0294 0.00000
484 0.0002 0.00000
485 -0.0118 0.00000
486 -0.3245 0.00000
487 -0.0716 0.00000
488 -0.0974 0.00000
489 -0.1213 0.00000
490 -0.0990 0.00000
491 -0.0185 0.00000
492 0.0408 0.00000
493 -0.1036 0.00000
494 -0.0585 0.00000
495 -0.0630 0.00000
496 -0.1510 0.00000
497 -0.0214 0.00000
498 -0.0042 0.00000
499 0.0207 0.00000
500 -0.1002 0.00000
501 -0.0243 0.00000
502 -0.0378 0.00000
503 -0.0902 0.00000
504 0.0076 0.00000
505 -0.0524 0.00000
506 -0.0106 0.00000
507 -0.0049 0.00000
508 -0.0181 0.00000
509 -0.0780 0.00000
510 -0.0235 0.00000
511 -0.0058 0.00000
512 0.0041 0.00000
513 -0.0379 0.00000
514 -0.1172 0.00000
515 0.0203 0.00000
516 0.0021 0.00000
517 0.0016 0.00000
518 -0.0418 0.00000
519 -0.0024 0.00000
520 -0.0393 0.00000
521 -0.0414 0.00000
522 0.0407 0.00000
523 0.0255 0.00000
524 -0.0203 0.00000
525 0.0228 0.00000
526 0.0833 0.00000
527 -0.0051 0.00000
528 -0.0083 0.00000
529 0.0812 0.00000
530 0.0057 0.00000
531 -0.0366 0.00000
532 -0.0604 0.00000
533 0.0176 0.00000
534 0.3795 0.00000
535 0.0041 0.00000
536 0.1183 0.00000
537 0.0339 0.00000
538 0.0474 0.00000
539 0.0074 0.00000
540 0.0246 0.00000
541 0.0623 0.00000
542 -0.0258 0.00000
543 -0.0002 0.00000
544 -0.0026 0.00000
545 0.0068 0.00000
546 0.0469 0.00000
547 0.0408 0.00000
548 0.0450 0.00000
549 0.0476 0.00000
550 -0.0464 0.00000
551 0.0258 0.00000
552 0.0245 0.00000
553 -0.0287 0.00000
554 0.0225 0.00000
555 0.0022 0.00000
556 -0.0670 0.00000
557 -0.0478 0.00000
558 0.1141 0.00000
559 -0.0064 0.00000
560 0.0827 0.00000
561 0.0098 0.00000
562 -0.0927 0.00000
563 0.0800 0.00000
564 -0.0763 0.00000
565 0.0560 0.00000
566 -0.0256 0.00000
567 0.0727 0.00000
568 0.0577 0.00000
569 0.0152 0.00000
570 0.0171 0.00000
571 -0.0046 0.00000
572 0.0248 0.00000
573 0.0560 0.00000
574 -0.0177 0.00000
575 0.0936 0.00000
576 0.0048 0.00000
577 0.1304 0.00000
578 0.0362 0.00000
579 0.1225 0.00000
580 0.2315 0.00000
581 0.1856 0.00000
582 0.0584 0.00000
583 0.1364 0.00000
584 0.4850 0.00000
585 0.0012 0.00000
586 0.0723 0.00000
587 -0.0068 0.00000
588 0.0295 0.00000
589 -0.0239 0.00000
590 0.0628 0.00000
591 -0.0157 0.00000
592 0.0509 0.00000
593 0.0403 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1369 0.00000
597 -0.1483 0.00000
598 -0.0280 0.00000
599 0.0116 0.00000
600 -0.0805 0.00000
601 -0.0162 0.00000
602 -0.0258 0.00000
603 -0.0636 0.00000
604 -0.0415 0.00000
605 -0.0233 0.00000
606 0.0633 0.00000
607 -0.0766 0.00000
608 0.0197 0.00000
609 -0.0836 0.00000
610 -0.0107 0.00000
611 0.0038 0.00000
612 -0.0455 0.00000
613 -0.1118 0.00000
614 0.0645 0.00000
615 -0.0410 0.00000
616 0.0533 0.00000
617 0.0874 0.00000
618 -0.0627 0.00000
619 0.0064 0.00000
620 -0.0418 0.00000
621 -0.0132 0.00000
622 -0.0367 0.00000
623 0.0579 0.00000
624 -0.0588 0.00000
625 -0.0562 0.00000
626 0.0383 0.00000
627 -0.0302 0.00000
628 -0.0191 0.00000
629 -0.0415 0.00000
630 0.0066 0.00000
631 -0.0621 0.00000
632 0.0505 0.00000
633 0.0333 0.00000
634 -0.0336 0.00000
635 0.0220 0.00000
636 0.0692 0.00000
637 0.0658 0.00000
638 -0.0349 0.00000
639 -0.0077 0.00000
640 -0.0449 0.00000
641 0.0059 0.00000
642 0.0227 0.00000
643 -0.0153 0.00000
644 -0.0663 0.00000
645 0.0116 0.00000
646 0.0009 0.00000
647 -0.0038 0.00000
648 -0.0424 0.00000
649 0.0220 0.00000
650 -0.0248 0.00000
651 0.0341 0.00000
652 -0.0050 0.00000
653 0.0097 0.00000
654 -0.0379 0.00000
655 -0.0106 0.00000
656 -0.0351 0.00000
657 -0.0606 0.00000
658 0.0449 0.00000
659 -0.0609 0.00000
660 0.0056 0.00000
661 0.0194 0.00000
662 -0.0237 0.00000
663 0.0151 0.00000
664 0.0584 0.00000
665 -0.0098 0.00000
666 -0.0282 0.00000
667 -0.0158 0.00000
668 0.0342 0.00000
669 -0.0203 0.00000
670 -0.0403 0.00000
671 0.0102 0.00000
672 0.0145 0.00000
673 0.0882 0.00000
674 0.0303 0.00000
675 -0.0283 0.00000
676 -0.0181 0.00000
677 0.0095 0.00000
678 0.0079 0.00000
679 -0.0064 0.00000
680 -0.0102 0.00000
681 0.0146 0.00000
682 -0.0092 0.00000
683 -0.0091 0.00000
684 -0.0001 0.00000
685 -0.0294 0.00000
686 0.0506 0.00000
687 -0.0152 0.00000
688 -0.0172 0.00000
689 -0.0217 0.00000
690 0.0649 0.00000
691 0.0257 0.00000
692 -0.0089 0.00000
693 -0.0200 0.00000
694 0.0178 0.00000
695 0.0145 0.00000
696 0.0037 0.00000
697 0.0447 0.00000
698 0.1243 0.00000
699 -0.0125 0.00000
700 0.0141 0.00000
701 0.0040 0.00000
702 0.0545 0.00000
703 0.1154 0.00000
704 0.0364 0.00000
705 0.0077 0.00000
706 -0.0109 0.00000
707 -0.0197 0.00000
708 -0.0093 0.00000
709 0.0662 0.00000
710 0.0092 0.00000
711 -0.0160 0.00000
712 0.0981 0.00000
713 0.0725 0.00000
714 -0.0236 0.00000
715 -0.0392 0.00000
716 0.0029 0.00000
717 -0.0544 0.00000
718 -0.0153 0.00000
719 0.0044 0.00000
720 0.0422 0.00000
721 -0.0059 0.00000
722 -0.0274 0.00000
723 0.0218 0.00000
724 -0.0202 0.00000
725 -0.0158 0.00000
726 0.0039 0.00000
727 -0.0074 0.00000
728 0.0494 0.00000
729 -0.0087 0.00000
730 -0.0315 0.00000
731 -0.0188 0.00000
732 0.0154 0.00000
733 0.0474 0.00000
734 0.0051 0.00000
735 -0.0223 0.00000
736 -0.0346 0.00000
737 0.0468 0.00000
738 -0.0076 0.00000
739 0.0564 0.00000
740 0.0281 0.00000
741 0.0268 0.00000
742 0.0053 0.00000
743 0.0297 0.00000
744 0.0381 0.00000
745 -0.0471 0.00000
746 -0.0237 0.00000
747 -0.0703 0.00000
748 0.0495 0.00000
749 0.0070 0.00000
750 0.0120 0.00000
751 0.0118 0.00000
752 -0.0219 0.00000
753 -0.0196 0.00000
754 0.0281 0.00000
755 0.0441 0.00000
756 -0.0193 0.00000
757 -0.0064 0.00000
758 0.0895 0.00000
759 0.0267 0.00000
760 0.0758 0.00000
761 0.0648 0.00000
762 -0.0373 0.00000
763 0.0323 0.00000
764 0.0261 0.00000
765 -0.0061 0.00000
766 0.0253 0.00000
767 0.0022 0.00000
768 -0.0316 0.00000
769 -0.0162 0.00000
770 0.0344 0.00000
771 -0.0065 0.00000
772 0.0218 0.00000
773 0.0165 0.00000
774 0.0438 0.00000
775 -0.0391 0.00000
776 0.0436 0.00000
777 0.0042 0.00000
778 0.0512 0.00000
779 0.0464 0.00000
780 0.0049 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0912 0.00000
5 -0.1168 0.00000
6 -0.1461 0.00000
7 -0.0270 0.00000
8 -0.0453 0.00000
9 -0.2099 0.00000
10 -0.1030 0.00000
11 -0.1220 0.00000
12 0.0551 0.00000
13 0.0974 0.00000
14 0.0281 0.00000
15 -0.6771 0.00000
16 -0.0941 0.00000
17 0.0142 0.00000
18 0.0094 0.00000
19 0.0754 0.00000
20 0.0753 0.00000
21 -0.0447 0.00000
22 -0.1499 0.00000
23 -0.0097 0.00000
24 -0.0315 0.00000
25 -0.4341 0.00000
26 0.0306 0.00000
27 0.1651 0.00000
28 -0.6520 0.00000
29 -0.0546 0.00000
30 0.2145 0.00000
31 -0.3465 0.00000
32 -0.7036 0.00000
33 -0.0390 0.00000
34 -0.0779 0.00000
35 -0.0292 0.00000
36 -0.4367 0.00000
37 -0.2366 0.00000
38 -0.0043 0.00000
39 -0.2916 0.00000
40 -0.1407 0.00000
41 -0.1404 0.00000
42 -0.2560 0.00000
43 -0.1135 0.00000
44 0.1373 0.00000
45 -0.0241 0.00000
46 0.0178 0.00000
47 -0.4534 0.00000
48 -0.2334 0.00000
49 -0.2035 0.00000
50 -0.0627 0.00000
51 -0.0251 0.00000
52 -0.1781 0.00000
53 -0.0253 0.00000
54 -0.0287 0.00000
55 -0.1495 0.00000
56 -0.1505 0.00000
57 0.0496 0.00000
58 -0.1603 0.00000
59 -0.4481 0.00000
60 0.0313 0.00000
61 -0.6598 0.00000
62 0.0696 0.00000
63 -0.2631 0.00000
64 -0.1317 0.00000
65 -0.0294 0.00000
66 0.1996 0.00000
67 -0.2595 0.00000
68 -0.0250 0.00000
69 -0.0267 0.00000
70 -0.0201 0.00000
71 0.0075 0.00000
72 0.0379 0.00000
73 -0.0347 0.00000
74 -0.0149 0.00000
75 0.1134 0.00000
76 0.0351 0.00000
77 0.0515 0.00000
78 0.1646 0.00000
79 0.1791 0.00000
80 -0.0004 0.00000
81 0.4787 0.00000
82 0.0612 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.1015 0.00000
90 -0.0809 0.00000
91 -0.0831 0.00000
92 -0.1096 0.00000
93 0.0671 0.00000
94 0.0449 0.00000
95 0.0080 0.00000
96 -0.0029 0.00000
97 0.0571 0.00000
98 0.9554 0.00000
99 -0.0307 0.00000
100 0.8012 0.00000
101 0.3640 0.00000
102 -0.0944 0.00000
103 0.3029 0.00000
104 -0.0300 0.00000
105 -0.1042 0.00000
106 -0.0176 0.00000
107 0.0053 0.00000
108 -0.0439 0.00000
109 -0.0419 0.00000
110 -0.0693 0.00000
111 -0.0263 0.00000
112 -0.0909 0.00000
113 -0.0280 0.00000
114 -0.1087 0.00000
115 0.1494 0.00000
116 -0.0209 0.00000
117 0.0813 0.00000
118 -0.0331 0.00000
119 -0.0235 0.00000
120 0.0279 0.00000
121 -0.0452 0.00000
122 0.1917 0.00000
123 -0.0288 0.00000
124 0.1154 0.00000
125 -0.1191 0.00000
126 0.5846 0.00000
127 0.0512 0.00000
128 0.1743 0.00000
129 0.0444 0.00000
130 0.1041 0.00000
131 -0.0720 0.00000
132 0.0234 0.00000
133 0.0089 0.00000
134 -0.1013 0.00000
135 -0.0358 0.00000
136 0.3554 0.00000
137 0.0063 0.00000
138 0.9260 0.00000
139 0.0146 0.00000
140 0.0028 0.00000
141 0.1733 0.00000
142 0.0672 0.00000
143 0.0082 0.00000
144 0.0050 0.00000
145 0.0152 0.00000
146 0.0668 0.00000
147 0.0785 0.00000
148 -0.1257 0.00000
149 -0.1121 0.00000
150 -0.1123 0.00000
151 -0.1786 0.00000
152 0.0513 0.00000
153 -0.1688 0.00000
154 -0.0004 0.00000
155 -0.0605 0.00000
156 -0.2538 0.00000
157 0.0278 0.00000
158 -0.0730 0.00000
159 0.0091 0.00000
160 -0.0324 0.00000
161 -0.1307 0.00000
162 -0.1129 0.00000
163 -0.2164 0.00000
164 -0.0653 0.00000
165 -0.0555 0.00000
166 -0.1459 0.00000
167 -0.2951 0.00000
168 -0.0225 0.00000
169 -0.0130 0.00000
170 0.0308 0.00000
171 -0.0159 0.00000
172 -0.3155 0.00000
173 -0.0217 0.00000
174 -0.0420 0.00000
175 -0.2955 0.00000
176 -0.0830 0.00000
177 -0.1420 0.00000
178 0.0579 0.00000
179 0.0080 0.00000
180 -0.0227 0.00000
181 0.0932 0.00000
182 -0.1395 0.00000
183 -0.0803 0.00000
184 0.0224 0.00000
185 0.0609 0.00000
186 -0.0582 0.00000
187 -0.0696 0.00000
188 -0.3128 0.00000
189 -0.1651 0.00000
190 -0.0844 0.00000
191 -0.0846 0.00000
192 -0.1249 0.00000
193 -0.0692 0.00000
194 0.0267 0.00000
195 -0.0029 0.00000
196 -0.0741 0.00000
197 -0.1461 0.00000
198 0.0612 0.00000
199 0.0429 0.00000
200 -0.0470 0.00000
201 0.0441 0.00000
202 -0.0336 0.00000
203 -0.0521 0.00000
204 -0.1423 0.00000
205 -0.0481 0.00000
206 -0.0341 0.00000
207 -0.0616 0.00000
208 -0.0113 0.00000
209 -0.0634 0.00000
210 -0.3074 0.00000
211 -0.1539 0.00000
212 -0.0657 0.00000
213 0.0544 0.00000
214 -0.0599 0.00000
215 -0.0030 0.00000
216 0.0193 0.00000
217 0.1444 0.00000
218 -0.2318 0.00000
219 -0.0269 0.00000
220 -0.0368 0.00000
221 -0.9207 0.00000
222 -0.2110 0.00000
223 -0.1569 0.00000
224 -0.0824 0.00000
225 0.1020 0.00000
226 0.0644 0.00000
227 0.0828 0.00000
228 -0.0451 0.00000
229 0.0074 0.00000
230 0.0493 0.00000
231 -0.2000 0.00000
232 0.1015 0.00000
233 0.1247 0.00000
234 0.0999 0.00000
235 -0.1040 0.00000
236 -0.0267 0.00000
237 -0.0533 0.00000
238 -0.0635 0.00000
239 0.0213 0.00000
240 -0.0184 0.00000
241 -0.0045 0.00000
242 -0.0509 0.00000
243 0.0673 0.00000
244 -0.0407 0.00000
245 0.0650 0.00000
246 -0.0402 0.00000
247 -0.0372 0.00000
248 -0.0282 0.00000
249 0.0056 0.00000
250 -0.0152 0.00000
251 -0.0060 0.00000
252 0.0607 0.00000
253 -0.0355 0.00000
254 -0.0089 0.00000
255 0.1630 0.00000
256 0.0362 0.00000
257 0.0756 0.00000
258 -0.0742 0.00000
259 0.0624 0.00000
260 0.0613 0.00000
261 0.0130 0.00000
262 0.0393 0.00000
263 -0.0778 0.00000
264 0.0151 0.00000
265 -0.0094 0.00000
266 0.1021 0.00000
267 0.0157 0.00000
268 -0.0458 0.00000
269 -0.0365 0.00000
270 0.0268 0.00000
271 -0.0267 0.00000
272 -0.0506 0.00000
273 -0.1745 0.00000
274 0.1426 0.00000
275 -0.0161 0.00000
276 0.0754 0.00000
277 -0.0639 0.00000
278 0.1120 0.00000
279 -0.0170 0.00000
280 0.0158 0.00000
281 -0.0952 0.00000
282 0.0171 0.00000
283 -0.0222 0.00000
284 0.0408 0.00000
285 -0.0112 0.00000
286 0.0115 0.00000
287 0.0018 0.00000
288 0.0043 0.00000
289 -0.0025 0.00000
290 0.0599 0.00000
291 -0.0323 0.00000
292 -0.0629 0.00000
293 0.0200 0.00000
294 -0.0392 0.00000
295 0.0283 0.00000
296 0.0089 0.00000
297 0.0046 0.00000
298 0.1204 0.00000
299 -0.0642 0.00000
300 0.0897 0.00000
301 -0.0257 0.00000
302 0.0644 0.00000
303 -0.0657 0.00000
304 -0.0016 0.00000
305 -0.0086 0.00000
306 0.0300 0.00000
307 -0.0190 0.00000
308 0.0035 0.00000
309 0.1458 0.00000
310 -0.0825 0.00000
311 0.0445 0.00000
312 0.0274 0.00000
313 0.0009 0.00000
314 -0.0106 0.00000
315 -0.1389 0.00000
316 -0.1215 0.00000
317 -0.0040 0.00000
318 0.0185 0.00000
319 -0.1148 0.00000
320 0.0241 0.00000
321 -0.0156 0.00000
322 0.1414 0.00000
323 0.0337 0.00000
324 0.0389 0.00000
325 0.1693 0.00000
326 -0.0122 0.00000
327 -0.0614 0.00000
328 -0.0418 0.00000
329 0.0042 0.00000
330 0.0125 0.00000
331 0.0630 0.00000
332 0.0291 0.00000
333 0.0139 0.00000
334 -0.0071 0.00000
335 0.0268 0.00000
336 0.1053 0.00000
337 0.0378 0.00000
338 0.0593 0.00000
339 0.0328 0.00000
340 0.2254 0.00000
341 0.0015 0.00000
342 -0.0297 0.00000
343 -0.0183 0.00000
344 -0.0144 0.00000
345 -0.0255 0.00000
346 -0.0426 0.00000
347 -0.0440 0.00000
348 0.0232 0.00000
349 -0.0228 0.00000
350 -0.0058 0.00000
351 -0.0575 0.00000
352 -0.0722 0.00000
353 -0.0044 0.00000
354 -0.0670 0.00000
355 0.0275 0.00000
356 -0.0294 0.00000
357 -0.0418 0.00000
358 -0.0754 0.00000
359 -0.0117 0.00000
360 -0.0153 0.00000
361 0.1041 0.00000
362 0.0480 0.00000
363 0.0454 0.00000
364 -0.0540 0.00000
365 -0.0230 0.00000
366 -0.0804 0.00000
367 0.0130 0.00000
368 -0.0208 0.00000
369 -0.0427 0.00000
370 -0.0254 0.00000
371 -0.0149 0.00000
372 -0.0153 0.00000
373 -0.0342 0.00000
374 -0.0483 0.00000
375 -0.0883 0.00000
376 -0.0061 0.00000
377 0.0115 0.00000
378 -0.0248 0.00000
379 0.0216 0.00000
380 -0.0117 0.00000
381 -0.0070 0.00000
382 0.0885 0.00000
383 -0.0586 0.00000
384 -0.0448 0.00000
385 0.0246 0.00000
386 -0.0141 0.00000
387 -0.0288 0.00000
388 -0.0553 0.00000
389 -0.0453 0.00000
390 0.0108 0.00000
391 -0.1079 0.00000
392 -0.0637 0.00000
393 -0.0203 0.00000
394 -0.1277 0.00000
395 -0.0436 0.00000
396 -0.0690 0.00000
397 -0.0019 0.00000
398 -0.0077 0.00000
399 -0.0097 0.00000
400 -0.0852 0.00000
401 -0.0136 0.00000
402 -0.0176 0.00000
403 -0.1087 0.00000
404 -0.0427 0.00000
405 -0.1024 0.00000
406 -0.0037 0.00000
407 0.0433 0.00000
408 0.1052 0.00000
409 -0.1254 0.00000
410 -0.0679 0.00000
411 -0.0476 0.00000
412 0.0125 0.00000
413 -0.0358 0.00000
414 0.0224 0.00000
415 0.0109 0.00000
416 -0.0119 0.00000
417 -0.0679 0.00000
418 0.0054 0.00000
419 0.0244 0.00000
420 0.0010 0.00000
421 -0.0842 0.00000
422 -0.0910 0.00000
423 -0.0324 0.00000
424 -0.0222 0.00000
425 -0.0514 0.00000
426 0.0208 0.00000
427 -0.0135 0.00000
428 -0.0466 0.00000
429 0.0392 0.00000
430 0.0220 0.00000
431 -0.1005 0.00000
432 -0.0200 0.00000
433 -0.0159 0.00000
434 -0.0542 0.00000
435 -0.0314 0.00000
436 -0.0232 0.00000
437 -0.1486 0.00000
438 0.0558 0.00000
439 -0.0048 0.00000
440 -0.0036 0.00000
441 -0.0236 0.00000
442 -0.1036 0.00000
443 0.0050 0.00000
444 -0.1760 0.00000
445 -0.0447 0.00000
446 -0.0910 0.00000
447 0.0152 0.00000
448 -0.0297 0.00000
449 0.0588 0.00000
450 -0.0414 0.00000
451 -0.0996 0.00000
452 -0.0158 0.00000
453 -0.0416 0.00000
454 -0.0267 0.00000
455 -0.0182 0.00000
456 0.1046 0.00000
457 -0.0584 0.00000
458 -0.0940 0.00000
459 -0.0157 0.00000
460 -0.1837 0.00000
461 0.0183 0.00000
462 -0.1536 0.00000
463 -0.1160 0.00000
464 0.0025 0.00000
465 -0.0887 0.00000
466 -0.0117 0.00000
467 -0.0253 0.00000
468 -0.1111 0.00000
469 -0.0788 0.00000
470 -0.0284 0.00000
471 -0.0822 0.00000
472 -0.0795 0.00000
473 -0.0774 0.00000
474 0.0877 0.00000
475 -0.0506 0.00000
476 -0.0249 0.00000
477 0.0210 0.00000
478 -0.1063 0.00000
479 -0.0298 0.00000
480 -0.1482 0.00000
481 -0.0403 0.00000
482 -0.0289 0.00000
483 -0.0447 0.00000
484 -0.0702 0.00000
485 -0.0543 0.00000
486 -0.2823 0.00000
487 0.0205 0.00000
488 -0.1009 0.00000
489 0.0455 0.00000
490 -0.0433 0.00000
491 -0.0262 0.00000
492 -0.0225 0.00000
493 -0.0516 0.00000
494 -0.0021 0.00000
495 -0.0368 0.00000
496 -0.1945 0.00000
497 -0.0522 0.00000
498 -0.0930 0.00000
499 -0.1068 0.00000
500 -0.0489 0.00000
501 0.0217 0.00000
502 0.0138 0.00000
503 -0.0499 0.00000
504 -0.0310 0.00000
505 0.0026 0.00000
506 0.0046 0.00000
507 -0.0180 0.00000
508 -0.0599 0.00000
509 -0.0143 0.00000
510 -0.0048 0.00000
511 -0.0081 0.00000
512 -0.0219 0.00000
513 -0.0660 0.00000
514 -0.0313 0.00000
515 -0.0053 0.00000
516 -0.0367 0.00000
517 -0.0408 0.00000
518 0.0074 0.00000
519 -0.0045 0.00000
520 -0.0251 0.00000
521 -0.0145 0.00000
522 -0.0098 0.00000
523 0.0623 0.00000
524 -0.0191 0.00000
525 0.0252 0.00000
526 0.0432 0.00000
527 -0.0391 0.00000
528 0.0754 0.00000
529 0.0209 0.00000
530 0.0399 0.00000
531 0.0249 0.00000
532 0.0032 0.00000
533 0.0338 0.00000
534 0.0916 0.00000
535 0.0746 0.00000
536 0.1137 0.00000
537 0.1026 0.00000
538 -0.0176 0.00000
539 0.0146 0.00000
540 0.0962 0.00000
541 -0.0463 0.00000
542 0.0710 0.00000
543 0.0834 0.00000
544 0.0271 0.00000
545 0.0018 0.00000
546 0.0131 0.00000
547 -0.0202 0.00000
548 0.0428 0.00000
549 -0.0402 0.00000
550 -0.0761 0.00000
551 -0.0176 0.00000
552 0.0505 0.00000
553 0.0040 0.00000
554 0.0630 0.00000
555 0.0163 0.00000
556 -0.0824 0.00000
557 0.0487 0.00000
558 0.1176 0.00000
559 -0.0259 0.00000
560 0.0419 0.00000
561 -0.1003 0.00000
562 0.0084 0.00000
563 0.0461 0.00000
564 0.0154 0.00000
565 -0.0190 0.00000
566 0.0219 0.00000
567 0.0005 0.00000
568 0.0096 0.00000
569 0.0944 0.00000
570 0.0410 0.00000
571 0.0225 0.00000
572 0.0083 0.00000
573 0.0481 0.00000
574 0.0746 0.00000
575 0.0081 0.00000
576 0.0373 0.00000
577 0.1053 0.00000
578 0.1188 0.00000
579 0.0345 0.00000
580 0.0524 0.00000
581 0.0254 0.00000
582 0.4671 0.00000
583 -0.0071 0.00000
584 0.5353 0.00000
585 0.0439 0.00000
586 0.0065 0.00000
587 -0.0082 0.00000
588 0.0442 0.00000
589 -0.0242 0.00000
590 0.0436 0.00000
591 0.0044 0.00000
592 0.0490 0.00000
593 0.0415 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1370 0.00000
597 -0.1485 0.00000
598 -0.0224 0.00000
599 0.0206 0.00000
600 -0.0895 0.00000
601 -0.0340 0.00000
602 0.0249 0.00000
603 -0.0764 0.00000
604 -0.0169 0.00000
605 -0.0649 0.00000
606 -0.0196 0.00000
607 -0.0635 0.00000
608 -0.1007 0.00000
609 -0.0121 0.00000
610 0.0363 0.00000
611 0.0363 0.00000
612 0.0329 0.00000
613 -0.0429 0.00000
614 -0.1139 0.00000
615 0.0025 0.00000
616 0.0153 0.00000
617 -0.0109 0.00000
618 -0.0282 0.00000
619 0.1175 0.00000
620 -0.0231 0.00000
621 -0.0469 0.00000
622 0.0467 0.00000
623 -0.0130 0.00000
624 -0.0314 0.00000
625 0.0055 0.00000
626 -0.0315 0.00000
627 -0.0251 0.00000
628 0.0922 0.00000
629 -0.0232 0.00000
630 -0.0098 0.00000
631 -0.0006 0.00000
632 -0.0842 0.00000
633 0.0345 0.00000
634 0.0649 0.00000
635 0.0229 0.00000
636 -0.0663 0.00000
637 -0.0143 0.00000
638 -0.0323 0.00000
639 0.0496 0.00000
640 0.0292 0.00000
641 0.0612 0.00000
642 -0.0230 0.00000
643 -0.0037 0.00000
644 -0.0261 0.00000
645 -0.0091 0.00000
646 -0.0210 0.00000
647 -0.0328 0.00000
648 -0.0413 0.00000
649 -0.0079 0.00000
650 -0.0578 0.00000
651 0.0156 0.00000
652 -0.0152 0.00000
653 -0.0245 0.00000
654 -0.0033 0.00000
655 -0.0777 0.00000
656 -0.0007 0.00000
657 0.0610 0.00000
658 0.0138 0.00000
659 -0.0164 0.00000
660 0.0069 0.00000
661 -0.0176 0.00000
662 0.0102 0.00000
663 0.0233 0.00000
664 -0.0436 0.00000
665 0.0520 0.00000
666 0.0045 0.00000
667 -0.0392 0.00000
668 -0.0333 0.00000
669 0.0661 0.00000
670 -0.0407 0.00000
671 -0.0241 0.00000
672 -0.0406 0.00000
673 -0.0406 0.00000
674 0.0298 0.00000
675 -0.0119 0.00000
676 0.0002 0.00000
677 0.0230 0.00000
678 0.0432 0.00000
679 0.0213 0.00000
680 -0.0538 0.00000
681 0.0129 0.00000
682 -0.0802 0.00000
683 0.0163 0.00000
684 0.0335 0.00000
685 0.0175 0.00000
686 0.1021 0.00000
687 -0.0194 0.00000
688 0.0234 0.00000
689 0.1659 0.00000
690 -0.0101 0.00000
691 0.0149 0.00000
692 0.0198 0.00000
693 0.0198 0.00000
694 0.0139 0.00000
695 -0.0292 0.00000
696 -0.0058 0.00000
697 -0.0302 0.00000
698 -0.0353 0.00000
699 -0.0421 0.00000
700 0.0121 0.00000
701 -0.0094 0.00000
702 0.0230 0.00000
703 0.2187 0.00000
704 -0.0020 0.00000
705 0.0212 0.00000
706 -0.0113 0.00000
707 0.0075 0.00000
708 -0.0394 0.00000
709 0.0376 0.00000
710 0.0196 0.00000
711 -0.0253 0.00000
712 -0.0532 0.00000
713 0.0190 0.00000
714 0.0004 0.00000
715 0.0242 0.00000
716 0.0447 0.00000
717 0.0391 0.00000
718 0.0696 0.00000
719 -0.0078 0.00000
720 -0.0263 0.00000
721 0.0177 0.00000
722 0.0136 0.00000
723 -0.0137 0.00000
724 0.0714 0.00000
725 -0.0133 0.00000
726 0.0077 0.00000
727 -0.0387 0.00000
728 0.0102 0.00000
729 0.0130 0.00000
730 0.0052 0.00000
731 0.0062 0.00000
732 -0.0491 0.00000
733 0.0059 0.00000
734 -0.0248 0.00000
735 0.0429 0.00000
736 0.0444 0.00000
737 -0.0144 0.00000
738 0.0420 0.00000
739 0.0548 0.00000
740 0.0915 0.00000
741 0.0160 0.00000
742 0.0272 0.00000
743 -0.0623 0.00000
744 -0.0073 0.00000
745 0.0091 0.00000
746 -0.0140 0.00000
747 0.0141 0.00000
748 0.0184 0.00000
749 0.0192 0.00000
750 0.0328 0.00000
751 -0.0584 0.00000
752 -0.0343 0.00000
753 0.0346 0.00000
754 0.0584 0.00000
755 -0.0224 0.00000
756 0.0464 0.00000
757 -0.0159 0.00000
758 -0.0222 0.00000
759 -0.0338 0.00000
760 -0.0072 0.00000
761 0.0473 0.00000
762 0.0152 0.00000
763 0.0407 0.00000
764 0.0071 0.00000
765 -0.0295 0.00000
766 0.0792 0.00000
767 -0.0110 0.00000
768 0.0839 0.00000
769 0.0329 0.00000
770 -0.0291 0.00000
771 0.0024 0.00000
772 0.0286 0.00000
773 0.0157 0.00000
774 0.0485 0.00000
775 -0.0972 0.00000
776 0.0379 0.00000
777 0.0628 0.00000
778 0.0065 0.00000
779 -0.0074 0.00000
780 0.0348 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0900 0.00000
5 -0.1186 0.00000
6 -0.1449 0.00000
7 -0.0270 0.00000
8 -0.0454 0.00000
9 -0.2117 0.00000
10 -0.1013 0.00000
11 -0.1231 0.00000
12 0.0552 0.00000
13 0.0972 0.00000
14 0.0283 0.00000
15 -0.6741 0.00000
16 -0.0865 0.00000
17 -0.0419 0.00000
18 0.0648 0.00000
19 0.0708 0.00000
20 0.0803 0.00000
21 -0.0450 0.00000
22 -0.1497 0.00000
23 -0.0276 0.00000
24 -0.2212 0.00000
25 -0.2688 0.00000
26 0.1326 0.00000
27 0.1143 0.00000
28 -0.5201 0.00000
29 -0.0353 0.00000
30 0.2035 0.00000
31 -0.4457 0.00000
32 -0.7832 0.00000
33 -0.0284 0.00000
34 -0.1017 0.00000
35 -0.0285 0.00000
36 -0.2883 0.00000
37 -0.4258 0.00000
38 0.0101 0.00000
39 -0.2854 0.00000
40 -0.1401 0.00000
41 -0.0758 0.00000
42 -0.0865 0.00000
43 -0.1122 0.00000
44 0.5045 0.00000
45 -0.6734 0.00000
46 -0.3111 0.00000
47 -0.0711 0.00000
48 -0.1436 0.00000
49 -0.0732 0.00000
50 -0.1420 0.00000
51 -0.0223 0.00000
52 -0.2755 0.00000
53 -0.0120 0.00000
54 -0.1066 0.00000
55 -0.1341 0.00000
56 -0.1776 0.00000
57 0.0557 0.00000
58 -0.1709 0.00000
59 0.0814 0.00000
60 -0.6847 0.00000
61 -0.0753 0.00000
62 -0.0314 0.00000
63 -0.3943 0.00000
64 -0.1503 0.00000
65 -0.0249 0.00000
66 0.1899 0.00000
67 -0.2458 0.00000
68 -0.0811 0.00000
69 -0.0541 0.00000
70 -0.0110 0.00000
71 0.0051 0.00000
72 0.0378 0.00000
73 -0.0302 0.00000
74 -0.0168 0.00000
75 0.1008 0.00000
76 0.0459 0.00000
77 0.0512 0.00000
78 0.0924 0.00000
79 0.2518 0.00000
80 0.0000 0.00000
81 0.4787 0.00000
82 0.0613 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.0991 0.00000
90 -0.0829 0.00000
91 -0.0931 0.00000
92 -0.0945 0.00000
93 0.0430 0.00000
94 0.0482 0.00000
95 -0.0240 0.00000
96 0.1701 0.00000
97 0.0186 0.00000
98 0.5515 0.00000
99 0.0922 0.00000
100 1.1889 0.00000
101 0.1392 0.00000
102 0.0347 0.00000
103 0.1707 0.00000
104 -0.0178 0.00000
105 -0.1574 0.00000
106 0.0291 0.00000
107 0.0501 0.00000
108 -0.0787 0.00000
109 0.0103 0.00000
110 -0.0658 0.00000
111 -0.0611 0.00000
112 -0.0906 0.00000
113 -0.0739 0.00000
114 0.0555 0.00000
115 -0.0171 0.00000
116 -0.0084 0.00000
117 0.1101 0.00000
118 -0.0288 0.00000
119 0.0066 0.00000
120 0.0073 0.00000
121 -0.0234 0.00000
122 0.1569 0.00000
123 0.0325 0.00000
124 0.0305 0.00000
125 -0.1012 0.00000
126 0.6610 0.00000
127 0.0756 0.00000
128 -0.0494 0.00000
129 0.0376 0.00000
130 0.2251 0.00000
131 -0.0824 0.00000
132 0.0732 0.00000
133 0.0101 0.00000
134 -0.1240 0.00000
135 -0.0416 0.00000
136 0.3654 0.00000
137 -0.0020 0.00000
138 0.9551 0.00000
139 -0.0102 0.00000
140 0.0020 0.00000
141 0.1722 0.00000
142 0.0694 0.00000
143 0.0079 0.00000
144 0.0056 0.00000
145 0.0172 0.00000
146 0.0638 0.00000
147 0.0792 0.00000
148 -0.1132 0.00000
149 -0.1237 0.00000
150 -0.1134 0.00000
151 -0.1577 0.00000
152 0.0308 0.00000
153 -0.2275 0.00000
154 -0.0329 0.00000
155 -0.0264 0.00000
156 -0.0613 0.00000
157 -0.2293 0.00000
158 0.0392 0.00000
159 -0.0471 0.00000
160 -0.0542 0.00000
161 -0.0404 0.00000
162 -0.0769 0.00000
163 0.0679 0.00000
164 -0.4489 0.00000
165 -0.2606 0.00000
166 0.0129 0.00000
167 -0.1109 0.00000
168 -0.1472 0.00000
169 -0.0902 0.00000
170 -0.0050 0.00000
171 -0.0435 0.00000
172 -0.1224 0.00000
173 0.0030 0.00000
174 -0.1529 0.00000
175 -0.2321 0.00000
176 0.0338 0.00000
177 0.0563 0.00000
178 -0.0102 0.00000
179 -0.2201 0.00000
180 -0.0784 0.00000
181 -0.0728 0.00000
182 0.0505 0.00000
183 0.0214 0.00000
184 0.0094 0.00000
185 0.0338 0.00000
186 -0.0755 0.00000
187 -0.0352 0.00000
188 -0.3967 0.00000
189 -0.1311 0.00000
190 -0.0797 0.00000
191 -0.0772 0.00000
192 -0.1078 0.00000
193 0.0032 0.00000
194 -0.0677 0.00000
195 -0.0348 0.00000
196 -0.0384 0.00000
197 -0.0985 0.00000
198 0.1046 0.00000
199 -0.0567 0.00000
200 -0.1099 0.00000
201 0.0168 0.00000
202 -0.0157 0.00000
203 -0.0426 0.00000
204 -0.1094 0.00000
205 -0.0375 0.00000
206 -0.0219 0.00000
207 -0.0284 0.00000
208 -0.0941 0.00000
209 -0.0879 0.00000
210 -0.2106 0.00000
211 -0.1515 0.00000
212 -0.0302 0.00000
213 -0.0454 0.00000
214 -0.0594 0.00000
215 -0.0657 0.00000
216 0.1419 0.00000
217 -0.0012 0.00000
218 0.0410 0.00000
219 -0.6687 0.00000
220 -0.4099 0.00000
221 -0.1205 0.00000
222 -0.0572 0.00000
223 -0.2095 0.00000
224 -0.0653 0.00000
225 0.0796 0.00000
226 0.0517 0.00000
227 0.0798 0.00000
228 -0.0353 0.00000
229 0.0101 0.00000
230 0.0350 0.00000
231 -0.2008 0.00000
232 0.1301 0.00000
233 0.0979 0.00000
234 0.0901 0.00000
235 -0.0930 0.00000
236 -0.0241 0.00000
237 -0.0235 0.00000
238 -0.1093 0.00000
239 -0.0809 0.00000
240 0.0174 0.00000
241 0.0766 0.00000
242 -0.0452 0.00000
243 0.0760 0.00000
244 0.0793 0.00000
245 -0.0543 0.00000
246 -0.0283 0.00000
247 -0.0359 0.00000
248 -0.0337 0.00000
249 -0.0281 0.00000
250 -0.0186 0.00000
251 -0.0222 0.00000
252 0.0745 0.00000
253 -0.0274 0.00000
254 0.0252 0.00000
255 0.1230 0.00000
256 -0.0575 0.00000
257 0.1170 0.00000
258 0.0180 0.00000
259 -0.0302 0.00000
260 0.1249 0.00000
261 -0.0722 0.00000
262 -0.0237 0.00000
263 0.0045 0.00000
264 0.1276 0.00000
265 0.0219 0.00000
266 -0.0358 0.00000
267 -0.0167 0.00000
268 0.0307 0.00000
269 -0.0705 0.00000
270 -0.0173 0.00000
271 -0.0073 0.00000
272 -0.1185 0.00000
273 -0.0969 0.00000
274 0.0685 0.00000
275 0.0219 0.00000
276 0.0691 0.00000
277 0.0378 0.00000
278 0.0648 0.00000
279 -0.0354 0.00000
280 0.0899 0.00000
281 0.0271 0.00000
282 -0.0742 0.00000
283 0.0557 0.00000
284 -0.0459 0.00000
285 0.0593 0.00000
286 -0.0446 0.00000
287 -0.0330 0.00000
288 -0.0311 0.00000
289 -0.0099 0.00000
290 0.1175 0.00000
291 -0.0090 0.00000
292 -0.0276 0.00000
293 -0.0114 0.00000
294 -0.0148 0.00000
295 0.0724 0.00000
296 0.0050 0.00000
297 -0.0090 0.00000
298 0.0460 0.00000
299 -0.0114 0.00000
300 -0.0212 0.00000
301 0.0434 0.00000
302 -0.0006 0.00000
303 -0.0055 0.00000
304 -0.0059 0.00000
305 0.0956 0.00000
306 0.0623 0.00000
307 0.0045 0.00000
308 -0.0212 0.00000
309 -0.0285 0.00000
310 0.0151 0.00000
311 -0.2143 0.00000
312 0.0025 0.00000
313 0.0068 0.00000
314 0.0678 0.00000
315 -0.1158 0.00000
316 -0.0463 0.00000
317 -0.0258 0.00000
318 -0.0392 0.00000
319 -0.0949 0.00000
320 0.0801 0.00000
321 -0.0445 0.00000
322 0.0024 0.00000
323 0.1178 0.00000
324 0.2081 0.00000
325 -0.0778 0.00000
326 0.0346 0.00000
327 0.0842 0.00000
328 0.0013 0.00000
329 0.0828 0.00000
330 0.0164 0.00000
331 0.0024 0.00000
332 0.0004 0.00000
333 0.0215 0.00000
334 0.0267 0.00000
335 0.0618 0.00000
336 -0.0442 0.00000
337 0.1582 0.00000
338 -0.0184 0.00000
339 0.0128 0.00000
340 0.0459 0.00000
341 0.0988 0.00000
342 0.0420 0.00000
343 -0.0200 0.00000
344 -0.0286 0.00000
345 -0.0118 0.00000
346 -0.0255 0.00000
347 0.0134 0.00000
348 -0.0733 0.00000
349 -0.1269 0.00000
350 -0.0421 0.00000
351 0.0534 0.00000
352 -0.0183 0.00000
353 -0.0817 0.00000
354 0.0439 0.00000
355 -0.0711 0.00000
356 0.0036 0.00000
357 0.0512 0.00000
358 -0.0595 0.00000
359 -0.0249 0.00000
360 0.0042 0.00000
361 0.0086 0.00000
362 -0.0230 0.00000
363 -0.0363 0.00000
364 0.0264 0.00000
365 -0.0450 0.00000
366 0.0514 0.00000
367 -0.0564 0.00000
368 -0.0697 0.00000
369 -0.0393 0.00000
370 -0.0151 0.00000
371 -0.0150 0.00000
372 -0.0308 0.00000
373 -0.0251 0.00000
374 -0.0275 0.00000
375 0.0112 0.00000
376 0.0091 0.00000
377 -0.0231 0.00000
378 -0.0022 0.00000
379 -0.0422 0.00000
380 0.0571 0.00000
381 0.0073 0.00000
382 -0.0333 0.00000
383 0.0861 0.00000
384 0.0276 0.00000
385 -0.0140 0.00000
386 -0.0987 0.00000
387 0.1346 0.00000
388 -0.0451 0.00000
389 -0.0348 0.00000
390 -0.1231 0.00000
391 -0.0698 0.00000
392 -0.0929 0.00000
393 -0.0877 0.00000
394 -0.0155 0.00000
395 -0.1151 0.00000
396 -0.0460 0.00000
397 -0.0302 0.00000
398 -0.0246 0.00000
399 -0.0605 0.00000
400 -0.1012 0.00000
401 -0.0617 0.00000
402 -0.0225 0.00000
403 0.0152 0.00000
404 -0.0003 0.00000
405 -0.0679 0.00000
406 0.0122 0.00000
407 0.0029 0.00000
408 -0.0075 0.00000
409 -0.0570 0.00000
410 -0.0347 0.00000
411 -0.0291 0.00000
412 -0.0111 0.00000
413 0.0371 0.00000
414 0.0072 0.00000
415 -0.0615 0.00000
416 -0.0586 0.00000
417 -0.0179 0.00000
418 -0.0309 0.00000
419 0.0027 0.00000
420 0.0045 0.00000
421 -0.1220 0.00000
422 -0.0045 0.00000
423 -0.0105 0.00000
424 -0.0506 0.00000
425 0.0091 0.00000
426 -0.0729 0.00000
427 0.0500 0.00000
428 -0.0559 0.00000
429 -0.1426 0.00000
430 -0.0239 0.00000
431 0.0373 0.00000
432 0.0021 0.00000
433 -0.0842 0.00000
434 -0.0112 0.00000
435 -0.0201 0.00000
436 -0.0539 0.00000
437 -0.0319 0.00000
438 -0.0748 0.00000
439 -0.1664 0.00000
440 -0.0762 0.00000
441 -0.0535 0.00000
442 -0.0432 0.00000
443 -0.0694 0.00000
444 -0.0523 0.00000
445 0.0191 0.00000
446 -0.0865 0.00000
447 0.0293 0.00000
448 -0.0261 0.00000
449 -0.0036 0.00000
450 0.0794 0.00000
451 -0.0765 0.00000
452 -0.0555 0.00000
453 -0.0181 0.00000
454 -0.0574 0.00000
455 -0.0140 0.00000
456 -0.1061 0.00000
457 -0.0509 0.00000
458 -0.0026 0.00000
459 -0.0127 0.00000
460 -0.0323 0.00000
461 -0.0485 0.00000
462 0.0182 0.00000
463 -0.0548 0.00000
464 -0.0488 0.00000
465 -0.0092 0.00000
466 -0.0230 0.00000
467 -0.0642 0.00000
468 -0.0140 0.00000
469 -0.0691 0.00000
470 -0.1251 0.00000
471 0.0051 0.00000
472 -0.1026 0.00000
473 -0.0084 0.00000
474 -0.0588 0.00000
475 0.0351 0.00000
476 -0.0990 0.00000
477 -0.0216 0.00000
478 -0.0178 0.00000
479 -0.0999 0.00000
480 -0.0794 0.00000
481 -0.0161 0.00000
482 -0.0168 0.00000
483 -0.0575 0.00000
484 -0.0515 0.00000
485 -0.0662 0.00000
486 -0.0353 0.00000
487 -0.1491 0.00000
488 -0.0764 0.00000
489 -0.1347 0.00000
490 -0.0266 0.00000
491 -0.1028 0.00000
492 0.0808 0.00000
493 -0.2227 0.00000
494 -0.0418 0.00000
495 -0.0368 0.00000
496 0.0278 0.00000
497 -0.1133 0.00000
498 -0.0946 0.00000
499 -0.0424 0.00000
500 -0.0683 0.00000
501 -0.1136 0.00000
502 -0.0335 0.00000
503 -0.0777 0.00000
504 -0.0047 0.00000
505 -0.0392 0.00000
506 -0.0425 0.00000
507 -0.0042 0.00000
508 -0.0156 0.00000
509 -0.0690 0.00000
510 0.0938 0.00000
511 -0.0356 0.00000
512 -0.0118 0.00000
513 -0.0363 0.00000
514 -0.0887 0.00000
515 0.0228 0.00000
516 0.0001 0.00000
517 -0.0118 0.00000
518 0.0051 0.00000
519 -0.0370 0.00000
520 -0.0307 0.00000
521 -0.0233 0.00000
522 0.0421 0.00000
523 -0.0229 0.00000
524 -0.0510 0.00000
525 0.1725 0.00000
526 0.0239 0.00000
527 -0.0128 0.00000
528 -0.0484 0.00000
529 0.0035 0.00000
530 -0.0090 0.00000
531 0.0373 0.00000
532 0.0129 0.00000
533 0.0597 0.00000
534 0.0295 0.00000
535 0.2838 0.00000
536 0.1411 0.00000
537 0.0354 0.00000
538 0.0256 0.00000
539 0.0193 0.00000
540 0.0279 0.00000
541 -0.0066 0.00000
542 0.0162 0.00000
543 0.0010 0.00000
544 0.0718 0.00000
545 0.0960 0.00000
546 0.0335 0.00000
547 -0.0680 0.00000
548 0.0163 0.00000
549 0.0067 0.00000
550 -0.0004 0.00000
551 -0.0421 0.00000
552 -0.0524 0.00000
553 -0.0172 0.00000
554 0.0016 0.00000
555 -0.0275 0.00000
556 0.0964 0.00000
557 0.0192 0.00000
558 -0.0058 0.00000
559 0.0296 0.00000
560 0.0385 0.00000
561 0.1010 0.00000
562 -0.0718 0.00000
563 0.0332 0.00000
564 -0.1057 0.00000
565 0.0458 0.00000
566 0.0234 0.00000
567 0.0014 0.00000
568 0.0355 0.00000
569 0.0785 0.00000
570 0.0233 0.00000
571 0.0033 0.00000
572 -0.0169 0.00000
573 0.1453 0.00000
574 0.0011 0.00000
575 0.0697 0.00000
576 0.0077 0.00000
577 0.0704 0.00000
578 0.0125 0.00000
579 0.4931 0.00000
580 0.0742 0.00000
581 0.0377 0.00000
582 0.0707 0.00000
583 -0.0154 0.00000
584 0.5068 0.00000
585 0.1024 0.00000
586 0.0367 0.00000
587 -0.0060 0.00000
588 0.0400 0.00000
589 -0.0242 0.00000
590 0.0635 0.00000
591 -0.0142 0.00000
592 0.0490 0.00000
593 0.0393 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1369 0.00000
597 -0.1485 0.00000
598 -0.0277 0.00000
599 0.0245 0.00000
600 -0.0707 0.00000
601 -0.0301 0.00000
602 -0.0594 0.00000
603 -0.0620 0.00000
604 -0.0066 0.00000
605 -0.0865 0.00000
606 0.1633 0.00000
607 -0.0340 0.00000
608 -0.0587 0.00000
609 -0.0166 0.00000
610 -0.0257 0.00000
611 -0.0606 0.00000
612 -0.0300 0.00000
613 -0.0609 0.00000
614 -0.0193 0.00000
615 -0.0413 0.00000
616 -0.0159 0.00000
617 0.0296 0.00000
618 -0.0259 0.00000
619 -0.0186 0.00000
620 -0.0406 0.00000
621 0.0393 0.00000
622 0.0613 0.00000
623 -0.0190 0.00000
624 -0.0384 0.00000
625 -0.0536 0.00000
626 0.0133 0.00000
627 0.0150 0.00000
628 -0.0747 0.00000
629 0.0384 0.00000
630 0.0347 0.00000
631 -0.0225 0.00000
632 0.0524 0.00000
633 -0.0301 0.00000
634 0.0094 0.00000
635 0.0654 0.00000
636 0.0041 0.00000
637 -0.0172 0.00000
638 -0.0573 0.00000
639 0.0113 0.00000
640 0.0256 0.00000
641 -0.0126 0.00000
642 -0.0123 0.00000
643 -0.0136 0.00000
644 0.0109 0.00000
645 -0.0019 0.00000
646 0.0016 0.00000
647 -0.0085 0.00000
648 0.0490 0.00000
649 -0.0752 0.00000
650 -0.0207 0.00000
651 -0.0510 0.00000
652 -0.0197 0.00000
653 -0.0059 0.00000
654 -0.0356 0.00000
655 -0.0720 0.00000
656 -0.0203 0.00000
657 -0.0055 0.00000
658 0.0387 0.00000
659 -0.0163 0.00000
660 0.0016 0.00000
661 -0.0220 0.00000
662 -0.0263 0.00000
663 0.0546 0.00000
664 -0.0969 0.00000
665 0.0395 0.00000
666 -0.0024 0.00000
667 -0.0022 0.00000
668 0.0625 0.00000
669 0.0146 0.00000
670 0.0356 0.00000
671 0.0299 0.00000
672 -0.0342 0.00000
673 0.0251 0.00000
674 -0.0108 0.00000
675 -0.0220 0.00000
676 0.0963 0.00000
677 0.0097 0.00000
678 0.0103 0.00000
679 -0.0459 0.00000
680 0.0063 0.00000
681 0.0228 0.00000
682 0.0031 0.00000
683 -0.0221 0.00000
684 -0.0395 0.00000
685 -0.0099 0.00000
686 -0.0140 0.00000
687 0.0338 0.00000
688 -0.0007 0.00000
689 0.0711 0.00000
690 0.0380 0.00000
691 0.1123 0.00000
692 0.0841 0.00000
693 0.0373 0.00000
694 0.0517 0.00000
695 0.0206 0.00000
696 -0.0056 0.00000
697 0.0177 0.00000
698 0.0171 0.00000
699 -0.0011 0.00000
700 -0.0292 0.00000
701 0.1311 0.00000
702 -0.0549 0.00000
703 -0.0455 0.00000
704 0.0299 0.00000
705 -0.0094 0.00000
706 0.0041 0.00000
707 -0.0399 0.00000
708 -0.0171 0.00000
709 0.0249 0.00000
710 -0.0038 0.00000
711 0.0863 0.00000
712 0.0293 0.00000
713 0.0741 0.00000
714 -0.0363 0.00000
715 -0.0319 0.00000
716 0.1010 0.00000
717 -0.0142 0.00000
718 0.0045 0.00000
719 0.0073 0.00000
720 0.0088 0.00000
721 -0.0432 0.00000
722 -0.0249 0.00000
723 -0.0219 0.00000
724 0.0252 0.00000
725 0.1005 0.00000
726 -0.0103 0.00000
727 0.0286 0.00000
728 -0.0292 0.00000
729 -0.0079 0.00000
730 -0.0655 0.00000
731 -0.0061 0.00000
732 0.0589 0.00000
733 0.0285 0.00000
734 -0.0917 0.00000
735 -0.0097 0.00000
736 -0.0373 0.00000
737 -0.0001 0.00000
738 0.0888 0.00000
739 -0.0174 0.00000
740 0.0388 0.00000
741 -0.0769 0.00000
742 0.0377 0.00000
743 0.0041 0.00000
744 -0.0272 0.00000
745 0.0139 0.00000
746 0.0109 0.00000
747 0.0111 0.00000
748 0.0007 0.00000
749 -0.0064 0.00000
750 -0.0207 0.00000
751 -0.0324 0.00000
752 0.0172 0.00000
753 0.0265 0.00000
754 0.0474 0.00000
755 0.0530 0.00000
756 -0.0320 0.00000
757 -0.0033 0.00000
758 0.0071 0.00000
759 0.0616 0.00000
760 -0.0459 0.00000
761 0.0623 0.00000
762 -0.0299 0.00000
763 0.0805 0.00000
764 0.0714 0.00000
765 -0.0631 0.00000
766 -0.0333 0.00000
767 0.0560 0.00000
768 -0.0026 0.00000
769 -0.0426 0.00000
770 0.0465 0.00000
771 0.0618 0.00000
772 0.0285 0.00000
773 0.0337 0.00000
774 0.0686 0.00000
775 0.0251 0.00000
776 -0.0107 0.00000
777 0.0034 0.00000
778 0.0221 0.00000
779 -0.0075 0.00000
780 0.0016 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.0998 0.00000
2 -0.1169 0.00000
3 -0.1257 0.00000
4 -0.0903 0.00000
5 -0.1183 0.00000
6 -0.1455 0.00000
7 -0.0265 0.00000
8 -0.0452 0.00000
9 -0.2123 0.00000
10 -0.1010 0.00000
11 -0.1231 0.00000
12 0.0554 0.00000
13 0.0972 0.00000
14 0.0283 0.00000
15 -0.6740 0.00000
16 -0.0945 0.00000
17 0.0148 0.00000
18 0.0091 0.00000
19 0.0793 0.00000
20 0.0752 0.00000
21 -0.0454 0.00000
22 -0.1364 0.00000
23 -0.0436 0.00000
24 -0.1070 0.00000
25 -0.4241 0.00000
26 0.1415 0.00000
27 0.0946 0.00000
28 -0.3250 0.00000
29 -0.0390 0.00000
30 0.1011 0.00000
31 -0.5544 0.00000
32 -0.7044 0.00000
33 -0.0387 0.00000
34 -0.0791 0.00000
35 -0.0285 0.00000
36 -0.4289 0.00000
37 -0.2298 0.00000
38 -0.0055 0.00000
39 -0.2776 0.00000
40 -0.1403 0.00000
41 -0.0931 0.00000
42 -0.2139 0.00000
43 -0.1126 0.00000
44 -0.2317 0.00000
45 0.2351 0.00000
46 0.0132 0.00000
47 -0.4542 0.00000
48 -0.2419 0.00000
49 -0.2235 0.00000
50 -0.0278 0.00000
51 -0.0223 0.00000
52 -0.1861 0.00000
53 -0.0118 0.00000
54 -0.0924 0.00000
55 -0.0828 0.00000
56 -0.1418 0.00000
57 0.0558 0.00000
58 -0.2123 0.00000
59 -0.4522 0.00000
60 0.0320 0.00000
61 -0.9635 0.00000
62 0.1958 0.00000
63 -0.0131 0.00000
64 -0.0540 0.00000
65 -0.0160 0.00000
66 0.1669 0.00000
67 -0.3071 0.00000
68 -0.0502 0.00000
69 -0.0544 0.00000
70 -0.0111 0.00000
71 0.0060 0.00000
72 0.0377 0.00000
73 -0.0302 0.00000
74 -0.0167 0.00000
75 0.1039 0.00000
76 0.0422 0.00000
77 0.0480 0.00000
78 0.0923 0.00000
79 0.2562 0.00000
80 -0.0000 0.00000
81 0.4781 0.00000
82 0.0613 0.00000
83 0.0101 0.00000
84 0.0157 0.00000
85 -0.0002 0.00000
86 0.0177 0.00000
87 -0.0121 0.00000
88 -0.2306 0.00000
89 -0.0992 0.00000
90 -0.0836 0.00000
91 -0.0907 0.00000
92 -0.0971 0.00000
93 0.0443 0.00000
94 0.0483 0.00000
95 -0.0236 0.00000
96 0.1607 0.00000
97 0.0128 0.00000
98 0.8110 0.00000
99 0.2062 0.00000
100 0.4837 0.00000
101 0.5539 0.00000
102 -0.0663 0.00000
103 0.1822 0.00000
104 0.0157 0.00000
105 -0.1589 0.00000
106 0.0183 0.00000
107 0.0498 0.00000
108 -0.1031 0.00000
109 0.0158 0.00000
110 -0.0569 0.00000
111 -0.0432 0.00000
112 -0.1033 0.00000
113 -0.0780 0.00000
114 0.0057 0.00000
115 0.0690 0.00000
116 -0.0135 0.00000
117 0.0890 0.00000
118 -0.0334 0.00000
119 0.0233 0.00000
120 -0.0288 0.00000
121 0.0018 0.00000
122 0.1638 0.00000
123 -0.0504 0.00000
124 0.1200 0.00000
125 -0.1069 0.00000
126 0.5664 0.00000
127 0.0574 0.00000
128 0.1435 0.00000
129 0.0319 0.00000
130 0.1437 0.00000
131 -0.0801 0.00000
132 0.0811 0.00000
133 0.0014 0.00000
134 -0.1326 0.00000
135 -0.0413 0.00000
136 0.3445 0.00000
137 -0.0003 0.00000
138 0.9797 0.00000
139 -0.0095 0.00000
140 -0.0030 0.00000
141 0.1753 0.00000
142 0.0694 0.00000
143 0.0074 0.00000
144 0.0052 0.00000
145 0.0178 0.00000
146 0.0632 0.00000
147 0.0792 0.00000
148 -0.1131 0.00000
149 -0.1244 0.00000
150 -0.1148 0.00000
151 -0.1800 0.00000
152 0.0016 0.00000
153 -0.1353 0.00000
154 -0.0046 0.00000
155 -0.0616 0.00000
156 -0.2325 0.00000
157 -0.0385 0.00000
158 -0.0824 0.00000
159 0.0881 0.00000
160 -0.1218 0.00000
161 -0.0318 0.00000
162 -0.1073 0.00000
163 -0.2719 0.00000
164 -0.0524 0.00000
165 0.0937 0.00000
166 -0.4670 0.00000
167 -0.0517 0.00000
168 -0.1138 0.00000
169 -0.1394 0.00000
170 -0.0203 0.00000
171 0.0873 0.00000
172 -0.0838 0.00000
173 -0.1754 0.00000
174 -0.0510 0.00000
175 -0.1748 0.00000
176 -0.0625 0.00000
177 -0.0166 0.00000
178 0.1554 0.00000
179 -0.3170 0.00000
180 0.0408 0.00000
181 -0.1832 0.00000
182 0.0369 0.00000
183 0.0282 0.00000
184 -0.0215 0.00000
185 -0.0032 0.00000
186 0.0220 0.00000
187 -0.0515 0.00000
188 -0.3474 0.00000
189 -0.1651 0.00000
190 -0.0639 0.00000
191 -0.0368 0.00000
192 -0.2095 0.00000
193 -0.0379 0.00000
194 -0.0674 0.00000
195 0.0211 0.00000
196 -0.0671 0.00000
197 -0.0661 0.00000
198 -0.0165 0.00000
199 -0.0756 0.00000
200 0.0562 0.00000
201 -0.0006 0.00000
202 -0.0184 0.00000
203 -0.0130 0.00000
204 -0.0755 0.00000
205 -0.0630 0.00000
206 -0.0412 0.00000
207 -0.0436 0.00000
208 -0.0739 0.00000
209 -0.0577 0.00000
210 -0.2847 0.00000
211 -0.1011 0.00000
212 -0.0691 0.00000
213 -0.0648 0.00000
214 -0.0545 0.00000
215 -0.0354 0.00000
216 0.0226 0.00000
217 -0.0389 0.00000
218 0.1581 0.00000
219 -0.2374 0.00000
220 -1.0502 0.00000
221 0.0165 0.00000
222 -0.0000 0.00000
223 -0.1866 0.00000
224 -0.0259 0.00000
225 0.0823 0.00000
226 0.0462 0.00000
227 0.0732 0.00000
228 -0.0359 0.00000
229 0.0099 0.00000
230 0.0356 0.00000
231 -0.2011 0.00000
232 0.1181 0.00000
233 0.1098 0.00000
234 0.0914 0.00000
235 -0.1015 0.00000
236 -0.0160 0.00000
237 -0.0800 0.00000
238 -0.0610 0.00000
239 -0.0758 0.00000
240 0.0372 0.00000
241 0.0551 0.00000
242 0.0040 0.00000
243 0.0498 0.00000
244 0.0454 0.00000
245 -0.0431 0.00000
246 -0.0261 0.00000
247 -0.0371 0.00000
248 -0.0351 0.00000
249 -0.0124 0.00000
250 -0.0532 0.00000
251 0.0032 0.00000
252 0.0402 0.00000
253 0.0817 0.00000
254 -0.0418 0.00000
255 -0.0015 0.00000
256 0.1662 0.00000
257 -0.0277 0.00000
258 -0.0138 0.00000
259 0.0261 0.00000
260 0.1673 0.00000
261 -0.0186 0.00000
262 -0.0004 0.00000
263 -0.0203 0.00000
264 0.0747 0.00000
265 -0.0067 0.00000
266 -0.0686 0.00000
267 0.0189 0.00000
268 -0.0518 0.00000
269 0.0278 0.00000
270 0.0057 0.00000
271 -0.0357 0.00000
272 -0.1543 0.00000
273 -0.0864 0.00000
274 0.0470 0.00000
275 0.1626 0.00000
276 0.0395 0.00000
277 -0.0275 0.00000
278 0.0708 0.00000
279 -0.0321 0.00000
280 0.1068 0.00000
281 -0.0142 0.00000
282 -0.0511 0.00000
283 0.0435 0.00000
284 0.0026 0.00000
285 -0.0262 0.00000
286 -0.0191 0.00000
287 -0.0686 0.00000
288 0.0123 0.00000
289 0.0798 0.00000
290 -0.0197 0.00000
291 -0.0084 0.00000
292 0.0745 0.00000
293 -0.0399 0.00000
294 -0.0166 0.00000
295 -0.0236 0.00000
296 0.0458 0.00000
297 0.0047 0.00000
298 0.0298 0.00000
299 -0.0023 0.00000
300 0.0023 0.00000
301 0.0376 0.00000
302 -0.0024 0.00000
303 -0.0337 0.00000
304 0.0295 0.00000
305 0.0452 0.00000
306 0.0377 0.00000
307 -0.0464 0.00000
308 -0.0147 0.00000
309 0.0583 0.00000
310 -0.0128 0.00000
311 -0.1637 0.00000
312 0.0431 0.00000
313 0.0506 0.00000
314 0.0197 0.00000
315 -0.0137 0.00000
316 -0.0739 0.00000
317 -0.0360 0.00000
318 -0.0693 0.00000
319 -0.1197 0.00000
320 0.0543 0.00000
321 -0.0442 0.00000
322 0.0156 0.00000
323 0.0312 0.00000
324 0.2387 0.00000
325 -0.0497 0.00000
326 0.1109 0.00000
327 -0.0011 0.00000
328 0.0407 0.00000
329 0.0509 0.00000
330 -0.0646 0.00000
331 -0.0108 0.00000
332 -0.0090 0.00000
333 0.0199 0.00000
334 0.0056 0.00000
335 0.0457 0.00000
336 0.0983 0.00000
337 0.1233 0.00000
338 0.0845 0.00000
339 -0.0077 0.00000
340 0.0419 0.00000
341 0.1085 0.00000
342 -0.0362 0.00000
343 -0.0224 0.00000
344 0.0247 0.00000
345 0.0040 0.00000
346 -0.0978 0.00000
347 -0.0761 0.00000
348 -0.0400 0.00000
349 -0.0563 0.00000
350 -0.0330 0.00000
351 0.0092 0.00000
352 -0.0107 0.00000
353 0.0210 0.00000
354 -0.0393 0.00000
355 -0.0207 0.00000
356 0.0705 0.00000
357 -0.0196 0.00000
358 -0.0700 0.00000
359 -0.0234 0.00000
360 -0.0111 0.00000
361 0.0130 0.00000
362 -0.0107 0.00000
363 0.0125 0.00000
364 -0.0289 0.00000
365 0.0344 0.00000
366 -0.0724 0.00000
367 -0.0464 0.00000
368 0.0006 0.00000
369 -0.0317 0.00000
370 -0.0407 0.00000
371 -0.0519 0.00000
372 0.0044 0.00000
373 -0.0080 0.00000
374 -0.0714 0.00000
375 -0.0186 0.00000
376 0.0199 0.00000
377 0.0020 0.00000
378 0.0265 0.00000
379 -0.0002 0.00000
380 0.0309 0.00000
381 0.0166 0.00000
382 -0.0183 0.00000
383 -0.0003 0.00000
384 -0.0838 0.00000
385 -0.0463 0.00000
386 0.0023 0.00000
387 0.0608 0.00000
388 -0.0204 0.00000
389 -0.0773 0.00000
390 -0.0395 0.00000
391 -0.0502 0.00000
392 -0.0207 0.00000
393 -0.0190 0.00000
394 -0.0341 0.00000
395 -0.1047 0.00000
396 -0.0506 0.00000
397 -0.0152 0.00000
398 -0.1191 0.00000
399 -0.0796 0.00000
400 -0.0479 0.00000
401 -0.0639 0.00000
402 0.0148 0.00000
403 -0.0710 0.00000
404 0.0019 0.00000
405 -0.0057 0.00000
406 -0.0804 0.00000
407 -0.0415 0.00000
408 0.0478 0.00000
409 -0.0122 0.00000
410 -0.0128 0.00000
411 -0.0045 0.00000
412 -0.0383 0.00000
413 0.0080 0.00000
414 -0.0457 0.00000
415 0.0204 0.00000
416 -0.0859 0.00000
417 -0.0369 0.00000
418 -0.0523 0.00000
419 -0.0396 0.00000
420 -0.0061 0.00000
421 -0.0291 0.00000
422 -0.0274 0.00000
423 -0.0673 0.00000
424 -0.0306 0.00000
425 0.0088 0.00000
426 0.0073 0.00000
427 0.0075 0.00000
428 -0.1282 0.00000
429 -0.0260 0.00000
430 0.0039 0.00000
431 -0.1002 0.00000
432 -0.0159 0.00000
433 0.0107 0.00000
434 -0.0861 0.00000
435 -0.0359 0.00000
436 -0.0539 0.00000
437 -0.0187 0.00000
438 -0.0446 0.00000
439 -0.0718 0.00000
440 -0.0138 0.00000
441 -0.0223 0.00000
442 -0.0669 0.00000
443 0.0211 0.00000
444 0.0225 0.00000
445 -0.0982 0.00000
446 -0.1046 0.00000
447 0.0000 0.00000
448 -0.0852 0.00000
449 -0.0192 0.00000
450 -0.1051 0.00000
451 0.0575 0.00000
452 -0.0304 0.00000
453 -0.0570 0.00000
454 -0.1343 0.00000
455 -0.0358 0.00000
456 -0.0123 0.00000
457 0.0234 0.00000
458 -0.1220 0.00000
459 -0.0324 0.00000
460 -0.0120 0.00000
461 -0.0116 0.00000
462 -0.0100 0.00000
463 -0.0129 0.00000
464 -0.0940 0.00000
465 -0.0326 0.00000
466 -0.0299 0.00000
467 0.0345 0.00000
468 -0.0348 0.00000
469 -0.0741 0.00000
470 -0.0762 0.00000
471 -0.0053 0.00000
472 -0.0647 0.00000
473 -0.1179 0.00000
474 -0.0926 0.00000
475 -0.1169 0.00000
476 0.1929 0.00000
477 -0.0062 0.00000
478 0.0030 0.00000
479 -0.0407 0.00000
480 -0.0635 0.00000
481 -0.0580 0.00000
482 -0.0893 0.00000
483 -0.0807 0.00000
484 0.0195 0.00000
485 -0.0837 0.00000
486 -0.0383 0.00000
487 -0.1901 0.00000
488 -0.0900 0.00000
489 -0.1038 0.00000
490 -0.1366 0.00000
491 -0.0567 0.00000
492 -0.0214 0.00000
493 -0.1937 0.00000
494 -0.0336 0.00000
495 -0.1300 0.00000
496 -0.0481 0.00000
497 0.0095 0.00000
498 0.0115 0.00000
499 -0.0302 0.00000
500 -0.0691 0.00000
501 -0.0273 0.00000
502 -0.0842 0.00000
503 -0.0423 0.00000
504 -0.0129 0.00000
505 0.0436 0.00000
506 -0.0172 0.00000
507 -0.0533 0.00000
508 -0.0576 0.00000
509 -0.0565 0.00000
510 -0.0145 0.00000
511 0.0124 0.00000
512 -0.0599 0.00000
513 -0.0220 0.00000
514 -0.0118 0.00000
515 0.0265 0.00000
516 -0.0048 0.00000
517 -0.0237 0.00000
518 -0.0681 0.00000
519 -0.0643 0.00000
520 -0.0229 0.00000
521 -0.0218 0.00000
522 0.0791 0.00000
523 0.1222 0.00000
524 0.0194 0.00000
525 0.0017 0.00000
526 -0.0768 0.00000
527 0.0833 0.00000
528 -0.0494 0.00000
529 0.0646 0.00000
530 0.0056 0.00000
531 -0.0749 0.00000
532 -0.0108 0.00000
533 0.1612 0.00000
534 0.0325 0.00000
535 0.1018 0.00000
536 0.0781 0.00000
537 0.1547 0.00000
538 0.0618 0.00000
539 -0.0068 0.00000
540 0.0776 0.00000
541 -0.0000 0.00000
542 -0.0068 0.00000
543 -0.0050 0.00000
544 0.0395 0.00000
545 0.0182 0.00000
546 0.0605 0.00000
547 -0.0060 0.00000
548 0.0247 0.00000
549 -0.0356 0.00000
550 0.0602 0.00000
551 -0.0546 0.00000
552 -0.0605 0.00000
553 0.0408 0.00000
554 0.0252 0.00000
555 -0.0809 0.00000
556 0.0126 0.00000
557 0.0360 0.00000
558 0.1029 0.00000
559 -0.0099 0.00000
560 0.0470 0.00000
561 0.0191 0.00000
562 0.0074 0.00000
563 -0.0548 0.00000
564 -0.0200 0.00000
565 0.0549 0.00000
566 0.0380 0.00000
567 0.0294 0.00000
568 0.0420 0.00000
569 0.0158 0.00000
570 0.0027 0.00000
571 0.0017 0.00000
572 0.0268 0.00000
573 0.0839 0.00000
574 0.0620 0.00000
575 0.0210 0.00000
576 0.0211 0.00000
577 0.0942 0.00000
578 0.0309 0.00000
579 0.1922 0.00000
580 0.2462 0.00000
581 0.0651 0.00000
582 0.0071 0.00000
583 0.1690 0.00000
584 0.5593 0.00000
585 -0.0195 0.00000
586 0.0412 0.00000
587 -0.0013 0.00000
588 0.0456 0.00000
589 -0.0240 0.00000
590 0.0637 0.00000
591 -0.0146 0.00000
592 0.0493 0.00000
593 0.0403 0.00000
594 -0.0117 0.00000
595 -0.0113 0.00000
596 -0.1369 0.00000
597 -0.1485 0.00000
598 -0.0275 0.00000
599 0.0211 0.00000
600 -0.0396 0.00000
601 -0.1052 0.00000
602 -0.0815 0.00000
603 -0.0146 0.00000
604 -0.0030 0.00000
605 0.1308 0.00000
606 -0.0768 0.00000
607 -0.0698 0.00000
608 0.0220 0.00000
609 -0.0056 0.00000
610 -0.0393 0.00000
611 -0.0057 0.00000
612 -0.0727 0.00000
613 -0.0356 0.00000
614 -0.0300 0.00000
615 -0.1185 0.00000
616 -0.0266 0.00000
617 0.0263 0.00000
618 -0.0240 0.00000
619 0.0131 0.00000
620 -0.0440 0.00000
621 0.0279 0.00000
622 0.0156 0.00000
623 0.0194 0.00000
624 0.0686 0.00000
625 -0.0436 0.00000
626 -0.0301 0.00000
627 -0.0662 0.00000
628 0.0362 0.00000
629 -0.0249 0.00000
630 0.0427 0.00000
631 0.0003 0.00000
632 -0.0188 0.00000
633 0.0040 0.00000
634 -0.0260 0.00000
635 0.0187 0.00000
636 -0.0037 0.00000
637 0.0249 0.00000
638 -0.0331 0.00000
639 0.0735 0.00000
640 0.0099 0.00000
641 0.0205 0.00000
642 0.0590 0.00000
643 0.0287 0.00000
644 -0.0210 0.00000
645 -0.0211 0.00000
646 -0.0007 0.00000
647 -0.0314 0.00000
648 0.0118 0.00000
649 -0.0428 0.00000
650 -0.0709 0.00000
651 0.0052 0.00000
652 0.0244 0.00000
653 -0.0345 0.00000
654 -0.0586 0.00000
655 -0.0306 0.00000
656 0.0108 0.00000
657 -0.0604 0.00000
658 -0.0048 0.00000
659 -0.0316 0.00000
660 0.0619 0.00000
661 -0.0106 0.00000
662 -0.0062 0.00000
663 -0.0331 0.00000
664 -0.0566 0.00000
665 0.0129 0.00000
666 -0.0201 0.00000
667 -0.0225 0.00000
668 0.0439 0.00000
669 0.0857 0.00000
670 0.0295 0.00000
671 0.0003 0.00000
672 -0.0143 0.00000
673 -0.0098 0.00000
674 -0.1032 0.00000
675 0.0045 0.00000
676 -0.0361 0.00000
677 0.0436 0.00000
678 0.0278 0.00000
679 0.0195 0.00000
680 -0.0093 0.00000
681 -0.0197 0.00000
682 0.0634 0.00000
683 0.0053 0.00000
684 0.0313 0.00000
685 -0.0314 0.00000
686 0.0463 0.00000
687 0.0381 0.00000
688 0.0808 0.00000
689 -0.0177 0.00000
690 0.0883 0.00000
691 0.0480 0.00000
692 -0.0019 0.00000
693 0.0652 0.00000
694 -0.0125 0.00000
695 0.0416 0.00000
696 -0.0102 0.00000
697 -0.0149 0.00000
698 0.0186 0.00000
699 0.0340 0.00000
700 0.0322 0.00000
701 0.0032 0.00000
702 -0.0086 0.00000
703 0.0251 0.00000
704 -0.0033 0.00000
705 0.0243 0.00000
706 0.0122 0.00000
707 -0.0012 0.00000
708 -0.0133 0.00000
709 0.0181 0.00000
710 0.0123 0.00000
711 0.0216 0.00000
712 -0.0243 0.00000
713 0.0107 0.00000
714 -0.0073 0.00000
715 0.0149 0.00000
716 0.0041 0.00000
717 -0.0135 0.00000
718 -0.0207 0.00000
719 0.0286 0.00000
720 -0.0232 0.00000
721 -0.0062 0.00000
722 0.0181 0.00000
723 -0.0007 0.00000
724 -0.0419 0.00000
725 -0.0128 0.00000
726 -0.0124 0.00000
727 0.1251 0.00000
728 -0.0328 0.00000
729 0.1293 0.00000
730 0.1061 0.00000
731 -0.0304 0.00000
732 -0.0282 0.00000
733 0.0186 0.00000
734 0.0110 0.00000
735 0.0249 0.00000
736 0.0125 0.00000
737 0.0078 0.00000
738 -0.0455 0.00000
739 -0.0153 0.00000
740 0.0170 0.00000
741 0.0218 0.00000
742 -0.0102 0.00000
743 0.0189 0.00000
744 -0.0935 0.00000
745 -0.0253 0.00000
746 -0.0351 0.00000
747 0.0071 0.00000
748 0.0556 0.00000
749 0.0050 0.00000
750 0.0051 0.00000
751 -0.0305 0.00000
752 -0.0261 0.00000
753 0.0076 0.00000
754 -0.0168 0.00000
755 0.0124 0.00000
756 -0.0418 0.00000
757 0.0184 0.00000
758 0.0104 0.00000
759 0.1177 0.00000
760 -0.0099 0.00000
761 0.0192 0.00000
762 0.0156 0.00000
763 -0.0072 0.00000
764 0.0121 0.00000
765 0.0448 0.00000
766 0.0890 0.00000
767 0.0630 0.00000
768 -0.0507 0.00000
769 -0.0035 0.00000
770 0.0359 0.00000
771 -0.0001 0.00000
772 0.0498 0.00000
773 0.0060 0.00000
774 0.0072 0.00000
775 0.0733 0.00000
776 0.1367 0.00000
777 -0.0151 0.00000
778 0.0038 0.00000
779 -0.0431 0.00000
780 0.0908 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 2 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
19.81451 -1.78568 0.37890
-1.78588 0.58009 3.17705
0.37888 3.17698 -3.84691
POSITION FORCE-CONSTANT FOR ION 2 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.023686 0.115762 0.255471
4.30302 2.15352 7.05746 0.349346 -1.403158 -28.624361
1.30883 4.06731 2.03161 0.781178 0.062979 0.565006
3.96992 4.32885 4.13194 0.307446 -2.275183 1.611113
1.29275 3.05683 8.10201 -1.784889 0.351418 0.742278
3.79636 1.47547 14.70421 -0.034217 0.002140 0.239477
1.24643 4.63551 10.86193 -0.149483 0.389313 0.351068
3.89005 4.20092 12.88287 -0.004570 0.014300 0.317794
1.04482 6.69020 17.44020 0.046200 -0.187899 0.218686
3.77370 7.04599 6.61024 -0.188506 -0.318908 -0.681302
0.71312 9.21049 2.53845 0.060190 -0.039502 0.005396
3.86880 9.70388 4.59023 0.010322 -0.158759 0.028110
1.19399 7.29663 8.75952 0.129958 0.230056 -0.219988
4.14925 6.52609 15.71477 0.057653 0.030983 0.185441
1.16791 10.19708 10.50563 -0.011629 0.016073 0.008573
3.90202 11.30466 11.97145 -0.004737 -0.007894 0.027498
1.41963 13.48240 16.88000 -0.001937 0.032884 0.105423
3.89470 12.50036 6.39588 -0.020518 -0.013578 -0.125621
1.24092 15.65995 2.03746 0.119641 0.116600 0.011648
3.45676 13.88732 3.60018 0.001939 0.068040 -0.040557
1.37686 12.90671 8.69683 0.038264 -0.029324 -0.075150
4.20896 12.98001 14.89140 -0.024143 -0.044004 0.085997
1.28271 15.54574 11.35729 -0.023400 -0.143250 0.066070
4.02704 16.14416 13.12883 -0.070665 -0.047728 0.171875
8.51844 2.13686 0.32759 -0.183765 0.067206 0.119703
10.42520 1.68659 6.72748 0.238412 -0.169530 -0.245188
6.89192 4.41938 2.41726 -0.835153 -0.079565 0.498512
10.22536 4.35381 4.16682 -0.248356 0.018640 -0.145805
7.19238 2.15284 8.75827 2.107575 -0.207608 1.545862
10.67141 2.29852 15.08728 -0.037560 0.038620 0.162547
7.24075 4.59797 11.01224 0.132306 0.466472 0.323929
10.30176 4.56419 12.61212 0.125109 0.014942 0.136377
6.40057 6.85176 0.36515 0.052160 -0.167953 0.238072
9.75325 6.62606 6.90745 -0.004366 0.062563 -0.128554
6.24007 9.67823 1.67645 -0.040810 -0.087988 0.029847
6.65558 7.06042 8.79421 -0.069139 0.152166 -0.160583
11.80692 6.94639 14.05727 0.027253 0.027541 0.073919
6.39955 9.97659 10.34026 -0.003851 0.020769 0.004876
11.03265 10.16848 13.84914 -0.007622 0.005899 0.035566
6.77345 12.10505 16.99256 -0.006120 -0.023212 0.087198
10.32223 13.09442 6.99099 -0.011916 -0.022042 -0.032724
10.59365 15.96480 4.77521 -0.022692 -0.065620 -0.079419
6.94250 12.79247 7.88185 -0.050816 -0.023422 -0.062961
10.18654 12.31147 16.08279 -0.024951 -0.006707 0.037911
7.13888 17.01345 11.20310 0.013802 -0.106575 0.279933
10.37682 0.23169 12.64835 0.100410 0.006171 0.087905
13.24904 1.54346 17.14370 0.008296 0.007846 0.047431
15.89410 1.64185 6.44545 -0.206411 0.092733 -0.375520
12.98857 4.28042 2.14546 -0.011312 0.007783 0.019749
15.96785 4.32998 4.48967 0.154212 0.019162 -0.282874
13.27097 1.52537 8.57426 0.004822 -0.006816 0.066817
16.03461 1.53130 15.21659 0.034012 -0.041846 0.124374
13.37701 3.97590 10.80799 0.010780 0.034813 0.029419
16.23421 4.17555 13.11475 -0.091314 0.004001 0.184565
13.12188 6.75851 16.83328 0.013153 -0.002166 0.050530
16.15350 6.82329 6.57280 -0.008333 0.031045 -0.142903
13.80451 11.28726 3.11364 0.016135 -0.017445 0.006353
16.01530 9.31599 4.57229 0.058122 -0.010800 -0.056113
16.24774 6.95131 14.97400 0.053423 0.033988 0.117663
13.37358 11.10317 11.33384 0.007833 -0.007310 0.024654
16.26481 10.28310 12.82929 0.006404 -0.004110 0.029053
13.02958 12.87265 0.34345 0.000673 -0.007162 0.024345
15.63587 13.81058 6.90598 0.013120 -0.005471 -0.045780
13.11026 15.86276 1.91698 0.009382 -0.003856 -0.003657
16.04847 15.98249 4.25314 0.087553 -0.038123 -0.082631
12.92950 13.50280 9.01948 0.014762 -0.036043 -0.023770
16.03470 13.24150 15.21399 0.025155 -0.020610 0.055970
13.00717 16.52927 10.76204 0.020330 -0.059078 0.020633
15.92967 15.85673 13.13419 -0.035058 -0.004904 0.082928
1.86054 17.36365 1.29865 -0.029468 -0.015852 -0.010208
4.17830 2.73136 5.21241 0.037906 -1.214091 7.509875
3.26426 5.75851 5.24301 -0.116313 0.662902 0.117725
17.49829 1.67854 7.58538 0.453729 0.033041 0.123160
1.16532 17.05709 10.27678 -0.003022 0.088172 -0.017360
3.43296 5.28736 14.40974 -0.005346 -0.026086 -0.087182
5.78979 4.58179 12.35127 0.019084 -0.051387 -0.066864
2.66622 1.96025 16.18884 0.030940 0.003290 -0.090007
17.32027 0.89679 16.51550 -0.027853 -0.003694 -0.067699
0.46199 8.18893 0.93413 -0.003111 0.026288 -0.015976
5.39231 10.11127 3.40660 0.001204 0.023622 -0.004315
2.32066 9.80687 3.44943 -0.013331 0.017327 0.001129
4.91964 7.92130 14.71679 -0.005823 -0.007501 -0.028223
2.68710 7.23238 16.69438 -0.003494 0.011097 -0.049098
0.01020 10.88204 2.02154 -0.010901 0.005690 0.003337
4.21835 0.28129 6.98759 -0.048519 0.306220 3.221446
17.23783 13.81793 8.03064 -0.000714 0.005565 0.021724
4.79582 14.66186 14.12172 0.014992 0.041282 -0.040528
1.82404 14.00413 10.26937 -0.007733 0.040663 0.019534
5.26768 16.92854 11.79676 0.046269 0.048676 -0.105487
10.96027 2.96124 5.34122 -0.003767 0.013349 0.134382
6.97457 3.04582 1.08259 0.142915 -0.066182 -0.112066
10.16898 6.05361 5.08582 0.039395 0.010926 0.067588
8.34039 4.05066 3.68939 0.256782 -0.019632 0.044222
8.74489 2.42632 7.55292 -0.579067 0.116903 0.040391
7.18775 0.35634 9.46384 -0.184720 0.187966 -0.237068
11.47395 4.04892 11.19556 -0.022434 -0.002537 -0.013149
9.15080 2.77757 16.12393 0.057372 -0.022990 -0.059106
7.98734 0.36277 0.04247 0.040384 -0.026615 -0.017175
8.09306 7.37877 7.53063 0.000569 -0.009135 0.035553
5.20414 6.37683 7.73407 0.157862 -0.031032 0.169848
12.25313 11.32613 12.87115 0.003199 0.002035 -0.005483
7.88582 9.71337 11.41294 -0.000109 -0.002279 -0.000132
7.90588 7.26091 16.85699 -0.001054 0.024520 -0.032869
11.07224 14.64349 6.08452 -0.002130 0.011378 0.018713
9.97410 0.03402 5.82220 -0.038792 0.074695 0.089931
11.77786 16.49122 3.26041 -0.007623 0.011617 0.025135
6.65717 11.67689 9.40508 0.004333 0.005470 0.014316
7.76961 15.24886 11.07941 -0.015416 0.038621 -0.066608
8.52712 0.41686 12.29829 -0.044195 0.022817 -0.061103
13.11181 17.12784 0.26607 -0.004181 -0.003442 -0.002511
13.20693 2.50512 1.34897 0.003528 -0.008859 -0.001267
17.29335 3.71694 3.19979 -0.162477 -0.020783 0.032869
14.20035 4.69758 3.69278 -0.014689 -0.008864 0.035308
14.59997 3.56179 12.23787 -0.001261 -0.004893 -0.024837
13.57708 5.48481 0.72232 -0.002582 0.001777 -0.008826
12.29749 8.18631 0.22048 -0.001208 0.000276 -0.002807
16.86596 10.59176 5.62457 -0.006104 0.003877 0.016827
16.66958 8.43890 13.63905 -0.004237 -0.000522 -0.010802
16.67265 11.67449 14.15979 -0.001115 -0.002696 -0.007690
14.70756 7.45696 15.98014 -0.006096 0.000721 -0.016013
16.06899 0.34084 4.92526 0.034338 0.023675 0.068869
14.63768 15.41566 3.05858 -0.013359 0.005360 0.009396
12.21694 15.07373 9.87203 -0.008555 0.020790 0.012076
15.65466 0.14914 13.86557 -0.002561 -0.005904 -0.024004
14.35754 15.71932 11.91759 -0.002201 0.004849 -0.010360
14.30081 12.83268 16.21967 0.002052 0.002754 -0.007455
8.77223 10.39607 2.47225 -0.017387 -0.017643 -0.004773
12.91187 8.54216 10.48161 -0.000262 0.006592 0.002869
8.49467 15.82840 2.99445 -0.033547 0.035009 -0.040150
1.32045 2.68577 1.08043 -0.101658 -0.183512 -0.230843
5.44581 4.42337 3.31859 1.066966 0.528769 -0.881111
2.71895 4.15019 2.95898 -0.956570 0.362045 -0.894102
2.89361 2.63574 7.84048 -5.550245 1.888874 6.435776
3.72928 2.61904 13.46082 0.015918 0.074369 -0.171725
1.12195 3.42722 9.72736 0.191712 -0.199816 -0.328612
2.69176 4.49808 11.70258 -0.032584 -0.072002 -0.192477
1.13271 5.33613 0.95032 -0.128174 0.216569 -0.258805
4.03043 8.42197 5.67301 0.072707 0.203458 0.042191
3.75157 11.03623 5.64253 -0.000554 0.075151 0.059708
2.52170 7.25791 7.75547 -0.172983 0.014052 0.313283
17.39856 7.13193 7.68295 0.014243 -0.052964 0.077712
1.18188 6.06412 9.94036 0.010711 -0.239938 0.084176
1.18202 8.73358 9.65531 -0.016057 -0.035694 0.026899
3.91098 11.84592 13.59643 0.002600 0.004579 -0.025044
5.12928 10.31683 11.41789 0.004793 -0.002145 -0.002132
2.50977 10.51875 11.46580 0.004210 0.001244 0.000671
17.45087 6.59897 16.12377 -0.078054 0.023524 -0.113004
3.55980 13.67281 5.25157 0.006271 -0.027611 0.065142
1.28803 14.62748 0.64715 -0.008919 -0.077093 -0.071399
4.98905 14.24610 3.11864 0.001562 -0.029990 0.004119
2.40264 15.06164 3.08512 -0.027300 -0.051740 -0.003592
2.72172 12.72875 7.62075 -0.052119 0.011535 0.076104
1.06333 11.39589 9.35618 -0.000269 0.005078 0.019020
3.61212 17.43666 14.11103 0.027769 -0.060535 -0.109090
2.61877 15.69429 12.36150 0.019771 0.046117 -0.034860
2.80206 13.36593 15.83914 0.045357 -0.000519 -0.054037
17.47316 13.58140 16.05649 -0.039014 -0.004049 -0.039118
9.77890 2.08644 1.42003 0.070668 -0.020365 -0.010231
11.39452 4.37239 2.86549 0.064109 -0.011438 0.022201
5.75314 2.47184 7.89843 4.536523 1.101849 6.060761
10.58974 3.42804 13.84178 -0.005818 0.039465 -0.103353
7.29963 3.26088 10.01774 -0.223634 -0.306597 -0.436698
10.61644 6.04073 13.30213 -0.042181 -0.050734 -0.051760
8.72282 4.57356 11.93667 -0.151289 -0.051523 -0.118995
6.87268 5.85394 1.60201 0.094293 0.224746 -0.260375
10.69996 7.99849 7.09252 0.000548 -0.007967 0.037626
5.73707 8.23825 1.01832 0.009183 0.075431 -0.017947
10.63831 11.82289 5.95914 0.000533 0.014207 0.023911
12.27791 10.92294 3.59234 -0.003145 0.003589 0.008555
7.82470 9.40720 2.06031 0.032669 0.032842 0.007925
7.06519 5.95381 10.03323 0.026908 -0.231014 0.114944
11.49637 8.56646 14.11248 0.000292 -0.009379 -0.013285
6.22218 8.54831 9.46647 0.011747 -0.029878 0.023377
10.64255 10.88430 15.28736 0.009248 -0.009449 -0.023789
5.27533 6.08183 16.89617 -0.063012 0.023036 -0.132814
6.19392 10.87447 0.49133 0.017269 0.049373 -0.048417
6.63594 13.50144 0.40946 0.010540 -0.011063 -0.024172
9.20318 15.33527 4.12194 0.067312 0.013048 0.070830
8.65369 12.87516 7.41323 0.002492 0.009743 0.021336
5.50203 12.61795 6.94111 0.069209 0.010339 0.062413
10.10713 13.64215 15.27789 0.004805 0.008285 -0.019998
10.67911 0.87544 14.08625 -0.029073 -0.058048 -0.104735
11.60356 17.20368 11.75834 -0.043491 0.015012 -0.001624
8.39118 11.91622 16.60701 0.034123 0.005778 -0.020345
5.50451 12.34914 15.80657 -0.033806 0.026887 -0.051524
15.73327 3.04046 5.55542 0.002711 -0.146799 0.230735
16.46394 5.60663 5.46979 -0.014728 0.027810 0.130581
14.52808 1.45286 7.47168 0.084969 -0.002528 0.032212
11.79275 1.56088 7.78873 -0.088287 0.019568 0.013817
13.32704 0.21681 9.64565 0.003986 0.038779 -0.030811
16.41790 2.90736 14.26355 0.001482 0.053025 -0.084794
13.45171 2.82808 9.57211 0.000912 -0.020040 -0.020075
16.10069 5.57752 13.99343 0.006321 -0.071119 -0.080093
0.00005 4.40711 11.99025 0.141864 -0.019662 -0.164697
14.62884 1.73967 16.17160 -0.002662 -0.000272 -0.032334
11.98368 2.03831 16.06725 -0.009994 -0.001797 -0.042678
15.63239 8.11986 5.68103 -0.006752 -0.026801 0.052375
17.11138 8.55854 3.60414 -0.052584 0.023323 0.037849
14.79559 9.98222 3.60061 -0.020484 0.014587 0.005833
14.83832 6.40254 7.47085 -0.015392 -0.019138 0.042546
10.26118 5.42988 7.96507 -0.009516 -0.083690 0.059701
13.84142 5.42996 10.14226 -0.006511 -0.022888 0.009730
12.90067 9.94534 10.26834 -0.001243 -0.009561 0.000953
17.40760 10.25314 11.57387 0.009100 -0.000173 -0.010432
14.84553 10.65634 12.01294 -0.012853 0.003587 -0.009828
12.09160 6.31793 15.56215 -0.016315 -0.001509 -0.050416
13.66330 11.76838 1.50243 -0.006359 0.010015 -0.007832
15.90808 14.97969 5.66759 -0.011773 -0.008358 0.049270
12.90234 14.38066 1.10662 0.000106 0.000818 0.001719
17.39979 15.79595 3.12260 -0.110668 -0.004490 0.082593
14.24465 13.87010 7.98683 -0.021790 0.009525 0.031272
11.50975 12.98027 8.22780 0.013838 0.012958 0.027480
13.37751 12.44417 10.26044 -0.004601 0.016632 -0.003974
15.76289 14.59733 14.23402 0.000435 0.039237 -0.046064
17.35248 15.55367 12.27553 0.063333 0.023965 -0.059742
11.51892 12.39014 17.28946 -0.002671 0.002698 -0.010372
2.14782 0.44560 2.19550 0.007864 0.003915 -0.006878
3.29477 2.11300 4.94555 0.120188 0.032692 0.762094
2.45654 5.15830 5.71352 0.108504 -0.030315 -0.089302
17.13665 1.28635 8.55333 0.045087 0.035229 0.023088
2.05496 17.16622 9.63831 0.010300 -0.054022 -0.014197
2.76007 4.61458 14.97268 0.009682 -0.006090 0.003515
5.82104 5.64963 12.65472 0.000552 -0.007586 -0.021764
1.99867 2.73895 15.76239 0.000018 0.002581 0.005534
16.62702 0.41219 17.23014 0.003559 0.005159 0.005102
0.53299 8.97932 0.15968 -0.005963 0.011554 0.003194
6.28070 9.99466 4.05905 -0.000645 -0.003572 0.003808
2.80484 10.34140 2.60493 -0.002751 0.005964 0.003065
5.85876 7.59725 14.24081 0.008147 0.004824 0.004676
2.33378 8.07412 16.06384 0.003104 0.009376 -0.001190
0.72196 11.42800 1.39191 0.000384 -0.001154 0.007265
4.17641 17.36384 8.00554 -0.103565 -1.977687 0.171264
0.17664 14.81238 7.80592 0.004408 -0.002268 -0.002679
5.28314 15.15948 14.98492 -0.004130 0.001537 0.003857
1.99589 13.21868 11.02572 -0.005016 0.007407 0.009651
4.90269 16.46159 10.85427 -0.008289 -0.021828 -0.005062
11.44760 2.27402 4.62061 -0.020742 -0.022247 0.027326
6.42001 2.18281 1.50214 -0.000037 0.038098 0.034674
11.20298 6.44871 5.00937 0.005336 0.011783 0.011656
8.23943 2.94593 3.71752 -0.027974 0.019828 0.006137
9.07830 3.43667 7.86385 -0.037029 0.011713 0.031073
8.13841 17.45818 9.05432 -0.039929 0.051753 -0.026831
11.09062 4.59939 10.31069 0.005857 0.004778 -0.001412
8.29143 2.75175 15.42638 -0.005620 0.000391 0.009114
8.82941 17.22992 17.22214 0.000610 -0.014490 -0.000653
7.50840 7.62286 6.62087 -0.001798 -0.012761 0.006192
4.60511 5.74329 8.41778 -0.027611 0.046694 0.032619
12.92668 11.75537 13.63632 -0.000570 -0.001175 0.004049
8.02117 10.55523 12.10517 0.000276 -0.003521 0.005441
8.67556 7.71636 17.49570 -0.004012 -0.002377 0.005647
11.47875 15.24589 6.91703 0.006104 -0.001299 0.007223
9.35972 16.97903 6.56192 -0.007710 -0.015787 -0.005214
11.03713 17.07922 2.67792 -0.003250 -0.000688 0.004874
7.42775 12.08916 10.09180 0.002002 -0.003943 0.008441
7.92017 14.83580 12.09082 -0.004932 0.027634 0.007492
8.50905 1.48718 11.99359 0.008390 -0.000813 0.031598
13.83892 16.58967 17.12637 0.002472 -0.001934 0.006618
14.18064 2.16404 1.76300 0.004703 0.003759 -0.000618
0.22637 2.85420 3.74771 0.042679 0.029118 -0.009379
13.55731 4.46328 4.56374 -0.018424 0.008976 0.001853
13.93368 3.48067 13.12140 0.008043 0.003063 0.004733
14.29477 4.78199 0.25086 0.003539 0.002418 0.007375
12.05112 9.01860 17.04503 -0.000766 0.001479 0.005079
16.27694 10.80430 6.52497 -0.001787 0.001395 0.006933
16.72250 7.84092 12.70809 0.000279 0.003054 -0.001685
0.08131 12.14367 13.72814 0.001189 -0.001380 0.004575
15.18747 8.06134 16.77823 0.002835 -0.005849 0.001821
15.33129 0.80027 4.23469 -0.001756 0.012710 0.032918
15.22283 14.74953 2.39790 0.004130 0.005260 0.007296
11.52991 14.60593 10.60396 0.002807 -0.001475 0.005975
14.54913 0.08259 13.94141 -0.000830 -0.002459 0.000762
13.64918 15.17179 12.57877 0.001763 0.001523 0.004561
14.26990 11.73639 16.04700 0.000988 -0.000066 0.004116
2.83011 17.00291 0.89614 0.000355 -0.001825 0.012536
5.01762 2.19884 4.72481 0.086064 0.023673 0.809505
2.72197 6.40768 4.52960 -0.083648 0.143660 0.097130
0.61592 0.85326 7.17988 -0.030195 -0.036366 -0.035605
1.05804 0.47662 10.87149 -0.019408 -0.003488 0.026917
2.72869 6.02833 13.97220 -0.000351 0.001633 0.004736
6.27365 4.07474 13.21275 -0.011240 -0.004941 -0.006541
3.39789 2.54642 16.78232 -0.004519 -0.009812 0.014570
0.26647 0.03376 15.97352 -0.007009 -0.004566 0.003030
16.86896 8.04953 1.06168 -0.001583 -0.002801 0.001623
5.26691 11.21282 3.35522 0.003698 0.005634 0.003229
1.79651 10.63408 3.97172 0.001410 0.010403 -0.001538
4.24367 8.25477 13.91418 -0.001725 0.006679 -0.000573
3.20146 7.72932 0.04071 0.004467 -0.014494 0.001947
17.29565 11.52683 2.88643 0.001119 0.003638 0.002762
5.09458 17.34903 6.48077 0.096230 0.885868 0.231526
16.80060 13.95067 9.04167 -0.003828 -0.000598 0.007319
5.65314 14.35380 13.49055 0.005549 -0.006260 0.005044
2.85103 14.37043 10.06567 0.001468 -0.003082 -0.003316
4.88020 0.46410 11.72901 -0.007770 0.013496 0.038095
11.82432 3.49932 5.78478 0.008004 -0.013676 0.011960
6.33916 3.40343 0.25044 0.001947 0.008243 0.009325
9.59394 6.71839 4.41200 -0.007169 -0.018434 0.005469
7.91802 4.38505 4.66043 -0.041377 -0.002191 -0.025524
8.23543 2.62518 6.58554 0.030037 0.027014 -0.069507
6.41431 17.32071 8.88054 0.011147 -0.112807 -0.021605
11.14557 3.00954 10.98712 0.003925 -0.007588 0.005457
9.36027 3.86210 16.23230 -0.000657 -0.000435 0.008261
7.53966 17.41529 0.94072 -0.003418 0.015482 0.000808
8.48774 8.36338 7.84778 0.000526 -0.002174 0.008078
5.72768 5.64505 7.08615 -0.040082 0.025759 -0.061128
11.53162 12.14308 12.66419 -0.000326 -0.000424 0.004991
7.77778 8.79967 12.01567 0.000818 0.002809 0.008247
7.67148 7.97660 16.05599 0.009695 0.006354 -0.003806
11.96712 14.11387 5.69832 -0.001436 0.001890 0.002043
9.20674 0.45352 5.13285 -0.002481 -0.002843 0.005959
12.42086 17.27854 3.71166 0.004173 0.002570 -0.000275
5.72984 12.20671 9.71226 -0.001565 -0.002705 0.002786
7.06651 14.59485 10.54611 0.004477 -0.003423 0.000884
8.18003 0.43236 13.34917 -0.009955 -0.003646 -0.004787
12.13433 16.79403 17.35819 -0.001881 0.000020 0.005410
12.47800 1.85419 1.86970 -0.006161 0.001438 -0.001206
16.61133 3.22326 2.47663 -0.041080 -0.008962 0.012641
14.18380 5.80672 3.64923 -0.000603 -0.000382 0.005242
14.87276 2.50739 12.03337 -0.003767 -0.004364 0.008559
14.23243 6.19147 1.27631 0.002163 -0.001840 0.001682
12.93327 8.58137 1.02753 0.001461 -0.001536 0.001917
0.31818 10.15222 5.96061 0.000578 -0.000688 -0.001540
0.23893 8.66414 13.84372 -0.001757 -0.000012 0.007315
17.08408 11.06555 14.99139 -0.001574 0.002354 0.003072
14.24371 8.22849 15.33189 -0.001689 0.003115 0.003547
17.03243 0.72423 4.52831 0.000916 -0.001215 0.007677
14.06257 14.70897 3.69175 -0.001770 -0.001506 0.003441
11.55248 15.52990 9.11606 0.000302 -0.002946 -0.001999
15.79992 0.71375 12.92180 -0.006147 0.001164 -0.003547
14.66771 14.92743 11.20480 -0.004817 -0.001637 0.000375
13.59723 13.22883 15.45681 -0.002475 -0.000634 0.002974
0.28893 16.96969 9.61776 0.005928 -0.005860 0.004342
5.14861 8.79609 15.34428 -0.000708 -0.009058 0.007109
16.57887 10.76457 1.44815 -0.001476 0.000465 0.002267
3.32280 17.43531 6.45000 0.004550 0.913937 0.241414
7.22345 0.33037 16.74849 -0.003325 0.002331 0.007355
8.80270 9.61454 10.81195 0.000442 0.001011 0.003280
8.32656 6.35754 16.39008 -0.001279 -0.003955 0.008341
8.73549 15.20213 10.55252 0.002466 -0.008718 0.005156
11.35757 7.84337 0.68199 0.000330 -0.000540 0.002093
17.07689 11.54135 5.11708 0.001368 -0.002425 0.001297
1.05898 4.30352 7.32607 0.363767 -0.201197 0.007680
4.03509 12.56543 11.20951 0.000797 0.002629 -0.000100
2.98241 12.61908 2.99845 -0.000412 -0.005838 0.008166
13.02951 6.77394 13.23542 -0.003218 -0.003831 -0.004644
9.81405 10.04557 13.02717 0.001096 -0.000304 -0.000197
14.38062 12.44509 3.83928 -0.001644 0.002887 0.004492
15.29130 12.60070 6.14349 0.000592 0.001739 0.010008
1.51212 12.17674 0.04632 -0.000287 -0.003034 -0.008078
5.20365 1.54821 15.21091 0.003588 -0.000821 -0.028981
6.79297 14.20253 8.32851 0.003119 0.007781 0.015747
11.61515 7.96197 6.76612 -0.003110 0.000200 -0.005120
10.25461 10.96603 6.21744 -0.002165 -0.001279 -0.002316
11.90891 11.26603 4.43245 0.002512 -0.002594 -0.004401
8.53540 10.78259 3.48001 -0.000921 0.002866 0.005561
9.76681 9.93079 2.50215 0.002168 -0.001272 0.003414
8.80784 11.23977 1.76494 0.001363 0.004238 0.004972
14.97448 6.01037 8.35394 -0.006370 0.014589 -0.003946
10.93413 4.83383 7.59381 0.015053 0.022010 -0.009744
13.14865 5.92816 9.67432 0.002988 0.009227 -0.000775
12.65000 8.06887 9.52187 -0.000148 0.000548 0.000851
13.90414 8.18239 10.79823 0.000519 0.001196 0.005088
12.16474 8.24325 11.23577 0.000568 0.000751 0.005527
5.27827 14.04824 2.20496 -0.009297 0.007928 0.015682
10.20084 2.92381 1.69633 -0.026948 -0.002600 0.004199
7.46833 14.00510 0.41146 -0.002723 0.005845 0.009153
7.48179 15.39929 3.01468 0.004010 0.010359 0.008481
8.41010 16.93048 3.00754 -0.010236 -0.017003 0.006762
8.99741 15.53505 2.05618 0.005442 -0.006269 0.008528
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 2 DIRECTION 3 : 0.207 -0.447 2.669
rigid augmentation : 0.000 0.000 0.199
ionic contribution : 0.000 0.000 4.000
Berry contribution : 0.207 -0.447 -1.530
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 7/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 10( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258972; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01031758
-V(xc)+E(xc) XCENC = 0.02068847
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03087810
---------------------------------------------------
free energy TOTEN = -0.02050720 eV
energy without entropy = -0.02050720
----------------------------------------- Iteration 10( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258972; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.91566E+00 rms(broyden)= 0.91460E+00
rms(prec ) = 0.99278E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01031758
-V(xc)+E(xc) XCENC = 0.02068847
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353961
---------------------------------------------------
free energy TOTEN = -0.00316871 eV
energy without entropy = -0.00316871
----------------------------------------- Iteration 10( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258967; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258937; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.55874E+00 rms(broyden)= 0.55863E+00
rms(prec ) = 0.61160E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4503
2.4503
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00943226
-V(xc)+E(xc) XCENC = 0.01745508
PAW double counting = 0.01342792 -0.01342986
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01352405
---------------------------------------------------
free energy TOTEN = -0.00550318 eV
energy without entropy = -0.00550318
----------------------------------------- Iteration 10( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258944; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258960; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10510E+00 rms(broyden)= 0.10491E+00
rms(prec ) = 0.13269E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0808
1.7457 2.4158
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00845190
-V(xc)+E(xc) XCENC = 0.01489602
PAW double counting = 0.08714363 -0.08715466
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01375211
---------------------------------------------------
free energy TOTEN = -0.00731902 eV
energy without entropy = -0.00731902
----------------------------------------- Iteration 10( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258931; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258973; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.48031E-01 rms(broyden)= 0.47986E-01
rms(prec ) = 0.64548E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7893
2.6845 0.8628 1.8204
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00811658
-V(xc)+E(xc) XCENC = 0.01438215
PAW double counting = 0.09604313 -0.09605370
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01398403
---------------------------------------------------
free energy TOTEN = -0.00772902 eV
energy without entropy = -0.00772902
----------------------------------------- Iteration 10( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258924; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258980; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.25483E-01 rms(broyden)= 0.25466E-01
rms(prec ) = 0.37083E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7553
2.8237 2.1534 1.0494 0.9947
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00807640
-V(xc)+E(xc) XCENC = 0.01433385
PAW double counting = 0.10022431 -0.10023540
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01400543
---------------------------------------------------
free energy TOTEN = -0.00775907 eV
energy without entropy = -0.00775907
----------------------------------------- Iteration 10( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258917; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258988; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12446E-01 rms(broyden)= 0.12438E-01
rms(prec ) = 0.19508E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8265
3.1429 2.3883 1.7190 0.9412 0.9412
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00806045
-V(xc)+E(xc) XCENC = 0.01435260
PAW double counting = 0.10011656 -0.10012761
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01401248
---------------------------------------------------
free energy TOTEN = -0.00773138 eV
energy without entropy = -0.00773138
----------------------------------------- Iteration 10( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258911; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258994; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.55482E-02 rms(broyden)= 0.55413E-02
rms(prec ) = 0.88264E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8663
3.6117 2.5532 1.8686 1.2632 0.9506 0.9506
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00805582
-V(xc)+E(xc) XCENC = 0.01440035
PAW double counting = 0.09957799 -0.09958900
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01401321
---------------------------------------------------
free energy TOTEN = -0.00767968 eV
energy without entropy = -0.00767968
----------------------------------------- Iteration 10( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258907; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258997; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28828E-02 rms(broyden)= 0.28781E-02
rms(prec ) = 0.40314E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0165
4.2622 2.8018 2.3785 1.5826 1.0719 1.0719 0.9464
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00804802
-V(xc)+E(xc) XCENC = 0.01441629
PAW double counting = 0.09928376 -0.09929475
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01401966
---------------------------------------------------
free energy TOTEN = -0.00766239 eV
energy without entropy = -0.00766239
----------------------------------------- Iteration 10( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258905; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258999; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.92153E-03 rms(broyden)= 0.91827E-03
rms(prec ) = 0.13125E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9852
4.6039 2.8236 2.4964 1.8242 1.1839 1.0188 1.0188 0.9119
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00804791
-V(xc)+E(xc) XCENC = 0.01442076
PAW double counting = 0.09925153 -0.09926256
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01401990
---------------------------------------------------
free energy TOTEN = -0.00765807 eV
energy without entropy = -0.00765807
----------------------------------------- Iteration 10( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258905; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.46962E-03 rms(broyden)= 0.46877E-03
rms(prec ) = 0.70290E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9822
4.7132 2.9912 2.5052 2.1001 1.5633 1.0777 1.0777 0.9366 0.8749
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00804667
-V(xc)+E(xc) XCENC = 0.01441811
PAW double counting = 0.09931175 -0.09932276
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01402270
---------------------------------------------------
free energy TOTEN = -0.00766227 eV
energy without entropy = -0.00766227
----------------------------------------- Iteration 10( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258904; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.19471E-03 rms(broyden)= 0.19438E-03
rms(prec ) = 0.31213E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9947
4.8982 3.3148 2.6430 2.2583 1.7690 1.1057 1.1057 1.0554 0.9308 0.8660
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00804663
-V(xc)+E(xc) XCENC = 0.01441730
PAW double counting = 0.09931873 -0.09932974
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01402359
---------------------------------------------------
free energy TOTEN = -0.00766392 eV
energy without entropy = -0.00766392
----------------------------------------- Iteration 10( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258904; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.92525E-04 rms(broyden)= 0.92375E-04
rms(prec ) = 0.14595E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0114
5.0272 3.6470 2.7616 2.4212 1.8620 1.5185 1.0727 1.0727 0.9673 0.9437
0.8317
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00804697
-V(xc)+E(xc) XCENC = 0.01441730
PAW double counting = 0.09932221 -0.09933323
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01402277
---------------------------------------------------
free energy TOTEN = -0.00766345 eV
energy without entropy = -0.00766345
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0023 0.00000
5 0.0945 0.00000
6 0.0750 0.00000
7 0.0136 0.00000
8 0.0646 0.00000
9 0.1481 0.00000
10 -0.0055 0.00000
11 0.0142 0.00000
12 -0.0419 0.00000
13 -0.1197 0.00000
14 -0.0224 0.00000
15 -0.1064 0.00000
16 -0.0289 0.00000
17 -0.0726 0.00000
18 -0.0025 0.00000
19 -0.0706 0.00000
20 -0.0436 0.00000
21 -0.0082 0.00000
22 0.0419 0.00000
23 0.1487 0.00000
24 0.0086 0.00000
25 -0.0370 0.00000
26 -0.3222 0.00000
27 -0.4435 0.00000
28 -0.0595 0.00000
29 0.0180 0.00000
30 -0.3005 0.00000
31 -0.0225 0.00000
32 -0.0797 0.00000
33 0.1562 0.00000
34 0.2530 0.00000
35 0.1025 0.00000
36 -0.0569 0.00000
37 -0.0780 0.00000
38 -0.0603 0.00000
39 -0.0212 0.00000
40 0.1383 0.00000
41 -0.1242 0.00000
42 0.0153 0.00000
43 0.3105 0.00000
44 -0.8764 0.00000
45 -0.0753 0.00000
46 -0.0632 0.00000
47 0.0573 0.00000
48 -0.0143 0.00000
49 0.0623 0.00000
50 0.0132 0.00000
51 0.0723 0.00000
52 0.0568 0.00000
53 0.0978 0.00000
54 -0.0209 0.00000
55 0.1616 0.00000
56 -0.0303 0.00000
57 0.1785 0.00000
58 -0.0075 0.00000
59 -0.0762 0.00000
60 -0.3408 0.00000
61 -0.2509 0.00000
62 -0.6615 0.00000
63 0.0027 0.00000
64 0.0099 0.00000
65 0.0399 0.00000
66 -0.8089 0.00000
67 0.1530 0.00000
68 -0.0581 0.00000
69 0.0142 0.00000
70 0.0056 0.00000
71 0.4573 0.00000
72 0.1356 0.00000
73 0.0116 0.00000
74 -0.0262 0.00000
75 -0.2229 0.00000
76 -0.1160 0.00000
77 -0.1392 0.00000
78 -0.2260 0.00000
79 -0.4528 0.00000
80 0.0357 0.00000
81 -1.5772 0.00000
82 0.1064 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0409 0.00000
90 -0.0362 0.00000
91 -0.0604 0.00000
92 -0.0416 0.00000
93 0.3228 0.00000
94 0.0747 0.00000
95 0.0323 0.00000
96 0.0677 0.00000
97 0.0501 0.00000
98 -0.1916 0.00000
99 -0.2178 0.00000
100 -0.0170 0.00000
101 -0.3015 0.00000
102 0.2336 0.00000
103 -0.0426 0.00000
104 0.0813 0.00000
105 -0.0399 0.00000
106 0.2659 0.00000
107 0.1476 0.00000
108 1.5314 0.00000
109 0.2445 0.00000
110 0.0909 0.00000
111 0.2391 0.00000
112 0.0392 0.00000
113 0.0673 0.00000
114 -0.1665 0.00000
115 -0.0467 0.00000
116 -0.0549 0.00000
117 -0.2208 0.00000
118 0.1316 0.00000
119 0.0638 0.00000
120 0.1326 0.00000
121 0.3158 0.00000
122 -0.2100 0.00000
123 0.2388 0.00000
124 0.1585 0.00000
125 -0.0447 0.00000
126 -0.2446 0.00000
127 -0.0367 0.00000
128 -0.0442 0.00000
129 0.0183 0.00000
130 0.0950 0.00000
131 0.0158 0.00000
132 -0.0385 0.00000
133 0.2372 0.00000
134 -0.0679 0.00000
135 0.0729 0.00000
136 -0.2322 0.00000
137 -0.0698 0.00000
138 -0.5001 0.00000
139 0.1809 0.00000
140 0.1577 0.00000
141 -0.1529 0.00000
142 0.0186 0.00000
143 0.1965 0.00000
144 0.1870 0.00000
145 0.1499 0.00000
146 0.0410 0.00000
147 -0.0159 0.00000
148 0.0457 0.00000
149 -0.0097 0.00000
150 0.0893 0.00000
151 -0.0071 0.00000
152 -0.0191 0.00000
153 -0.0059 0.00000
154 0.0326 0.00000
155 0.1371 0.00000
156 -0.0709 0.00000
157 0.0267 0.00000
158 -0.4176 0.00000
159 -0.1306 0.00000
160 -0.0662 0.00000
161 -0.0464 0.00000
162 0.0047 0.00000
163 -0.0377 0.00000
164 -0.0610 0.00000
165 0.0522 0.00000
166 0.0116 0.00000
167 0.0486 0.00000
168 -0.1797 0.00000
169 -0.0070 0.00000
170 0.0538 0.00000
171 0.0154 0.00000
172 0.0122 0.00000
173 -0.0055 0.00000
174 -0.0204 0.00000
175 0.0904 0.00000
176 0.0654 0.00000
177 -0.2864 0.00000
178 -0.0337 0.00000
179 0.0359 0.00000
180 -0.1262 0.00000
181 -0.0511 0.00000
182 0.0222 0.00000
183 0.0514 0.00000
184 -0.0449 0.00000
185 -0.0828 0.00000
186 -0.0121 0.00000
187 0.0151 0.00000
188 -0.0247 0.00000
189 -0.0005 0.00000
190 0.0130 0.00000
191 0.0586 0.00000
192 -0.0189 0.00000
193 0.0717 0.00000
194 -0.0757 0.00000
195 0.1846 0.00000
196 -0.1647 0.00000
197 -0.3346 0.00000
198 0.0520 0.00000
199 -0.0319 0.00000
200 -0.0916 0.00000
201 0.0072 0.00000
202 -0.0270 0.00000
203 -0.1747 0.00000
204 -0.5343 0.00000
205 0.0150 0.00000
206 -0.0447 0.00000
207 -0.0083 0.00000
208 0.0181 0.00000
209 0.0055 0.00000
210 0.0081 0.00000
211 0.0202 0.00000
212 -0.0025 0.00000
213 0.0250 0.00000
214 0.0710 0.00000
215 -0.0104 0.00000
216 -0.4560 0.00000
217 -0.1127 0.00000
218 0.3000 0.00000
219 -0.0139 0.00000
220 -0.1211 0.00000
221 -0.0154 0.00000
222 0.0005 0.00000
223 -0.0591 0.00000
224 -0.0114 0.00000
225 -0.0808 0.00000
226 -0.0980 0.00000
227 -0.2230 0.00000
228 0.0423 0.00000
229 0.1637 0.00000
230 -0.0131 0.00000
231 -0.0280 0.00000
232 -0.1822 0.00000
233 -0.1787 0.00000
234 0.0501 0.00000
235 -0.0173 0.00000
236 0.0108 0.00000
237 0.0246 0.00000
238 0.0147 0.00000
239 -0.0042 0.00000
240 -0.0708 0.00000
241 -0.0145 0.00000
242 -0.0360 0.00000
243 -0.0087 0.00000
244 -0.0270 0.00000
245 -0.0103 0.00000
246 -0.0019 0.00000
247 0.0018 0.00000
248 -0.0039 0.00000
249 -0.0155 0.00000
250 0.0142 0.00000
251 0.0180 0.00000
252 -0.0710 0.00000
253 0.0257 0.00000
254 0.0927 0.00000
255 0.0062 0.00000
256 0.0386 0.00000
257 0.0241 0.00000
258 0.2904 0.00000
259 0.0530 0.00000
260 -0.0217 0.00000
261 0.0641 0.00000
262 0.0222 0.00000
263 0.0590 0.00000
264 0.0519 0.00000
265 -0.0398 0.00000
266 -0.0812 0.00000
267 0.1910 0.00000
268 0.0151 0.00000
269 -0.0367 0.00000
270 0.0286 0.00000
271 0.0405 0.00000
272 0.0531 0.00000
273 0.0045 0.00000
274 -0.0182 0.00000
275 0.1051 0.00000
276 -0.0056 0.00000
277 -0.0215 0.00000
278 -0.1669 0.00000
279 0.0338 0.00000
280 0.0135 0.00000
281 -0.0030 0.00000
282 0.0100 0.00000
283 0.0905 0.00000
284 -0.0335 0.00000
285 0.0165 0.00000
286 0.0769 0.00000
287 0.0382 0.00000
288 -0.0008 0.00000
289 0.1789 0.00000
290 0.1338 0.00000
291 -0.0849 0.00000
292 0.0414 0.00000
293 -0.0044 0.00000
294 -0.0170 0.00000
295 0.1762 0.00000
296 0.2736 0.00000
297 0.0026 0.00000
298 -0.0473 0.00000
299 0.0945 0.00000
300 0.0502 0.00000
301 -0.0016 0.00000
302 -0.0109 0.00000
303 0.0188 0.00000
304 0.1654 0.00000
305 0.0321 0.00000
306 0.0054 0.00000
307 0.0072 0.00000
308 0.0143 0.00000
309 -0.0962 0.00000
310 0.0630 0.00000
311 -0.0705 0.00000
312 0.0338 0.00000
313 -0.0308 0.00000
314 -0.0147 0.00000
315 0.1297 0.00000
316 0.0552 0.00000
317 0.0052 0.00000
318 0.0282 0.00000
319 0.0305 0.00000
320 -0.1152 0.00000
321 -0.0397 0.00000
322 -0.0385 0.00000
323 -0.0336 0.00000
324 0.0854 0.00000
325 0.0093 0.00000
326 0.0033 0.00000
327 -0.0360 0.00000
328 -0.0552 0.00000
329 0.0056 0.00000
330 -0.0398 0.00000
331 -0.0153 0.00000
332 -0.1123 0.00000
333 0.0227 0.00000
334 -0.0045 0.00000
335 -0.0307 0.00000
336 -0.1257 0.00000
337 -0.0375 0.00000
338 0.0300 0.00000
339 -0.0798 0.00000
340 0.0357 0.00000
341 0.0199 0.00000
342 -0.0483 0.00000
343 0.0583 0.00000
344 -0.0382 0.00000
345 -0.0518 0.00000
346 -0.0058 0.00000
347 -0.0219 0.00000
348 0.0029 0.00000
349 -0.0186 0.00000
350 -0.0059 0.00000
351 0.0562 0.00000
352 -0.0081 0.00000
353 0.0143 0.00000
354 0.0238 0.00000
355 0.0539 0.00000
356 0.1408 0.00000
357 0.0560 0.00000
358 -0.0043 0.00000
359 -0.0204 0.00000
360 0.0415 0.00000
361 0.0376 0.00000
362 0.0054 0.00000
363 0.0185 0.00000
364 -0.0259 0.00000
365 -0.0000 0.00000
366 -0.0183 0.00000
367 0.0260 0.00000
368 -0.0589 0.00000
369 0.0638 0.00000
370 -0.0173 0.00000
371 -0.0044 0.00000
372 0.0573 0.00000
373 0.0481 0.00000
374 -0.0061 0.00000
375 0.0387 0.00000
376 0.0376 0.00000
377 0.0510 0.00000
378 0.0018 0.00000
379 -0.0479 0.00000
380 -0.0272 0.00000
381 -0.0557 0.00000
382 0.1309 0.00000
383 0.0016 0.00000
384 -0.0048 0.00000
385 0.0515 0.00000
386 0.0682 0.00000
387 0.0242 0.00000
388 0.0224 0.00000
389 -0.0075 0.00000
390 -0.0338 0.00000
391 -0.0222 0.00000
392 -0.0229 0.00000
393 0.0028 0.00000
394 0.0603 0.00000
395 -0.0278 0.00000
396 -0.0191 0.00000
397 -0.0166 0.00000
398 0.0445 0.00000
399 -0.0256 0.00000
400 -0.0086 0.00000
401 -0.0473 0.00000
402 -0.0131 0.00000
403 0.0280 0.00000
404 -0.0360 0.00000
405 0.0541 0.00000
406 -0.0098 0.00000
407 -0.0633 0.00000
408 -0.0115 0.00000
409 -0.0565 0.00000
410 0.0587 0.00000
411 0.0018 0.00000
412 -0.0006 0.00000
413 -0.0612 0.00000
414 -0.0550 0.00000
415 -0.0217 0.00000
416 -0.0960 0.00000
417 -0.0986 0.00000
418 -0.0255 0.00000
419 0.0341 0.00000
420 -0.0171 0.00000
421 -0.0473 0.00000
422 0.0103 0.00000
423 -0.0144 0.00000
424 -0.0363 0.00000
425 -0.0452 0.00000
426 -0.0333 0.00000
427 -0.0126 0.00000
428 0.0104 0.00000
429 -0.0430 0.00000
430 0.0557 0.00000
431 -0.0258 0.00000
432 0.0444 0.00000
433 -0.0781 0.00000
434 -0.0543 0.00000
435 0.0263 0.00000
436 -0.0013 0.00000
437 -0.0344 0.00000
438 0.0139 0.00000
439 -0.0420 0.00000
440 -0.0529 0.00000
441 0.0086 0.00000
442 -0.0551 0.00000
443 0.0565 0.00000
444 0.0860 0.00000
445 -0.0349 0.00000
446 0.0074 0.00000
447 0.0024 0.00000
448 0.0339 0.00000
449 -0.1188 0.00000
450 -0.0174 0.00000
451 -0.0394 0.00000
452 0.0934 0.00000
453 -0.1344 0.00000
454 0.0377 0.00000
455 -0.0167 0.00000
456 0.0143 0.00000
457 -0.0147 0.00000
458 0.0001 0.00000
459 0.0034 0.00000
460 0.0474 0.00000
461 0.0813 0.00000
462 0.0185 0.00000
463 -0.1181 0.00000
464 0.0697 0.00000
465 0.0279 0.00000
466 0.0452 0.00000
467 0.0683 0.00000
468 -0.0489 0.00000
469 -0.0870 0.00000
470 -0.0157 0.00000
471 0.0651 0.00000
472 -0.2172 0.00000
473 -0.0941 0.00000
474 -0.1416 0.00000
475 -0.0038 0.00000
476 -0.0576 0.00000
477 -0.1650 0.00000
478 -0.0834 0.00000
479 0.0045 0.00000
480 -0.2264 0.00000
481 -0.0273 0.00000
482 0.0859 0.00000
483 -0.0444 0.00000
484 -0.1375 0.00000
485 -0.0059 0.00000
486 0.0113 0.00000
487 0.0070 0.00000
488 0.0224 0.00000
489 0.0560 0.00000
490 -0.1208 0.00000
491 0.1027 0.00000
492 0.0083 0.00000
493 -0.0613 0.00000
494 -0.0637 0.00000
495 0.0005 0.00000
496 -0.0846 0.00000
497 -0.0436 0.00000
498 0.0600 0.00000
499 -0.0307 0.00000
500 -0.0182 0.00000
501 0.0114 0.00000
502 0.0284 0.00000
503 -0.0182 0.00000
504 -0.0305 0.00000
505 0.0113 0.00000
506 -0.0448 0.00000
507 -0.0596 0.00000
508 0.0137 0.00000
509 0.0279 0.00000
510 0.0580 0.00000
511 -0.1520 0.00000
512 -0.0301 0.00000
513 0.0142 0.00000
514 0.0200 0.00000
515 0.0400 0.00000
516 -0.1816 0.00000
517 0.0098 0.00000
518 -0.0507 0.00000
519 0.0015 0.00000
520 0.0778 0.00000
521 0.0119 0.00000
522 -0.0411 0.00000
523 0.0495 0.00000
524 0.0339 0.00000
525 -0.0321 0.00000
526 0.0470 0.00000
527 0.1149 0.00000
528 -0.0990 0.00000
529 -0.1269 0.00000
530 -0.0299 0.00000
531 0.0054 0.00000
532 0.0181 0.00000
533 0.0513 0.00000
534 -0.0622 0.00000
535 -0.0251 0.00000
536 -0.0139 0.00000
537 -0.1308 0.00000
538 -0.0188 0.00000
539 -0.1102 0.00000
540 0.1030 0.00000
541 -0.0143 0.00000
542 0.0193 0.00000
543 -0.0078 0.00000
544 0.1395 0.00000
545 0.0972 0.00000
546 0.0524 0.00000
547 0.0066 0.00000
548 -0.0854 0.00000
549 -0.0089 0.00000
550 0.0210 0.00000
551 0.0506 0.00000
552 0.0108 0.00000
553 0.0944 0.00000
554 0.0449 0.00000
555 0.1050 0.00000
556 -0.1185 0.00000
557 0.0755 0.00000
558 0.0523 0.00000
559 0.0635 0.00000
560 -0.0395 0.00000
561 0.0252 0.00000
562 0.0351 0.00000
563 0.1960 0.00000
564 -0.0323 0.00000
565 -0.0062 0.00000
566 0.0617 0.00000
567 -0.0872 0.00000
568 -0.0038 0.00000
569 0.1304 0.00000
570 -0.0723 0.00000
571 0.0188 0.00000
572 0.0534 0.00000
573 0.1297 0.00000
574 0.0024 0.00000
575 -0.0323 0.00000
576 -0.0846 0.00000
577 -0.0428 0.00000
578 0.1304 0.00000
579 -0.1295 0.00000
580 0.0409 0.00000
581 0.0374 0.00000
582 -0.0236 0.00000
583 -0.0578 0.00000
584 -0.2935 0.00000
585 -0.1689 0.00000
586 -0.1039 0.00000
587 0.1078 0.00000
588 0.0746 0.00000
589 -0.0026 0.00000
590 0.0757 0.00000
591 0.0407 0.00000
592 -0.0041 0.00000
593 -0.0348 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0004 0.00000
597 0.0011 0.00000
598 0.0037 0.00000
599 0.0036 0.00000
600 0.0309 0.00000
601 0.0467 0.00000
602 -0.0217 0.00000
603 0.0457 0.00000
604 0.0200 0.00000
605 0.0779 0.00000
606 0.0219 0.00000
607 -0.0506 0.00000
608 0.0501 0.00000
609 -0.0080 0.00000
610 0.0939 0.00000
611 -0.0099 0.00000
612 0.0274 0.00000
613 -0.0316 0.00000
614 0.0212 0.00000
615 0.0104 0.00000
616 -0.0154 0.00000
617 -0.0244 0.00000
618 -0.0117 0.00000
619 0.0751 0.00000
620 0.0481 0.00000
621 0.0626 0.00000
622 0.0117 0.00000
623 -0.0575 0.00000
624 -0.0049 0.00000
625 0.0011 0.00000
626 -0.0052 0.00000
627 -0.0527 0.00000
628 -0.0238 0.00000
629 0.0435 0.00000
630 0.0202 0.00000
631 0.0513 0.00000
632 0.0252 0.00000
633 0.0049 0.00000
634 0.0198 0.00000
635 -0.0294 0.00000
636 -0.0103 0.00000
637 0.0451 0.00000
638 -0.0424 0.00000
639 0.0352 0.00000
640 -0.0364 0.00000
641 0.0264 0.00000
642 -0.0647 0.00000
643 0.0128 0.00000
644 0.0393 0.00000
645 0.0088 0.00000
646 -0.0167 0.00000
647 0.0188 0.00000
648 0.0024 0.00000
649 -0.0126 0.00000
650 0.0293 0.00000
651 0.0675 0.00000
652 0.0507 0.00000
653 0.0096 0.00000
654 0.0073 0.00000
655 -0.0091 0.00000
656 0.0305 0.00000
657 0.1196 0.00000
658 -0.0140 0.00000
659 0.0010 0.00000
660 0.0006 0.00000
661 0.0078 0.00000
662 0.0977 0.00000
663 0.0343 0.00000
664 0.0603 0.00000
665 0.0281 0.00000
666 -0.0519 0.00000
667 0.0043 0.00000
668 0.0537 0.00000
669 -0.0046 0.00000
670 -0.0787 0.00000
671 0.0104 0.00000
672 -0.0043 0.00000
673 0.0126 0.00000
674 0.0349 0.00000
675 0.0134 0.00000
676 0.0473 0.00000
677 0.0424 0.00000
678 0.0903 0.00000
679 -0.0191 0.00000
680 0.1214 0.00000
681 -0.0029 0.00000
682 -0.0798 0.00000
683 0.0361 0.00000
684 0.0675 0.00000
685 0.0967 0.00000
686 0.0185 0.00000
687 -0.0635 0.00000
688 0.0339 0.00000
689 0.0117 0.00000
690 0.0054 0.00000
691 -0.0144 0.00000
692 0.0274 0.00000
693 0.0287 0.00000
694 0.0828 0.00000
695 0.0364 0.00000
696 0.0087 0.00000
697 -0.0219 0.00000
698 0.0154 0.00000
699 0.0063 0.00000
700 0.0391 0.00000
701 0.0414 0.00000
702 -0.0176 0.00000
703 0.0395 0.00000
704 0.0143 0.00000
705 -0.0247 0.00000
706 -0.0336 0.00000
707 0.0088 0.00000
708 0.0259 0.00000
709 -0.0680 0.00000
710 0.0053 0.00000
711 -0.0071 0.00000
712 0.0994 0.00000
713 -0.0268 0.00000
714 -0.0042 0.00000
715 0.0954 0.00000
716 -0.0669 0.00000
717 0.0213 0.00000
718 -0.0682 0.00000
719 0.0187 0.00000
720 0.0041 0.00000
721 -0.0254 0.00000
722 -0.0067 0.00000
723 0.0331 0.00000
724 -0.0231 0.00000
725 0.0308 0.00000
726 -0.0368 0.00000
727 0.0251 0.00000
728 0.0005 0.00000
729 -0.0084 0.00000
730 -0.0293 0.00000
731 0.0242 0.00000
732 -0.0065 0.00000
733 -0.0082 0.00000
734 0.0210 0.00000
735 0.0393 0.00000
736 -0.0389 0.00000
737 -0.0078 0.00000
738 -0.0047 0.00000
739 -0.0288 0.00000
740 -0.0129 0.00000
741 0.0243 0.00000
742 0.0200 0.00000
743 -0.0084 0.00000
744 0.0594 0.00000
745 0.0195 0.00000
746 -0.0248 0.00000
747 -0.0028 0.00000
748 -0.0086 0.00000
749 0.0173 0.00000
750 -0.0558 0.00000
751 0.0042 0.00000
752 -0.0711 0.00000
753 -0.0195 0.00000
754 0.0132 0.00000
755 0.0073 0.00000
756 -0.0485 0.00000
757 -0.1564 0.00000
758 0.0077 0.00000
759 0.0269 0.00000
760 0.0439 0.00000
761 0.0204 0.00000
762 0.0297 0.00000
763 0.0149 0.00000
764 0.0890 0.00000
765 -0.0197 0.00000
766 0.0547 0.00000
767 0.0006 0.00000
768 -0.0008 0.00000
769 -0.0441 0.00000
770 0.0071 0.00000
771 0.0101 0.00000
772 0.2104 0.00000
773 -0.0219 0.00000
774 0.1027 0.00000
775 0.0393 0.00000
776 0.0660 0.00000
777 -0.0251 0.00000
778 0.0113 0.00000
779 0.0006 0.00000
780 0.0294 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0058 0.00000
5 0.0979 0.00000
6 0.0753 0.00000
7 0.0131 0.00000
8 0.0647 0.00000
9 0.1473 0.00000
10 -0.0045 0.00000
11 0.0144 0.00000
12 -0.0424 0.00000
13 -0.1197 0.00000
14 -0.0225 0.00000
15 -0.1064 0.00000
16 -0.0289 0.00000
17 -0.0733 0.00000
18 -0.0006 0.00000
19 -0.0805 0.00000
20 -0.0363 0.00000
21 -0.0081 0.00000
22 0.0430 0.00000
23 0.1398 0.00000
24 0.0165 0.00000
25 -0.0022 0.00000
26 -0.6766 0.00000
27 -0.1187 0.00000
28 -0.0751 0.00000
29 0.0261 0.00000
30 -0.2745 0.00000
31 -0.0438 0.00000
32 -0.0804 0.00000
33 0.1554 0.00000
34 0.2525 0.00000
35 0.1021 0.00000
36 -0.0553 0.00000
37 -0.0788 0.00000
38 -0.0588 0.00000
39 -0.0190 0.00000
40 0.1377 0.00000
41 -0.1237 0.00000
42 -0.0534 0.00000
43 0.3027 0.00000
44 -0.8428 0.00000
45 -0.0467 0.00000
46 -0.0220 0.00000
47 0.0264 0.00000
48 -0.0139 0.00000
49 0.0553 0.00000
50 0.0195 0.00000
51 0.0548 0.00000
52 0.0753 0.00000
53 0.0813 0.00000
54 0.0579 0.00000
55 0.1059 0.00000
56 -0.0364 0.00000
57 0.1753 0.00000
58 -0.0026 0.00000
59 -0.1061 0.00000
60 -0.3205 0.00000
61 -0.4066 0.00000
62 -0.3178 0.00000
63 -0.1928 0.00000
64 0.0378 0.00000
65 -0.0695 0.00000
66 -0.6920 0.00000
67 -0.0410 0.00000
68 0.1277 0.00000
69 0.0045 0.00000
70 0.0004 0.00000
71 0.4574 0.00000
72 0.1360 0.00000
73 0.0207 0.00000
74 -0.0358 0.00000
75 -0.3100 0.00000
76 -0.0213 0.00000
77 -0.1391 0.00000
78 -0.2058 0.00000
79 -0.4778 0.00000
80 0.0354 0.00000
81 -1.5768 0.00000
82 0.1060 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0423 0.00000
90 -0.0349 0.00000
91 -0.0533 0.00000
92 -0.0535 0.00000
93 0.3128 0.00000
94 0.0820 0.00000
95 0.0591 0.00000
96 0.0276 0.00000
97 0.0385 0.00000
98 -0.2559 0.00000
99 -0.1396 0.00000
100 -0.0384 0.00000
101 -0.2604 0.00000
102 0.2744 0.00000
103 -0.1612 0.00000
104 0.1358 0.00000
105 0.0543 0.00000
106 0.2199 0.00000
107 0.0364 0.00000
108 1.4702 0.00000
109 0.4063 0.00000
110 0.0728 0.00000
111 0.2392 0.00000
112 0.0294 0.00000
113 0.0642 0.00000
114 -0.1911 0.00000
115 -0.0370 0.00000
116 -0.0301 0.00000
117 -0.2148 0.00000
118 0.1421 0.00000
119 0.0606 0.00000
120 0.1366 0.00000
121 0.1382 0.00000
122 -0.0519 0.00000
123 0.2312 0.00000
124 0.0764 0.00000
125 0.0647 0.00000
126 -0.2814 0.00000
127 0.0347 0.00000
128 -0.0408 0.00000
129 0.0238 0.00000
130 -0.0239 0.00000
131 0.0260 0.00000
132 -0.0918 0.00000
133 0.3488 0.00000
134 -0.0730 0.00000
135 0.0735 0.00000
136 -0.2272 0.00000
137 -0.0715 0.00000
138 -0.5089 0.00000
139 0.1805 0.00000
140 0.1629 0.00000
141 -0.1526 0.00000
142 0.0065 0.00000
143 0.2041 0.00000
144 0.1878 0.00000
145 0.1420 0.00000
146 0.0507 0.00000
147 -0.0181 0.00000
148 0.0566 0.00000
149 -0.0184 0.00000
150 0.0843 0.00000
151 -0.0035 0.00000
152 -0.0150 0.00000
153 -0.0084 0.00000
154 0.0293 0.00000
155 0.1341 0.00000
156 0.0211 0.00000
157 -0.2016 0.00000
158 -0.0069 0.00000
159 -0.1737 0.00000
160 -0.3323 0.00000
161 0.0163 0.00000
162 -0.0159 0.00000
163 -0.0133 0.00000
164 -0.1219 0.00000
165 0.1223 0.00000
166 -0.0709 0.00000
167 -0.0224 0.00000
168 -0.0636 0.00000
169 0.0637 0.00000
170 0.0054 0.00000
171 0.0627 0.00000
172 -0.0508 0.00000
173 0.0054 0.00000
174 -0.0030 0.00000
175 -0.0388 0.00000
176 0.0708 0.00000
177 0.0150 0.00000
178 -0.2267 0.00000
179 -0.0363 0.00000
180 -0.2046 0.00000
181 0.0321 0.00000
182 0.0910 0.00000
183 0.0123 0.00000
184 -0.0096 0.00000
185 -0.1078 0.00000
186 -0.0666 0.00000
187 -0.0153 0.00000
188 -0.0483 0.00000
189 0.0593 0.00000
190 0.0640 0.00000
191 0.1093 0.00000
192 -0.0369 0.00000
193 -0.0555 0.00000
194 0.0713 0.00000
195 0.1673 0.00000
196 -0.2177 0.00000
197 0.1246 0.00000
198 -0.4078 0.00000
199 -0.0609 0.00000
200 -0.0556 0.00000
201 -0.1478 0.00000
202 -0.0348 0.00000
203 -0.0200 0.00000
204 -0.2055 0.00000
205 -0.0292 0.00000
206 -0.1630 0.00000
207 -0.1654 0.00000
208 0.0557 0.00000
209 -0.0181 0.00000
210 -0.0054 0.00000
211 0.0389 0.00000
212 -0.0011 0.00000
213 0.0346 0.00000
214 0.0448 0.00000
215 -0.0059 0.00000
216 0.0119 0.00000
217 -0.5637 0.00000
218 0.2814 0.00000
219 -0.0203 0.00000
220 -0.0597 0.00000
221 -0.1624 0.00000
222 0.0102 0.00000
223 -0.0450 0.00000
224 -0.0088 0.00000
225 -0.0499 0.00000
226 -0.1026 0.00000
227 -0.2053 0.00000
228 0.0339 0.00000
229 0.1801 0.00000
230 -0.0020 0.00000
231 -0.0281 0.00000
232 -0.2134 0.00000
233 -0.1478 0.00000
234 0.0751 0.00000
235 -0.0074 0.00000
236 0.0339 0.00000
237 0.0017 0.00000
238 -0.0162 0.00000
239 0.0014 0.00000
240 -0.0882 0.00000
241 -0.0179 0.00000
242 0.0050 0.00000
243 0.0019 0.00000
244 -0.0138 0.00000
245 -0.0602 0.00000
246 0.0085 0.00000
247 0.0197 0.00000
248 -0.0272 0.00000
249 -0.0092 0.00000
250 0.0327 0.00000
251 -0.0208 0.00000
252 0.0319 0.00000
253 -0.0438 0.00000
254 0.0011 0.00000
255 0.0385 0.00000
256 0.2358 0.00000
257 0.0362 0.00000
258 0.1837 0.00000
259 -0.0126 0.00000
260 0.0295 0.00000
261 0.0487 0.00000
262 0.0935 0.00000
263 -0.0939 0.00000
264 0.0367 0.00000
265 0.0155 0.00000
266 0.0166 0.00000
267 0.0476 0.00000
268 0.0097 0.00000
269 -0.0035 0.00000
270 0.0191 0.00000
271 0.0514 0.00000
272 0.0124 0.00000
273 0.0694 0.00000
274 0.0176 0.00000
275 -0.0556 0.00000
276 0.0150 0.00000
277 0.0830 0.00000
278 -0.0199 0.00000
279 -0.1124 0.00000
280 -0.0035 0.00000
281 0.0102 0.00000
282 -0.0029 0.00000
283 0.0281 0.00000
284 0.0131 0.00000
285 0.0520 0.00000
286 0.1518 0.00000
287 0.1659 0.00000
288 0.0963 0.00000
289 -0.0419 0.00000
290 -0.0432 0.00000
291 -0.0000 0.00000
292 0.2560 0.00000
293 0.0630 0.00000
294 -0.0647 0.00000
295 -0.0756 0.00000
296 -0.0002 0.00000
297 -0.0492 0.00000
298 0.4057 0.00000
299 0.0435 0.00000
300 0.0563 0.00000
301 -0.0025 0.00000
302 -0.0187 0.00000
303 0.1033 0.00000
304 -0.0458 0.00000
305 0.0178 0.00000
306 -0.0983 0.00000
307 0.1091 0.00000
308 0.1201 0.00000
309 0.0382 0.00000
310 -0.0868 0.00000
311 -0.0306 0.00000
312 0.0198 0.00000
313 0.0887 0.00000
314 -0.0085 0.00000
315 0.0241 0.00000
316 0.0122 0.00000
317 0.0249 0.00000
318 -0.0486 0.00000
319 -0.0268 0.00000
320 -0.0316 0.00000
321 -0.0380 0.00000
322 0.0454 0.00000
323 0.0080 0.00000
324 -0.0058 0.00000
325 -0.0028 0.00000
326 0.0168 0.00000
327 -0.0585 0.00000
328 -0.0552 0.00000
329 0.0110 0.00000
330 -0.0856 0.00000
331 -0.0516 0.00000
332 0.0656 0.00000
333 -0.0676 0.00000
334 0.0314 0.00000
335 -0.0543 0.00000
336 -0.0389 0.00000
337 -0.0532 0.00000
338 0.0084 0.00000
339 -0.1348 0.00000
340 0.0361 0.00000
341 -0.0079 0.00000
342 -0.0293 0.00000
343 0.0242 0.00000
344 0.0126 0.00000
345 0.0152 0.00000
346 -0.0703 0.00000
347 -0.0430 0.00000
348 0.0287 0.00000
349 0.0487 0.00000
350 -0.0062 0.00000
351 0.0121 0.00000
352 0.0183 0.00000
353 0.0431 0.00000
354 -0.0063 0.00000
355 0.0404 0.00000
356 0.0572 0.00000
357 0.0813 0.00000
358 0.0178 0.00000
359 -0.0112 0.00000
360 -0.0657 0.00000
361 -0.0281 0.00000
362 0.0245 0.00000
363 0.0198 0.00000
364 0.0628 0.00000
365 -0.0501 0.00000
366 0.0596 0.00000
367 0.0576 0.00000
368 -0.0179 0.00000
369 -0.0461 0.00000
370 0.0258 0.00000
371 0.0635 0.00000
372 0.0405 0.00000
373 0.0437 0.00000
374 0.0378 0.00000
375 0.1566 0.00000
376 0.0253 0.00000
377 -0.0585 0.00000
378 0.0808 0.00000
379 -0.0140 0.00000
380 0.0712 0.00000
381 -0.0839 0.00000
382 -0.0760 0.00000
383 -0.0940 0.00000
384 0.0258 0.00000
385 0.0871 0.00000
386 0.0380 0.00000
387 0.0454 0.00000
388 -0.0130 0.00000
389 -0.0061 0.00000
390 -0.0047 0.00000
391 0.0364 0.00000
392 0.0304 0.00000
393 -0.0352 0.00000
394 -0.0586 0.00000
395 0.0271 0.00000
396 0.0286 0.00000
397 -0.0589 0.00000
398 -0.0086 0.00000
399 -0.0146 0.00000
400 -0.0024 0.00000
401 -0.0340 0.00000
402 0.0029 0.00000
403 0.0197 0.00000
404 0.0029 0.00000
405 -0.0068 0.00000
406 0.0036 0.00000
407 -0.0166 0.00000
408 -0.1148 0.00000
409 -0.0024 0.00000
410 -0.0134 0.00000
411 -0.0133 0.00000
412 0.0118 0.00000
413 0.0587 0.00000
414 -0.0182 0.00000
415 -0.0845 0.00000
416 0.0128 0.00000
417 -0.0485 0.00000
418 -0.1564 0.00000
419 0.0454 0.00000
420 -0.0244 0.00000
421 -0.0174 0.00000
422 -0.0424 0.00000
423 -0.1234 0.00000
424 -0.0258 0.00000
425 -0.0123 0.00000
426 -0.0467 0.00000
427 -0.0308 0.00000
428 -0.0208 0.00000
429 -0.0392 0.00000
430 -0.0261 0.00000
431 0.0395 0.00000
432 -0.0200 0.00000
433 -0.0160 0.00000
434 0.0052 0.00000
435 -0.0384 0.00000
436 0.0333 0.00000
437 -0.0444 0.00000
438 -0.0216 0.00000
439 0.0673 0.00000
440 0.0543 0.00000
441 -0.0261 0.00000
442 -0.0428 0.00000
443 -0.0282 0.00000
444 -0.0464 0.00000
445 0.0170 0.00000
446 0.0352 0.00000
447 0.0184 0.00000
448 0.1362 0.00000
449 -0.1005 0.00000
450 -0.0421 0.00000
451 0.0011 0.00000
452 -0.1102 0.00000
453 0.0322 0.00000
454 -0.0392 0.00000
455 -0.0025 0.00000
456 -0.0487 0.00000
457 0.0312 0.00000
458 0.0348 0.00000
459 -0.0168 0.00000
460 0.1375 0.00000
461 0.0319 0.00000
462 -0.0075 0.00000
463 -0.0180 0.00000
464 0.1019 0.00000
465 -0.1361 0.00000
466 -0.0104 0.00000
467 -0.0093 0.00000
468 -0.0456 0.00000
469 -0.0271 0.00000
470 -0.3451 0.00000
471 0.0293 0.00000
472 0.0912 0.00000
473 0.0083 0.00000
474 -0.0329 0.00000
475 -0.0218 0.00000
476 0.0494 0.00000
477 -0.0378 0.00000
478 -0.3062 0.00000
479 -0.1285 0.00000
480 0.0572 0.00000
481 0.0237 0.00000
482 -0.1051 0.00000
483 -0.1509 0.00000
484 -0.0076 0.00000
485 0.0329 0.00000
486 -0.0878 0.00000
487 -0.0742 0.00000
488 0.0006 0.00000
489 0.0290 0.00000
490 -0.0053 0.00000
491 -0.0255 0.00000
492 0.0161 0.00000
493 -0.0029 0.00000
494 -0.0014 0.00000
495 0.0549 0.00000
496 0.0373 0.00000
497 0.0145 0.00000
498 0.0047 0.00000
499 -0.1184 0.00000
500 -0.0018 0.00000
501 -0.0126 0.00000
502 -0.0280 0.00000
503 0.0668 0.00000
504 -0.0431 0.00000
505 -0.0768 0.00000
506 -0.1576 0.00000
507 0.0685 0.00000
508 0.0349 0.00000
509 -0.0010 0.00000
510 -0.1411 0.00000
511 -0.0817 0.00000
512 0.0167 0.00000
513 0.0069 0.00000
514 0.0307 0.00000
515 0.0150 0.00000
516 0.2108 0.00000
517 -0.0488 0.00000
518 -0.1427 0.00000
519 -0.0450 0.00000
520 -0.0344 0.00000
521 0.0661 0.00000
522 -0.0132 0.00000
523 0.0312 0.00000
524 0.0604 0.00000
525 0.0184 0.00000
526 -0.0083 0.00000
527 0.0200 0.00000
528 -0.0523 0.00000
529 -0.0127 0.00000
530 -0.0103 0.00000
531 -0.0990 0.00000
532 -0.0017 0.00000
533 0.0398 0.00000
534 -0.1440 0.00000
535 -0.0251 0.00000
536 -0.1740 0.00000
537 0.0009 0.00000
538 0.0520 0.00000
539 0.1013 0.00000
540 -0.0295 0.00000
541 -0.0302 0.00000
542 0.0346 0.00000
543 -0.0249 0.00000
544 -0.0037 0.00000
545 0.0246 0.00000
546 -0.0122 0.00000
547 0.0771 0.00000
548 -0.0152 0.00000
549 0.0304 0.00000
550 0.0410 0.00000
551 0.0335 0.00000
552 0.0389 0.00000
553 0.0390 0.00000
554 -0.0176 0.00000
555 0.0767 0.00000
556 -0.0639 0.00000
557 0.0276 0.00000
558 0.1096 0.00000
559 0.0136 0.00000
560 0.1087 0.00000
561 0.0499 0.00000
562 0.0045 0.00000
563 0.0965 0.00000
564 0.1210 0.00000
565 -0.0410 0.00000
566 -0.0239 0.00000
567 0.0245 0.00000
568 0.0366 0.00000
569 0.0727 0.00000
570 0.0245 0.00000
571 0.0372 0.00000
572 0.0252 0.00000
573 -0.0102 0.00000
574 -0.1262 0.00000
575 0.0873 0.00000
576 -0.0744 0.00000
577 0.1021 0.00000
578 0.0456 0.00000
579 0.0090 0.00000
580 -0.0795 0.00000
581 -0.0261 0.00000
582 -0.0748 0.00000
583 0.0368 0.00000
584 -0.5961 0.00000
585 0.0371 0.00000
586 -0.0244 0.00000
587 0.0875 0.00000
588 0.0881 0.00000
589 -0.0015 0.00000
590 0.0906 0.00000
591 0.0201 0.00000
592 0.0034 0.00000
593 -0.0364 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0004 0.00000
597 0.0011 0.00000
598 -0.0125 0.00000
599 0.0377 0.00000
600 0.0152 0.00000
601 0.0360 0.00000
602 -0.0197 0.00000
603 0.0570 0.00000
604 -0.0038 0.00000
605 0.0077 0.00000
606 0.0814 0.00000
607 0.0110 0.00000
608 0.0157 0.00000
609 0.0269 0.00000
610 0.0660 0.00000
611 0.0226 0.00000
612 -0.0045 0.00000
613 0.0397 0.00000
614 -0.0339 0.00000
615 -0.0451 0.00000
616 0.0346 0.00000
617 0.0386 0.00000
618 -0.0292 0.00000
619 0.0316 0.00000
620 0.0210 0.00000
621 -0.0169 0.00000
622 0.0019 0.00000
623 0.0395 0.00000
624 -0.0584 0.00000
625 -0.0535 0.00000
626 -0.0065 0.00000
627 -0.0820 0.00000
628 0.0204 0.00000
629 0.0568 0.00000
630 0.1341 0.00000
631 0.0303 0.00000
632 0.0122 0.00000
633 0.0374 0.00000
634 -0.0186 0.00000
635 0.0303 0.00000
636 -0.0208 0.00000
637 0.0138 0.00000
638 -0.0072 0.00000
639 -0.0092 0.00000
640 -0.0035 0.00000
641 -0.0782 0.00000
642 -0.0278 0.00000
643 0.0508 0.00000
644 -0.0421 0.00000
645 0.0526 0.00000
646 0.0543 0.00000
647 0.0042 0.00000
648 0.0380 0.00000
649 -0.0047 0.00000
650 0.0256 0.00000
651 0.0350 0.00000
652 0.0296 0.00000
653 -0.0029 0.00000
654 0.0357 0.00000
655 0.0365 0.00000
656 -0.0553 0.00000
657 -0.0099 0.00000
658 0.0451 0.00000
659 -0.0010 0.00000
660 0.0456 0.00000
661 0.0450 0.00000
662 0.0266 0.00000
663 0.0697 0.00000
664 0.0463 0.00000
665 -0.0428 0.00000
666 -0.0166 0.00000
667 0.0929 0.00000
668 0.0216 0.00000
669 0.0053 0.00000
670 -0.0253 0.00000
671 0.1395 0.00000
672 -0.0214 0.00000
673 -0.0284 0.00000
674 0.0508 0.00000
675 0.0260 0.00000
676 0.0146 0.00000
677 0.0792 0.00000
678 0.0662 0.00000
679 -0.0312 0.00000
680 0.0262 0.00000
681 0.0137 0.00000
682 0.0471 0.00000
683 0.0401 0.00000
684 0.1000 0.00000
685 0.0265 0.00000
686 -0.0124 0.00000
687 0.0260 0.00000
688 0.0634 0.00000
689 0.0286 0.00000
690 -0.0478 0.00000
691 0.0112 0.00000
692 -0.0551 0.00000
693 -0.0737 0.00000
694 0.0183 0.00000
695 0.0208 0.00000
696 -0.0054 0.00000
697 0.0532 0.00000
698 -0.0375 0.00000
699 -0.0163 0.00000
700 0.0218 0.00000
701 -0.0122 0.00000
702 -0.0159 0.00000
703 -0.0236 0.00000
704 0.0128 0.00000
705 -0.0032 0.00000
706 -0.0111 0.00000
707 0.0170 0.00000
708 0.0219 0.00000
709 0.0158 0.00000
710 0.0059 0.00000
711 0.0219 0.00000
712 0.0415 0.00000
713 -0.0088 0.00000
714 0.0313 0.00000
715 0.0354 0.00000
716 -0.0079 0.00000
717 0.0464 0.00000
718 -0.0041 0.00000
719 -0.0330 0.00000
720 0.0061 0.00000
721 -0.0034 0.00000
722 0.0307 0.00000
723 0.0016 0.00000
724 -0.0242 0.00000
725 0.0051 0.00000
726 0.0131 0.00000
727 -0.0055 0.00000
728 -0.0250 0.00000
729 0.0036 0.00000
730 0.0061 0.00000
731 -0.0355 0.00000
732 -0.0072 0.00000
733 -0.0286 0.00000
734 -0.0049 0.00000
735 0.0203 0.00000
736 -0.0220 0.00000
737 0.0232 0.00000
738 0.0481 0.00000
739 -0.0076 0.00000
740 -0.0095 0.00000
741 -0.0182 0.00000
742 0.0230 0.00000
743 0.0270 0.00000
744 -0.0424 0.00000
745 -0.0066 0.00000
746 0.0761 0.00000
747 0.0513 0.00000
748 -0.0139 0.00000
749 0.0261 0.00000
750 0.0221 0.00000
751 0.0096 0.00000
752 -0.0428 0.00000
753 0.0444 0.00000
754 -0.0960 0.00000
755 -0.0019 0.00000
756 0.0181 0.00000
757 -0.0114 0.00000
758 0.0320 0.00000
759 0.0561 0.00000
760 -0.0693 0.00000
761 -0.0333 0.00000
762 0.0314 0.00000
763 0.0150 0.00000
764 -0.0350 0.00000
765 -0.0134 0.00000
766 -0.1019 0.00000
767 0.0189 0.00000
768 -0.0393 0.00000
769 0.0474 0.00000
770 0.0175 0.00000
771 -0.0258 0.00000
772 0.0071 0.00000
773 -0.0103 0.00000
774 -0.0247 0.00000
775 0.1440 0.00000
776 0.1196 0.00000
777 0.0020 0.00000
778 0.0026 0.00000
779 0.0995 0.00000
780 -0.0019 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0020 0.00000
5 0.0940 0.00000
6 0.0751 0.00000
7 0.0135 0.00000
8 0.0650 0.00000
9 0.1476 0.00000
10 -0.0053 0.00000
11 0.0142 0.00000
12 -0.0419 0.00000
13 -0.1198 0.00000
14 -0.0223 0.00000
15 -0.1064 0.00000
16 -0.0250 0.00000
17 -0.0601 0.00000
18 -0.0241 0.00000
19 -0.0718 0.00000
20 -0.0343 0.00000
21 -0.0082 0.00000
22 0.0409 0.00000
23 0.1499 0.00000
24 0.0052 0.00000
25 -0.0347 0.00000
26 -0.4393 0.00000
27 -0.3290 0.00000
28 -0.0464 0.00000
29 -0.0007 0.00000
30 -0.2900 0.00000
31 -0.0425 0.00000
32 -0.0412 0.00000
33 0.1862 0.00000
34 0.2253 0.00000
35 0.0827 0.00000
36 -0.0744 0.00000
37 -0.0606 0.00000
38 -0.0403 0.00000
39 0.1288 0.00000
40 -0.0329 0.00000
41 -0.1285 0.00000
42 -0.0025 0.00000
43 0.3101 0.00000
44 -0.6154 0.00000
45 -0.3302 0.00000
46 0.0550 0.00000
47 -0.0425 0.00000
48 -0.0253 0.00000
49 -0.0035 0.00000
50 0.0684 0.00000
51 0.0854 0.00000
52 0.0531 0.00000
53 0.0943 0.00000
54 0.0479 0.00000
55 0.1024 0.00000
56 -0.0417 0.00000
57 -0.0233 0.00000
58 0.1781 0.00000
59 -0.0706 0.00000
60 -0.2069 0.00000
61 -0.4462 0.00000
62 -0.5333 0.00000
63 -0.0271 0.00000
64 0.0041 0.00000
65 -0.0057 0.00000
66 -0.7699 0.00000
67 -0.0644 0.00000
68 0.1580 0.00000
69 0.0136 0.00000
70 0.0115 0.00000
71 0.4514 0.00000
72 0.1353 0.00000
73 0.0117 0.00000
74 -0.0264 0.00000
75 -0.2284 0.00000
76 -0.1110 0.00000
77 -0.1282 0.00000
78 -0.2343 0.00000
79 -0.4561 0.00000
80 0.0358 0.00000
81 -1.5762 0.00000
82 0.1063 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0409 0.00000
90 -0.0363 0.00000
91 -0.0600 0.00000
92 -0.0415 0.00000
93 0.3210 0.00000
94 0.0714 0.00000
95 0.0346 0.00000
96 0.0698 0.00000
97 0.0316 0.00000
98 -0.1644 0.00000
99 -0.2753 0.00000
100 -0.0228 0.00000
101 -0.2166 0.00000
102 0.2208 0.00000
103 -0.1144 0.00000
104 0.1033 0.00000
105 -0.0005 0.00000
106 0.3188 0.00000
107 0.2556 0.00000
108 1.0957 0.00000
109 0.4323 0.00000
110 0.0348 0.00000
111 0.3586 0.00000
112 0.0473 0.00000
113 0.1606 0.00000
114 -0.1672 0.00000
115 -0.1105 0.00000
116 -0.0353 0.00000
117 -0.2269 0.00000
118 0.0836 0.00000
119 0.0469 0.00000
120 0.1474 0.00000
121 0.3031 0.00000
122 -0.1933 0.00000
123 0.3869 0.00000
124 -0.0213 0.00000
125 -0.0211 0.00000
126 -0.2147 0.00000
127 -0.0080 0.00000
128 -0.1208 0.00000
129 0.0284 0.00000
130 0.0878 0.00000
131 0.0239 0.00000
132 0.0381 0.00000
133 0.1629 0.00000
134 -0.0403 0.00000
135 0.0721 0.00000
136 -0.2321 0.00000
137 -0.0725 0.00000
138 -0.5021 0.00000
139 0.1852 0.00000
140 0.1695 0.00000
141 -0.1542 0.00000
142 0.0148 0.00000
143 0.1821 0.00000
144 0.1926 0.00000
145 0.1502 0.00000
146 0.0416 0.00000
147 -0.0158 0.00000
148 0.0509 0.00000
149 -0.0137 0.00000
150 0.0741 0.00000
151 0.0051 0.00000
152 -0.0011 0.00000
153 -0.0202 0.00000
154 0.0529 0.00000
155 0.1231 0.00000
156 -0.0039 0.00000
157 -0.3792 0.00000
158 0.0127 0.00000
159 0.0126 0.00000
160 -0.2098 0.00000
161 -0.0607 0.00000
162 0.0475 0.00000
163 -0.0847 0.00000
164 -0.0319 0.00000
165 0.0451 0.00000
166 -0.0588 0.00000
167 -0.1133 0.00000
168 -0.1412 0.00000
169 0.0021 0.00000
170 0.0394 0.00000
171 0.0174 0.00000
172 0.0410 0.00000
173 0.0833 0.00000
174 -0.0187 0.00000
175 0.0531 0.00000
176 -0.0620 0.00000
177 -0.0023 0.00000
178 -0.0496 0.00000
179 0.0216 0.00000
180 -0.2642 0.00000
181 -0.0554 0.00000
182 0.0088 0.00000
183 0.0569 0.00000
184 -0.0405 0.00000
185 -0.0699 0.00000
186 -0.0344 0.00000
187 -0.0592 0.00000
188 0.0471 0.00000
189 -0.0260 0.00000
190 0.1109 0.00000
191 0.0320 0.00000
192 0.0354 0.00000
193 -0.0677 0.00000
194 0.0551 0.00000
195 0.1223 0.00000
196 0.1860 0.00000
197 -0.2865 0.00000
198 -0.4626 0.00000
199 -0.1166 0.00000
200 -0.0413 0.00000
201 0.0193 0.00000
202 0.0174 0.00000
203 0.0141 0.00000
204 -0.1077 0.00000
205 -0.4904 0.00000
206 -0.0235 0.00000
207 -0.0761 0.00000
208 0.0386 0.00000
209 0.0187 0.00000
210 0.0026 0.00000
211 0.0259 0.00000
212 0.0279 0.00000
213 0.0015 0.00000
214 0.0283 0.00000
215 0.0049 0.00000
216 -0.3267 0.00000
217 -0.1421 0.00000
218 0.1177 0.00000
219 0.0154 0.00000
220 -0.0332 0.00000
221 -0.0011 0.00000
222 -0.0188 0.00000
223 -0.0319 0.00000
224 -0.0427 0.00000
225 -0.0865 0.00000
226 -0.1109 0.00000
227 -0.2005 0.00000
228 0.0426 0.00000
229 0.1733 0.00000
230 -0.0178 0.00000
231 -0.0275 0.00000
232 -0.1751 0.00000
233 -0.1893 0.00000
234 0.0489 0.00000
235 -0.0252 0.00000
236 0.0395 0.00000
237 0.0084 0.00000
238 0.0002 0.00000
239 0.0050 0.00000
240 -0.0782 0.00000
241 0.0034 0.00000
242 -0.0587 0.00000
243 0.0217 0.00000
244 -0.0308 0.00000
245 -0.0118 0.00000
246 -0.0071 0.00000
247 -0.0097 0.00000
248 -0.0079 0.00000
249 -0.0164 0.00000
250 0.0487 0.00000
251 -0.0476 0.00000
252 -0.0182 0.00000
253 -0.0173 0.00000
254 -0.0133 0.00000
255 0.0752 0.00000
256 0.2531 0.00000
257 0.0302 0.00000
258 0.1493 0.00000
259 0.0289 0.00000
260 0.0206 0.00000
261 0.0309 0.00000
262 0.0289 0.00000
263 0.0227 0.00000
264 0.0283 0.00000
265 0.0391 0.00000
266 -0.0759 0.00000
267 0.0540 0.00000
268 0.1165 0.00000
269 0.0487 0.00000
270 0.0262 0.00000
271 -0.0179 0.00000
272 -0.0077 0.00000
273 0.0008 0.00000
274 0.0209 0.00000
275 0.0825 0.00000
276 -0.0095 0.00000
277 -0.0905 0.00000
278 -0.0401 0.00000
279 -0.0125 0.00000
280 -0.0093 0.00000
281 0.0308 0.00000
282 -0.0172 0.00000
283 0.0147 0.00000
284 0.0765 0.00000
285 0.0249 0.00000
286 0.1017 0.00000
287 -0.0243 0.00000
288 0.0909 0.00000
289 0.2096 0.00000
290 0.0261 0.00000
291 0.0278 0.00000
292 -0.0736 0.00000
293 0.0654 0.00000
294 0.0378 0.00000
295 0.3341 0.00000
296 -0.0254 0.00000
297 -0.1169 0.00000
298 0.0687 0.00000
299 0.0596 0.00000
300 0.1101 0.00000
301 -0.0312 0.00000
302 0.2234 0.00000
303 -0.0109 0.00000
304 0.0225 0.00000
305 0.0183 0.00000
306 -0.0995 0.00000
307 -0.0094 0.00000
308 0.0093 0.00000
309 0.0707 0.00000
310 -0.0483 0.00000
311 -0.0205 0.00000
312 -0.0250 0.00000
313 -0.0170 0.00000
314 0.0443 0.00000
315 0.1989 0.00000
316 -0.0283 0.00000
317 0.0483 0.00000
318 0.0620 0.00000
319 0.0341 0.00000
320 -0.0820 0.00000
321 -0.0028 0.00000
322 -0.0628 0.00000
323 -0.0224 0.00000
324 0.0460 0.00000
325 0.0097 0.00000
326 0.0311 0.00000
327 -0.0451 0.00000
328 -0.1247 0.00000
329 -0.0732 0.00000
330 -0.0123 0.00000
331 0.0293 0.00000
332 0.0302 0.00000
333 -0.1093 0.00000
334 -0.0415 0.00000
335 -0.1791 0.00000
336 0.0027 0.00000
337 0.0032 0.00000
338 -0.0574 0.00000
339 0.0300 0.00000
340 -0.0533 0.00000
341 -0.0591 0.00000
342 -0.0262 0.00000
343 -0.0030 0.00000
344 0.0348 0.00000
345 -0.0981 0.00000
346 0.0910 0.00000
347 0.0077 0.00000
348 0.0801 0.00000
349 0.0132 0.00000
350 -0.0688 0.00000
351 0.0128 0.00000
352 0.0430 0.00000
353 0.0115 0.00000
354 0.1168 0.00000
355 0.0253 0.00000
356 0.0595 0.00000
357 0.0313 0.00000
358 -0.0516 0.00000
359 0.0340 0.00000
360 0.0489 0.00000
361 0.1055 0.00000
362 0.0390 0.00000
363 0.0267 0.00000
364 -0.1027 0.00000
365 -0.0478 0.00000
366 -0.0363 0.00000
367 0.0038 0.00000
368 -0.0193 0.00000
369 0.0402 0.00000
370 0.0542 0.00000
371 -0.0125 0.00000
372 0.0054 0.00000
373 0.0181 0.00000
374 0.0476 0.00000
375 0.0212 0.00000
376 -0.0006 0.00000
377 0.0980 0.00000
378 0.0135 0.00000
379 0.0400 0.00000
380 -0.0170 0.00000
381 -0.0064 0.00000
382 -0.1367 0.00000
383 0.0656 0.00000
384 0.1183 0.00000
385 -0.0350 0.00000
386 0.0108 0.00000
387 0.0319 0.00000
388 0.0560 0.00000
389 0.0057 0.00000
390 -0.0286 0.00000
391 0.0021 0.00000
392 -0.0338 0.00000
393 0.0779 0.00000
394 0.0260 0.00000
395 0.0002 0.00000
396 -0.0668 0.00000
397 -0.0012 0.00000
398 0.0082 0.00000
399 -0.0762 0.00000
400 -0.0544 0.00000
401 0.0228 0.00000
402 -0.0178 0.00000
403 -0.0236 0.00000
404 0.0094 0.00000
405 -0.0639 0.00000
406 0.0134 0.00000
407 -0.0691 0.00000
408 0.0404 0.00000
409 -0.0024 0.00000
410 -0.0469 0.00000
411 -0.0221 0.00000
412 0.0294 0.00000
413 0.0962 0.00000
414 -0.0899 0.00000
415 -0.0500 0.00000
416 -0.1128 0.00000
417 -0.0191 0.00000
418 0.0010 0.00000
419 -0.0124 0.00000
420 -0.0019 0.00000
421 0.0334 0.00000
422 -0.1000 0.00000
423 0.0381 0.00000
424 -0.0248 0.00000
425 -0.1026 0.00000
426 -0.0140 0.00000
427 0.0158 0.00000
428 0.0832 0.00000
429 -0.0736 0.00000
430 -0.0084 0.00000
431 0.0119 0.00000
432 0.0246 0.00000
433 -0.0477 0.00000
434 -0.0446 0.00000
435 -0.0013 0.00000
436 0.0212 0.00000
437 0.0724 0.00000
438 0.0212 0.00000
439 -0.0619 0.00000
440 -0.0685 0.00000
441 -0.0077 0.00000
442 0.0020 0.00000
443 -0.0298 0.00000
444 0.0301 0.00000
445 -0.1676 0.00000
446 -0.0063 0.00000
447 -0.0239 0.00000
448 0.0488 0.00000
449 -0.0365 0.00000
450 0.0296 0.00000
451 0.0630 0.00000
452 -0.1332 0.00000
453 -0.0646 0.00000
454 -0.0163 0.00000
455 0.0205 0.00000
456 0.0014 0.00000
457 -0.0404 0.00000
458 0.0409 0.00000
459 0.0843 0.00000
460 0.0025 0.00000
461 0.1189 0.00000
462 -0.0358 0.00000
463 -0.0029 0.00000
464 0.0175 0.00000
465 0.0462 0.00000
466 0.0420 0.00000
467 0.0745 0.00000
468 -0.1249 0.00000
469 -0.1920 0.00000
470 -0.1115 0.00000
471 -0.0132 0.00000
472 -0.0499 0.00000
473 0.0184 0.00000
474 -0.0465 0.00000
475 -0.0404 0.00000
476 0.0351 0.00000
477 -0.0992 0.00000
478 -0.0826 0.00000
479 -0.2640 0.00000
480 0.0002 0.00000
481 -0.1822 0.00000
482 -0.1446 0.00000
483 0.0101 0.00000
484 -0.0156 0.00000
485 -0.0442 0.00000
486 0.0240 0.00000
487 0.0363 0.00000
488 -0.0046 0.00000
489 0.0487 0.00000
490 -0.0702 0.00000
491 -0.0204 0.00000
492 0.0010 0.00000
493 -0.0844 0.00000
494 0.0895 0.00000
495 -0.0836 0.00000
496 0.0098 0.00000
497 -0.0260 0.00000
498 0.0860 0.00000
499 -0.0103 0.00000
500 0.0141 0.00000
501 0.0019 0.00000
502 -0.0921 0.00000
503 0.0228 0.00000
504 0.0767 0.00000
505 -0.0005 0.00000
506 -0.0364 0.00000
507 -0.0887 0.00000
508 -0.0784 0.00000
509 -0.0022 0.00000
510 -0.0307 0.00000
511 0.0257 0.00000
512 0.0989 0.00000
513 0.0023 0.00000
514 -0.0225 0.00000
515 0.1278 0.00000
516 -0.1853 0.00000
517 -0.0474 0.00000
518 -0.0254 0.00000
519 -0.0511 0.00000
520 -0.0209 0.00000
521 -0.0144 0.00000
522 -0.0644 0.00000
523 -0.0010 0.00000
524 0.0235 0.00000
525 0.1197 0.00000
526 -0.0526 0.00000
527 -0.0555 0.00000
528 -0.0089 0.00000
529 0.0136 0.00000
530 0.0244 0.00000
531 -0.0372 0.00000
532 -0.0992 0.00000
533 -0.0927 0.00000
534 -0.0556 0.00000
535 0.0420 0.00000
536 0.0077 0.00000
537 0.0342 0.00000
538 -0.0441 0.00000
539 -0.0597 0.00000
540 -0.0551 0.00000
541 0.1107 0.00000
542 -0.0360 0.00000
543 0.0592 0.00000
544 0.0610 0.00000
545 0.1744 0.00000
546 0.0410 0.00000
547 0.0781 0.00000
548 0.0499 0.00000
549 -0.0556 0.00000
550 -0.0249 0.00000
551 0.0369 0.00000
552 -0.0555 0.00000
553 0.0386 0.00000
554 0.0195 0.00000
555 0.0338 0.00000
556 0.2252 0.00000
557 0.0079 0.00000
558 -0.0804 0.00000
559 -0.0271 0.00000
560 -0.0719 0.00000
561 0.0112 0.00000
562 0.0225 0.00000
563 0.0743 0.00000
564 0.1349 0.00000
565 0.0513 0.00000
566 0.0509 0.00000
567 -0.0394 0.00000
568 -0.0386 0.00000
569 -0.0186 0.00000
570 0.1481 0.00000
571 0.0343 0.00000
572 -0.0087 0.00000
573 0.0169 0.00000
574 -0.0334 0.00000
575 0.0273 0.00000
576 0.0873 0.00000
577 -0.0437 0.00000
578 -0.0008 0.00000
579 0.0822 0.00000
580 0.0289 0.00000
581 -0.1233 0.00000
582 0.0120 0.00000
583 -0.1031 0.00000
584 -0.4425 0.00000
585 -0.0264 0.00000
586 -0.1026 0.00000
587 0.1219 0.00000
588 0.0673 0.00000
589 -0.0021 0.00000
590 0.0717 0.00000
591 0.0404 0.00000
592 0.0006 0.00000
593 -0.0352 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0004 0.00000
597 0.0011 0.00000
598 0.0002 0.00000
599 0.0266 0.00000
600 0.0045 0.00000
601 0.0394 0.00000
602 0.0420 0.00000
603 0.0429 0.00000
604 -0.0087 0.00000
605 0.0467 0.00000
606 0.0126 0.00000
607 -0.0333 0.00000
608 0.0165 0.00000
609 0.0494 0.00000
610 0.0923 0.00000
611 -0.0597 0.00000
612 0.0165 0.00000
613 0.0573 0.00000
614 -0.0161 0.00000
615 0.0280 0.00000
616 -0.0731 0.00000
617 0.0033 0.00000
618 0.0294 0.00000
619 0.0101 0.00000
620 0.0636 0.00000
621 0.0034 0.00000
622 -0.0236 0.00000
623 0.0260 0.00000
624 -0.0140 0.00000
625 -0.0095 0.00000
626 -0.0370 0.00000
627 0.0292 0.00000
628 0.0652 0.00000
629 0.0099 0.00000
630 -0.0266 0.00000
631 0.0574 0.00000
632 -0.0170 0.00000
633 -0.0344 0.00000
634 0.0527 0.00000
635 -0.0233 0.00000
636 0.0194 0.00000
637 0.0064 0.00000
638 0.0051 0.00000
639 -0.0094 0.00000
640 0.0140 0.00000
641 0.0355 0.00000
642 -0.0315 0.00000
643 -0.0174 0.00000
644 0.0339 0.00000
645 0.0149 0.00000
646 0.0271 0.00000
647 0.0259 0.00000
648 0.0291 0.00000
649 0.0557 0.00000
650 -0.0315 0.00000
651 -0.0046 0.00000
652 0.0068 0.00000
653 0.0287 0.00000
654 -0.0376 0.00000
655 0.0305 0.00000
656 0.0161 0.00000
657 0.0325 0.00000
658 0.0223 0.00000
659 0.0250 0.00000
660 -0.0007 0.00000
661 0.0608 0.00000
662 0.0176 0.00000
663 -0.0070 0.00000
664 -0.0034 0.00000
665 0.0698 0.00000
666 0.0201 0.00000
667 0.0026 0.00000
668 -0.0085 0.00000
669 -0.0626 0.00000
670 -0.0223 0.00000
671 0.0294 0.00000
672 -0.0216 0.00000
673 0.1222 0.00000
674 0.1381 0.00000
675 0.0211 0.00000
676 0.0176 0.00000
677 -0.0139 0.00000
678 0.0206 0.00000
679 0.0491 0.00000
680 0.0145 0.00000
681 0.0555 0.00000
682 -0.0162 0.00000
683 -0.0625 0.00000
684 0.0648 0.00000
685 0.0545 0.00000
686 0.0469 0.00000
687 -0.0217 0.00000
688 0.0622 0.00000
689 0.0062 0.00000
690 0.0364 0.00000
691 -0.0141 0.00000
692 0.0246 0.00000
693 -0.0340 0.00000
694 0.0343 0.00000
695 0.0281 0.00000
696 0.0733 0.00000
697 0.0299 0.00000
698 0.0216 0.00000
699 0.0199 0.00000
700 -0.0022 0.00000
701 0.0674 0.00000
702 0.0500 0.00000
703 0.0000 0.00000
704 0.0581 0.00000
705 -0.0174 0.00000
706 -0.0411 0.00000
707 -0.0233 0.00000
708 0.0162 0.00000
709 -0.0119 0.00000
710 -0.0404 0.00000
711 -0.0283 0.00000
712 -0.0200 0.00000
713 -0.0156 0.00000
714 -0.0124 0.00000
715 -0.0253 0.00000
716 0.0037 0.00000
717 0.0138 0.00000
718 0.0168 0.00000
719 -0.0117 0.00000
720 0.0434 0.00000
721 0.0063 0.00000
722 0.0155 0.00000
723 -0.0164 0.00000
724 -0.0354 0.00000
725 0.0028 0.00000
726 -0.0021 0.00000
727 -0.0111 0.00000
728 0.0289 0.00000
729 0.0867 0.00000
730 0.0532 0.00000
731 0.0338 0.00000
732 -0.0226 0.00000
733 0.0243 0.00000
734 -0.0289 0.00000
735 -0.0296 0.00000
736 0.0308 0.00000
737 -0.0361 0.00000
738 0.0447 0.00000
739 -0.0084 0.00000
740 -0.0077 0.00000
741 0.0029 0.00000
742 0.0021 0.00000
743 -0.0558 0.00000
744 -0.0479 0.00000
745 -0.0207 0.00000
746 -0.0392 0.00000
747 -0.0106 0.00000
748 0.0014 0.00000
749 -0.0288 0.00000
750 0.0129 0.00000
751 0.0010 0.00000
752 -0.0735 0.00000
753 0.0304 0.00000
754 -0.0411 0.00000
755 -0.0716 0.00000
756 0.0373 0.00000
757 0.0370 0.00000
758 0.0223 0.00000
759 -0.0344 0.00000
760 -0.0314 0.00000
761 0.0724 0.00000
762 0.0277 0.00000
763 0.0226 0.00000
764 -0.0133 0.00000
765 -0.0019 0.00000
766 -0.0354 0.00000
767 -0.0095 0.00000
768 0.0728 0.00000
769 0.0648 0.00000
770 0.0299 0.00000
771 -0.0557 0.00000
772 0.0426 0.00000
773 -0.0017 0.00000
774 -0.0133 0.00000
775 0.0040 0.00000
776 0.0227 0.00000
777 0.0983 0.00000
778 -0.0134 0.00000
779 0.0471 0.00000
780 0.0769 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0038 0.00000
5 0.0959 0.00000
6 0.0750 0.00000
7 0.0135 0.00000
8 0.0647 0.00000
9 0.1480 0.00000
10 -0.0048 0.00000
11 0.0142 0.00000
12 -0.0428 0.00000
13 -0.1192 0.00000
14 -0.0231 0.00000
15 -0.1064 0.00000
16 -0.0222 0.00000
17 -0.0973 0.00000
18 -0.0007 0.00000
19 -0.0541 0.00000
20 -0.0472 0.00000
21 -0.0081 0.00000
22 0.0403 0.00000
23 0.1375 0.00000
24 0.0074 0.00000
25 -0.0323 0.00000
26 -0.2047 0.00000
27 -0.5457 0.00000
28 -0.0638 0.00000
29 0.0221 0.00000
30 -0.2981 0.00000
31 -0.0362 0.00000
32 -0.0649 0.00000
33 0.1722 0.00000
34 0.2326 0.00000
35 0.1023 0.00000
36 -0.0640 0.00000
37 -0.0845 0.00000
38 -0.0366 0.00000
39 -0.0321 0.00000
40 0.1380 0.00000
41 -0.1267 0.00000
42 0.0148 0.00000
43 0.3103 0.00000
44 -0.8900 0.00000
45 -0.0571 0.00000
46 -0.0627 0.00000
47 0.0549 0.00000
48 -0.0075 0.00000
49 0.0624 0.00000
50 -0.0019 0.00000
51 0.0829 0.00000
52 0.0685 0.00000
53 0.0772 0.00000
54 0.0446 0.00000
55 0.0913 0.00000
56 -0.0183 0.00000
57 0.1724 0.00000
58 -0.0104 0.00000
59 -0.2678 0.00000
60 -0.0736 0.00000
61 -0.5121 0.00000
62 -0.4457 0.00000
63 -0.0202 0.00000
64 0.0069 0.00000
65 0.0632 0.00000
66 -0.8244 0.00000
67 0.1515 0.00000
68 -0.0561 0.00000
69 0.0100 0.00000
70 0.0068 0.00000
71 0.4573 0.00000
72 0.1357 0.00000
73 0.0100 0.00000
74 -0.0256 0.00000
75 -0.3465 0.00000
76 0.0190 0.00000
77 -0.1513 0.00000
78 -0.5378 0.00000
79 -0.1390 0.00000
80 0.0357 0.00000
81 -1.5781 0.00000
82 0.1064 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0409 0.00000
90 -0.0330 0.00000
91 -0.0653 0.00000
92 -0.0455 0.00000
93 0.3266 0.00000
94 0.0865 0.00000
95 0.0450 0.00000
96 0.0576 0.00000
97 -0.0248 0.00000
98 -0.1680 0.00000
99 -0.0712 0.00000
100 -0.3421 0.00000
101 -0.0912 0.00000
102 0.1863 0.00000
103 -0.1409 0.00000
104 0.2560 0.00000
105 0.0791 0.00000
106 0.1686 0.00000
107 0.1509 0.00000
108 0.2275 0.00000
109 1.5621 0.00000
110 0.0622 0.00000
111 0.2674 0.00000
112 0.0506 0.00000
113 0.0171 0.00000
114 0.0060 0.00000
115 -0.2458 0.00000
116 -0.0443 0.00000
117 -0.2212 0.00000
118 0.1022 0.00000
119 0.0676 0.00000
120 0.0728 0.00000
121 0.3737 0.00000
122 -0.1694 0.00000
123 0.2082 0.00000
124 0.1836 0.00000
125 -0.0638 0.00000
126 -0.2427 0.00000
127 -0.0320 0.00000
128 -0.0401 0.00000
129 0.0488 0.00000
130 -0.0002 0.00000
131 0.0147 0.00000
132 0.0572 0.00000
133 0.1938 0.00000
134 -0.0568 0.00000
135 0.0674 0.00000
136 -0.2175 0.00000
137 -0.0495 0.00000
138 -0.5281 0.00000
139 0.1760 0.00000
140 0.1612 0.00000
141 -0.1545 0.00000
142 0.0173 0.00000
143 0.1965 0.00000
144 0.1864 0.00000
145 0.1500 0.00000
146 0.0416 0.00000
147 -0.0156 0.00000
148 0.0473 0.00000
149 -0.0103 0.00000
150 0.0946 0.00000
151 -0.0089 0.00000
152 -0.0154 0.00000
153 0.0059 0.00000
154 0.0680 0.00000
155 -0.0385 0.00000
156 0.0245 0.00000
157 -0.0104 0.00000
158 -0.4491 0.00000
159 0.0081 0.00000
160 0.0008 0.00000
161 -0.0264 0.00000
162 0.0410 0.00000
163 -0.2547 0.00000
164 0.0009 0.00000
165 0.0467 0.00000
166 -0.0431 0.00000
167 -0.0159 0.00000
168 -0.0069 0.00000
169 0.0495 0.00000
170 0.0028 0.00000
171 0.0760 0.00000
172 0.0753 0.00000
173 -0.1138 0.00000
174 -0.0476 0.00000
175 -0.0857 0.00000
176 -0.1181 0.00000
177 -0.0783 0.00000
178 -0.1727 0.00000
179 0.0431 0.00000
180 0.0733 0.00000
181 0.0550 0.00000
182 0.0222 0.00000
183 0.0956 0.00000
184 -0.1126 0.00000
185 -0.1260 0.00000
186 0.0330 0.00000
187 -0.0364 0.00000
188 -0.0423 0.00000
189 0.0458 0.00000
190 -0.0175 0.00000
191 0.1181 0.00000
192 0.0341 0.00000
193 -0.0614 0.00000
194 0.0525 0.00000
195 -0.1329 0.00000
196 0.1927 0.00000
197 0.0949 0.00000
198 -0.5473 0.00000
199 -0.1088 0.00000
200 0.0473 0.00000
201 -0.0031 0.00000
202 -0.6823 0.00000
203 -0.0123 0.00000
204 -0.0142 0.00000
205 0.0117 0.00000
206 -0.0127 0.00000
207 -0.0996 0.00000
208 0.0535 0.00000
209 -0.0284 0.00000
210 0.0252 0.00000
211 -0.0003 0.00000
212 0.0434 0.00000
213 -0.0529 0.00000
214 0.0643 0.00000
215 -0.0111 0.00000
216 -0.4763 0.00000
217 0.1100 0.00000
218 0.0937 0.00000
219 -0.0338 0.00000
220 -0.0158 0.00000
221 -0.0470 0.00000
222 0.0011 0.00000
223 -0.0628 0.00000
224 -0.0222 0.00000
225 -0.0768 0.00000
226 -0.0993 0.00000
227 -0.2229 0.00000
228 0.0444 0.00000
229 0.1703 0.00000
230 -0.0129 0.00000
231 -0.0278 0.00000
232 -0.1992 0.00000
233 -0.1631 0.00000
234 0.0486 0.00000
235 -0.0226 0.00000
236 0.0358 0.00000
237 0.0014 0.00000
238 0.0036 0.00000
239 -0.0034 0.00000
240 -0.0457 0.00000
241 -0.0454 0.00000
242 -0.0144 0.00000
243 -0.0252 0.00000
244 0.0063 0.00000
245 -0.0236 0.00000
246 -0.0199 0.00000
247 0.0447 0.00000
248 -0.0350 0.00000
249 -0.0283 0.00000
250 0.0412 0.00000
251 -0.0543 0.00000
252 0.0763 0.00000
253 0.0100 0.00000
254 0.0202 0.00000
255 0.0167 0.00000
256 0.3124 0.00000
257 -0.0403 0.00000
258 0.0299 0.00000
259 0.1241 0.00000
260 0.0089 0.00000
261 -0.0106 0.00000
262 0.0517 0.00000
263 0.0207 0.00000
264 -0.0393 0.00000
265 0.0596 0.00000
266 -0.0074 0.00000
267 0.0156 0.00000
268 0.1050 0.00000
269 -0.0498 0.00000
270 0.0450 0.00000
271 0.0999 0.00000
272 0.0005 0.00000
273 0.0184 0.00000
274 -0.0692 0.00000
275 -0.0368 0.00000
276 0.0480 0.00000
277 0.0805 0.00000
278 -0.0016 0.00000
279 -0.0956 0.00000
280 -0.0139 0.00000
281 0.0391 0.00000
282 0.0539 0.00000
283 0.0111 0.00000
284 0.0512 0.00000
285 0.0119 0.00000
286 0.0116 0.00000
287 0.0380 0.00000
288 0.0578 0.00000
289 -0.0790 0.00000
290 0.0941 0.00000
291 0.0043 0.00000
292 0.0217 0.00000
293 0.0719 0.00000
294 0.1599 0.00000
295 0.2397 0.00000
296 0.0535 0.00000
297 0.0421 0.00000
298 0.2827 0.00000
299 0.0207 0.00000
300 -0.1628 0.00000
301 0.1211 0.00000
302 -0.0335 0.00000
303 -0.0207 0.00000
304 -0.0595 0.00000
305 0.1095 0.00000
306 -0.0120 0.00000
307 0.0423 0.00000
308 0.0189 0.00000
309 0.0329 0.00000
310 -0.0340 0.00000
311 0.0113 0.00000
312 -0.0532 0.00000
313 0.0541 0.00000
314 0.0372 0.00000
315 0.0844 0.00000
316 -0.0736 0.00000
317 0.0410 0.00000
318 0.0112 0.00000
319 0.0035 0.00000
320 -0.0915 0.00000
321 0.1486 0.00000
322 0.0018 0.00000
323 0.0021 0.00000
324 -0.0349 0.00000
325 0.0013 0.00000
326 0.0020 0.00000
327 -0.0458 0.00000
328 -0.0230 0.00000
329 0.0468 0.00000
330 -0.0700 0.00000
331 -0.1111 0.00000
332 -0.0004 0.00000
333 -0.0424 0.00000
334 -0.0280 0.00000
335 -0.1522 0.00000
336 -0.0065 0.00000
337 -0.0015 0.00000
338 -0.0787 0.00000
339 -0.1348 0.00000
340 0.0574 0.00000
341 -0.0179 0.00000
342 0.0302 0.00000
343 0.0381 0.00000
344 -0.0553 0.00000
345 0.0141 0.00000
346 0.0219 0.00000
347 -0.0150 0.00000
348 -0.0174 0.00000
349 -0.0487 0.00000
350 0.0627 0.00000
351 -0.0128 0.00000
352 0.0149 0.00000
353 0.0703 0.00000
354 0.0682 0.00000
355 0.0444 0.00000
356 0.0803 0.00000
357 0.0137 0.00000
358 0.0252 0.00000
359 0.0138 0.00000
360 -0.0255 0.00000
361 0.0468 0.00000
362 -0.0510 0.00000
363 0.0090 0.00000
364 0.0080 0.00000
365 0.0102 0.00000
366 0.0864 0.00000
367 -0.1063 0.00000
368 0.0430 0.00000
369 -0.0135 0.00000
370 0.0455 0.00000
371 -0.0093 0.00000
372 0.0418 0.00000
373 0.1043 0.00000
374 -0.0156 0.00000
375 0.0256 0.00000
376 -0.0060 0.00000
377 -0.0056 0.00000
378 -0.0048 0.00000
379 -0.1027 0.00000
380 0.0684 0.00000
381 0.0601 0.00000
382 -0.1222 0.00000
383 0.0264 0.00000
384 -0.0450 0.00000
385 0.0205 0.00000
386 0.0760 0.00000
387 0.0146 0.00000
388 -0.0041 0.00000
389 0.0204 0.00000
390 0.0232 0.00000
391 0.0019 0.00000
392 -0.0364 0.00000
393 0.0025 0.00000
394 0.0047 0.00000
395 0.0360 0.00000
396 0.0286 0.00000
397 -0.0009 0.00000
398 0.0513 0.00000
399 0.0190 0.00000
400 -0.0614 0.00000
401 0.0575 0.00000
402 0.0045 0.00000
403 -0.0066 0.00000
404 0.0507 0.00000
405 0.0703 0.00000
406 0.0017 0.00000
407 0.0002 0.00000
408 -0.0237 0.00000
409 -0.0312 0.00000
410 -0.1136 0.00000
411 -0.0699 0.00000
412 -0.0714 0.00000
413 0.0755 0.00000
414 0.0418 0.00000
415 -0.1593 0.00000
416 -0.1828 0.00000
417 0.0117 0.00000
418 -0.0511 0.00000
419 0.0432 0.00000
420 0.0144 0.00000
421 -0.0458 0.00000
422 0.0002 0.00000
423 -0.0659 0.00000
424 -0.0315 0.00000
425 -0.0004 0.00000
426 -0.0750 0.00000
427 -0.0028 0.00000
428 -0.0376 0.00000
429 0.0576 0.00000
430 -0.0236 0.00000
431 0.0171 0.00000
432 0.1005 0.00000
433 -0.0119 0.00000
434 -0.0060 0.00000
435 -0.0039 0.00000
436 -0.0777 0.00000
437 0.0008 0.00000
438 0.0035 0.00000
439 0.0371 0.00000
440 -0.0338 0.00000
441 -0.0219 0.00000
442 -0.0651 0.00000
443 0.0024 0.00000
444 0.0069 0.00000
445 0.0063 0.00000
446 0.0898 0.00000
447 -0.0392 0.00000
448 0.0044 0.00000
449 -0.0001 0.00000
450 -0.1158 0.00000
451 -0.1516 0.00000
452 0.0865 0.00000
453 -0.0705 0.00000
454 0.0227 0.00000
455 0.0285 0.00000
456 0.0184 0.00000
457 -0.0300 0.00000
458 -0.0490 0.00000
459 -0.0407 0.00000
460 -0.0752 0.00000
461 0.0858 0.00000
462 0.0406 0.00000
463 0.0011 0.00000
464 0.0032 0.00000
465 0.0032 0.00000
466 0.0252 0.00000
467 -0.0175 0.00000
468 -0.1023 0.00000
469 -0.0052 0.00000
470 -0.0428 0.00000
471 -0.1019 0.00000
472 0.0339 0.00000
473 -0.1465 0.00000
474 -0.0983 0.00000
475 -0.0523 0.00000
476 0.0103 0.00000
477 -0.1056 0.00000
478 -0.0631 0.00000
479 -0.1241 0.00000
480 -0.0114 0.00000
481 0.0974 0.00000
482 -0.1487 0.00000
483 0.0344 0.00000
484 0.0065 0.00000
485 -0.1462 0.00000
486 -0.0880 0.00000
487 0.0186 0.00000
488 0.0435 0.00000
489 -0.0242 0.00000
490 0.0320 0.00000
491 0.0806 0.00000
492 -0.0146 0.00000
493 0.0132 0.00000
494 0.0546 0.00000
495 -0.2482 0.00000
496 -0.0169 0.00000
497 0.0440 0.00000
498 -0.0450 0.00000
499 0.0440 0.00000
500 -0.1394 0.00000
501 -0.0141 0.00000
502 -0.0267 0.00000
503 0.0056 0.00000
504 0.0556 0.00000
505 0.0611 0.00000
506 0.0457 0.00000
507 0.0166 0.00000
508 -0.2008 0.00000
509 -0.0284 0.00000
510 -0.0559 0.00000
511 0.0306 0.00000
512 -0.0119 0.00000
513 0.0163 0.00000
514 -0.0485 0.00000
515 0.0080 0.00000
516 0.0210 0.00000
517 0.0165 0.00000
518 0.0143 0.00000
519 -0.0563 0.00000
520 -0.0150 0.00000
521 0.0105 0.00000
522 0.0246 0.00000
523 0.0284 0.00000
524 0.0909 0.00000
525 -0.0233 0.00000
526 0.0140 0.00000
527 0.0277 0.00000
528 -0.0006 0.00000
529 -0.0333 0.00000
530 -0.1785 0.00000
531 -0.0497 0.00000
532 -0.0300 0.00000
533 -0.0166 0.00000
534 0.0019 0.00000
535 -0.0004 0.00000
536 -0.1416 0.00000
537 -0.0492 0.00000
538 -0.0159 0.00000
539 -0.0270 0.00000
540 0.0181 0.00000
541 0.1030 0.00000
542 0.1150 0.00000
543 0.0042 0.00000
544 0.0636 0.00000
545 -0.0215 0.00000
546 0.0688 0.00000
547 -0.0049 0.00000
548 0.0503 0.00000
549 -0.0194 0.00000
550 0.0237 0.00000
551 -0.0002 0.00000
552 0.0274 0.00000
553 -0.0241 0.00000
554 0.0045 0.00000
555 0.0358 0.00000
556 -0.0774 0.00000
557 0.0011 0.00000
558 0.1549 0.00000
559 -0.0176 0.00000
560 0.0025 0.00000
561 0.1102 0.00000
562 0.0636 0.00000
563 -0.0040 0.00000
564 0.1737 0.00000
565 0.0517 0.00000
566 -0.0729 0.00000
567 -0.0364 0.00000
568 0.1353 0.00000
569 0.0346 0.00000
570 0.0639 0.00000
571 -0.0045 0.00000
572 0.0220 0.00000
573 0.0113 0.00000
574 -0.0417 0.00000
575 0.0308 0.00000
576 -0.0054 0.00000
577 -0.0322 0.00000
578 -0.0505 0.00000
579 0.0653 0.00000
580 -0.0342 0.00000
581 -0.1020 0.00000
582 0.0682 0.00000
583 0.0444 0.00000
584 -0.6369 0.00000
585 0.0207 0.00000
586 0.0059 0.00000
587 0.1050 0.00000
588 0.0594 0.00000
589 -0.0020 0.00000
590 0.0743 0.00000
591 0.0429 0.00000
592 -0.0051 0.00000
593 -0.0345 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0004 0.00000
597 0.0011 0.00000
598 -0.0017 0.00000
599 0.0184 0.00000
600 0.0220 0.00000
601 0.0367 0.00000
602 0.0433 0.00000
603 0.0319 0.00000
604 0.0209 0.00000
605 -0.0548 0.00000
606 0.0038 0.00000
607 0.0374 0.00000
608 0.0262 0.00000
609 -0.0157 0.00000
610 0.0269 0.00000
611 0.0330 0.00000
612 0.0221 0.00000
613 0.0486 0.00000
614 0.0002 0.00000
615 0.0025 0.00000
616 -0.0018 0.00000
617 0.0440 0.00000
618 0.0818 0.00000
619 -0.0305 0.00000
620 0.0326 0.00000
621 -0.0006 0.00000
622 -0.0249 0.00000
623 -0.0168 0.00000
624 -0.0336 0.00000
625 -0.0629 0.00000
626 0.0881 0.00000
627 0.0480 0.00000
628 0.0153 0.00000
629 -0.0318 0.00000
630 0.0508 0.00000
631 0.0070 0.00000
632 0.0283 0.00000
633 0.0265 0.00000
634 -0.0478 0.00000
635 -0.0150 0.00000
636 -0.0275 0.00000
637 0.0082 0.00000
638 -0.0313 0.00000
639 0.0239 0.00000
640 0.0124 0.00000
641 0.0333 0.00000
642 -0.0152 0.00000
643 0.0167 0.00000
644 0.0689 0.00000
645 0.0487 0.00000
646 -0.0959 0.00000
647 0.0072 0.00000
648 0.0562 0.00000
649 0.0023 0.00000
650 0.0094 0.00000
651 0.0366 0.00000
652 0.0454 0.00000
653 -0.0320 0.00000
654 0.0372 0.00000
655 0.0561 0.00000
656 -0.0364 0.00000
657 0.0427 0.00000
658 0.0491 0.00000
659 0.0496 0.00000
660 0.0616 0.00000
661 0.0435 0.00000
662 0.0199 0.00000
663 0.0058 0.00000
664 -0.0178 0.00000
665 -0.0391 0.00000
666 0.1250 0.00000
667 -0.0511 0.00000
668 -0.0381 0.00000
669 0.0216 0.00000
670 0.0388 0.00000
671 0.0040 0.00000
672 0.0223 0.00000
673 0.0428 0.00000
674 0.0643 0.00000
675 0.0032 0.00000
676 0.0119 0.00000
677 0.0217 0.00000
678 -0.0164 0.00000
679 0.0286 0.00000
680 0.0027 0.00000
681 0.0422 0.00000
682 0.0174 0.00000
683 0.0125 0.00000
684 0.0008 0.00000
685 0.1007 0.00000
686 0.0586 0.00000
687 -0.0033 0.00000
688 0.0278 0.00000
689 -0.0109 0.00000
690 -0.0585 0.00000
691 -0.0308 0.00000
692 0.0568 0.00000
693 0.0424 0.00000
694 0.0069 0.00000
695 0.0422 0.00000
696 -0.0034 0.00000
697 -0.0284 0.00000
698 0.0000 0.00000
699 0.0088 0.00000
700 0.0020 0.00000
701 -0.0746 0.00000
702 0.0019 0.00000
703 0.0277 0.00000
704 0.0340 0.00000
705 -0.0026 0.00000
706 -0.0171 0.00000
707 -0.0188 0.00000
708 0.0308 0.00000
709 0.0253 0.00000
710 0.0075 0.00000
711 -0.0104 0.00000
712 0.0526 0.00000
713 -0.0625 0.00000
714 0.0769 0.00000
715 0.0478 0.00000
716 0.0195 0.00000
717 0.0140 0.00000
718 0.0584 0.00000
719 -0.0299 0.00000
720 -0.0381 0.00000
721 0.0316 0.00000
722 0.0779 0.00000
723 0.0645 0.00000
724 -0.0326 0.00000
725 0.0008 0.00000
726 0.0322 0.00000
727 -0.0361 0.00000
728 0.0196 0.00000
729 0.0454 0.00000
730 -0.0033 0.00000
731 -0.0561 0.00000
732 -0.0559 0.00000
733 -0.0212 0.00000
734 0.0154 0.00000
735 0.0123 0.00000
736 0.0108 0.00000
737 -0.0652 0.00000
738 0.0237 0.00000
739 -0.0066 0.00000
740 0.0295 0.00000
741 -0.0017 0.00000
742 0.0002 0.00000
743 0.0053 0.00000
744 0.0360 0.00000
745 -0.0650 0.00000
746 0.0521 0.00000
747 -0.0162 0.00000
748 -0.0025 0.00000
749 0.0415 0.00000
750 -0.0451 0.00000
751 -0.0321 0.00000
752 0.0050 0.00000
753 -0.0506 0.00000
754 -0.0386 0.00000
755 -0.0050 0.00000
756 -0.0505 0.00000
757 0.0017 0.00000
758 0.0231 0.00000
759 -0.0089 0.00000
760 0.0504 0.00000
761 0.0473 0.00000
762 -0.0281 0.00000
763 0.0369 0.00000
764 -0.0120 0.00000
765 -0.0815 0.00000
766 0.0090 0.00000
767 -0.0091 0.00000
768 0.0380 0.00000
769 0.0612 0.00000
770 0.0096 0.00000
771 -0.0087 0.00000
772 -0.0008 0.00000
773 0.2174 0.00000
774 0.0099 0.00000
775 -0.0594 0.00000
776 0.0195 0.00000
777 0.0055 0.00000
778 -0.0708 0.00000
779 -0.0050 0.00000
780 0.0065 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0039 0.00000
5 0.0960 0.00000
6 0.0752 0.00000
7 0.0134 0.00000
8 0.0652 0.00000
9 0.1467 0.00000
10 -0.0044 0.00000
11 0.0144 0.00000
12 -0.0423 0.00000
13 -0.1200 0.00000
14 -0.0222 0.00000
15 -0.1064 0.00000
16 -0.0250 0.00000
17 -0.0605 0.00000
18 -0.0225 0.00000
19 -0.0634 0.00000
20 -0.0459 0.00000
21 -0.0081 0.00000
22 0.0431 0.00000
23 0.1414 0.00000
24 0.0196 0.00000
25 -0.0078 0.00000
26 -0.7407 0.00000
27 -0.0567 0.00000
28 -0.0711 0.00000
29 0.0255 0.00000
30 -0.2541 0.00000
31 -0.0837 0.00000
32 -0.0477 0.00000
33 0.1869 0.00000
34 0.2298 0.00000
35 0.0825 0.00000
36 -0.0724 0.00000
37 -0.0609 0.00000
38 -0.0397 0.00000
39 -0.0377 0.00000
40 0.1368 0.00000
41 -0.1274 0.00000
42 -0.0604 0.00000
43 0.3081 0.00000
44 -0.1419 0.00000
45 -0.7503 0.00000
46 0.0583 0.00000
47 -0.0455 0.00000
48 -0.0300 0.00000
49 0.0036 0.00000
50 0.0637 0.00000
51 0.0726 0.00000
52 0.0672 0.00000
53 0.0822 0.00000
54 0.1623 0.00000
55 0.0043 0.00000
56 -0.0455 0.00000
57 0.1706 0.00000
58 -0.0150 0.00000
59 -0.0650 0.00000
60 -0.2666 0.00000
61 -0.6601 0.00000
62 -0.1404 0.00000
63 -0.1391 0.00000
64 -0.0154 0.00000
65 -0.1308 0.00000
66 -0.6153 0.00000
67 -0.0614 0.00000
68 0.1447 0.00000
69 0.0054 0.00000
70 0.0000 0.00000
71 0.4566 0.00000
72 0.1358 0.00000
73 0.0210 0.00000
74 -0.0350 0.00000
75 -0.3309 0.00000
76 -0.0023 0.00000
77 -0.1284 0.00000
78 -0.2033 0.00000
79 -0.4902 0.00000
80 0.0338 0.00000
81 -1.5752 0.00000
82 0.1058 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0423 0.00000
90 -0.0350 0.00000
91 -0.0529 0.00000
92 -0.0537 0.00000
93 0.3070 0.00000
94 0.0883 0.00000
95 0.0564 0.00000
96 0.0195 0.00000
97 0.0338 0.00000
98 -0.3112 0.00000
99 -0.1256 0.00000
100 -0.0162 0.00000
101 -0.2209 0.00000
102 0.2753 0.00000
103 -0.1747 0.00000
104 0.1091 0.00000
105 0.0488 0.00000
106 0.3191 0.00000
107 0.0762 0.00000
108 1.2236 0.00000
109 0.3509 0.00000
110 0.0951 0.00000
111 0.3919 0.00000
112 0.0426 0.00000
113 0.0912 0.00000
114 -0.1162 0.00000
115 -0.0973 0.00000
116 -0.0239 0.00000
117 -0.2190 0.00000
118 0.0934 0.00000
119 0.1655 0.00000
120 0.0505 0.00000
121 0.1658 0.00000
122 -0.0973 0.00000
123 0.4356 0.00000
124 -0.0189 0.00000
125 -0.0454 0.00000
126 -0.2473 0.00000
127 0.0385 0.00000
128 -0.0997 0.00000
129 0.0297 0.00000
130 -0.0318 0.00000
131 0.0287 0.00000
132 -0.0891 0.00000
133 0.3837 0.00000
134 -0.0687 0.00000
135 0.0736 0.00000
136 -0.2214 0.00000
137 -0.0749 0.00000
138 -0.5163 0.00000
139 0.1778 0.00000
140 0.1807 0.00000
141 -0.1536 0.00000
142 0.0054 0.00000
143 0.1873 0.00000
144 0.1932 0.00000
145 0.1419 0.00000
146 0.0520 0.00000
147 -0.0182 0.00000
148 0.0571 0.00000
149 -0.0164 0.00000
150 0.0666 0.00000
151 0.0088 0.00000
152 -0.0062 0.00000
153 0.0013 0.00000
154 0.0487 0.00000
155 0.1121 0.00000
156 -0.1874 0.00000
157 -0.0447 0.00000
158 0.0407 0.00000
159 -0.0648 0.00000
160 -0.3435 0.00000
161 -0.0350 0.00000
162 0.0124 0.00000
163 -0.0589 0.00000
164 0.0287 0.00000
165 -0.0685 0.00000
166 -0.0852 0.00000
167 -0.0874 0.00000
168 0.0020 0.00000
169 -0.0682 0.00000
170 0.0444 0.00000
171 0.0240 0.00000
172 0.0518 0.00000
173 0.0748 0.00000
174 -0.0570 0.00000
175 0.0743 0.00000
176 -0.0062 0.00000
177 0.0350 0.00000
178 -0.0239 0.00000
179 -0.2446 0.00000
180 -0.1101 0.00000
181 -0.0063 0.00000
182 0.0695 0.00000
183 -0.0857 0.00000
184 -0.0073 0.00000
185 -0.1443 0.00000
186 0.0006 0.00000
187 -0.1001 0.00000
188 -0.0254 0.00000
189 0.0438 0.00000
190 0.1387 0.00000
191 0.0911 0.00000
192 0.0082 0.00000
193 -0.0672 0.00000
194 0.0537 0.00000
195 0.1580 0.00000
196 0.1023 0.00000
197 0.0688 0.00000
198 -0.7763 0.00000
199 -0.1327 0.00000
200 -0.0121 0.00000
201 0.0447 0.00000
202 -0.0056 0.00000
203 -0.0056 0.00000
204 -0.4932 0.00000
205 0.0539 0.00000
206 -0.1212 0.00000
207 -0.0663 0.00000
208 0.0412 0.00000
209 0.0080 0.00000
210 -0.0496 0.00000
211 0.0426 0.00000
212 0.0096 0.00000
213 0.0273 0.00000
214 0.0294 0.00000
215 0.0112 0.00000
216 -0.2459 0.00000
217 0.1553 0.00000
218 -0.3041 0.00000
219 0.0495 0.00000
220 -0.0102 0.00000
221 -0.1138 0.00000
222 0.0014 0.00000
223 -0.0406 0.00000
224 -0.0357 0.00000
225 -0.0740 0.00000
226 -0.1067 0.00000
227 -0.1747 0.00000
228 0.0345 0.00000
229 0.1789 0.00000
230 -0.0046 0.00000
231 -0.0276 0.00000
232 -0.2011 0.00000
233 -0.1641 0.00000
234 0.0744 0.00000
235 -0.0068 0.00000
236 0.0308 0.00000
237 -0.0017 0.00000
238 -0.0175 0.00000
239 -0.0003 0.00000
240 -0.0410 0.00000
241 -0.0416 0.00000
242 -0.0016 0.00000
243 -0.0293 0.00000
244 0.0056 0.00000
245 -0.0597 0.00000
246 0.0155 0.00000
247 0.0149 0.00000
248 -0.0245 0.00000
249 -0.0197 0.00000
250 0.0439 0.00000
251 -0.0315 0.00000
252 -0.0320 0.00000
253 0.0386 0.00000
254 0.0219 0.00000
255 0.1176 0.00000
256 0.1428 0.00000
257 0.0275 0.00000
258 0.1467 0.00000
259 0.0224 0.00000
260 -0.0990 0.00000
261 0.0628 0.00000
262 0.0937 0.00000
263 -0.0022 0.00000
264 0.0795 0.00000
265 -0.0182 0.00000
266 0.0143 0.00000
267 0.0827 0.00000
268 0.0005 0.00000
269 0.0035 0.00000
270 -0.0039 0.00000
271 0.0441 0.00000
272 0.0009 0.00000
273 0.0675 0.00000
274 0.0485 0.00000
275 0.0347 0.00000
276 -0.0622 0.00000
277 0.0142 0.00000
278 -0.1044 0.00000
279 0.0357 0.00000
280 -0.0704 0.00000
281 0.0766 0.00000
282 0.0233 0.00000
283 -0.0089 0.00000
284 0.0153 0.00000
285 0.0636 0.00000
286 0.1692 0.00000
287 0.1084 0.00000
288 0.0477 0.00000
289 0.0137 0.00000
290 -0.0955 0.00000
291 0.2374 0.00000
292 0.1137 0.00000
293 -0.0903 0.00000
294 0.0868 0.00000
295 -0.0007 0.00000
296 0.0032 0.00000
297 0.1510 0.00000
298 0.0533 0.00000
299 0.0526 0.00000
300 0.0894 0.00000
301 0.0700 0.00000
302 -0.0749 0.00000
303 0.0462 0.00000
304 -0.0020 0.00000
305 -0.0457 0.00000
306 -0.0289 0.00000
307 0.0107 0.00000
308 0.1877 0.00000
309 -0.0132 0.00000
310 -0.0432 0.00000
311 0.0093 0.00000
312 -0.0775 0.00000
313 0.1517 0.00000
314 -0.0079 0.00000
315 0.0040 0.00000
316 0.0557 0.00000
317 0.0452 0.00000
318 -0.0044 0.00000
319 0.0178 0.00000
320 -0.0722 0.00000
321 0.0161 0.00000
322 -0.0270 0.00000
323 0.0106 0.00000
324 0.0208 0.00000
325 0.0005 0.00000
326 -0.0147 0.00000
327 0.0517 0.00000
328 -0.1279 0.00000
329 -0.0625 0.00000
330 -0.0667 0.00000
331 -0.0187 0.00000
332 -0.0590 0.00000
333 -0.0660 0.00000
334 -0.0186 0.00000
335 -0.0577 0.00000
336 0.0090 0.00000
337 -0.0270 0.00000
338 0.0293 0.00000
339 0.0502 0.00000
340 -0.2536 0.00000
341 0.0039 0.00000
342 0.0352 0.00000
343 0.0206 0.00000
344 -0.0178 0.00000
345 -0.0053 0.00000
346 0.0288 0.00000
347 -0.0221 0.00000
348 -0.0071 0.00000
349 0.0404 0.00000
350 -0.0245 0.00000
351 0.0988 0.00000
352 0.0651 0.00000
353 -0.0382 0.00000
354 0.0645 0.00000
355 -0.0215 0.00000
356 0.0102 0.00000
357 0.0435 0.00000
358 0.0471 0.00000
359 0.0469 0.00000
360 0.0491 0.00000
361 -0.0327 0.00000
362 -0.0621 0.00000
363 0.0087 0.00000
364 0.0458 0.00000
365 -0.1022 0.00000
366 0.0341 0.00000
367 0.0130 0.00000
368 0.0738 0.00000
369 -0.0101 0.00000
370 0.0511 0.00000
371 0.0406 0.00000
372 -0.0123 0.00000
373 0.0243 0.00000
374 0.0302 0.00000
375 0.0768 0.00000
376 0.1238 0.00000
377 0.0935 0.00000
378 0.0314 0.00000
379 -0.0071 0.00000
380 0.0655 0.00000
381 -0.0714 0.00000
382 -0.1498 0.00000
383 -0.0218 0.00000
384 -0.0018 0.00000
385 0.0238 0.00000
386 -0.0669 0.00000
387 0.0778 0.00000
388 -0.0066 0.00000
389 0.0080 0.00000
390 0.0038 0.00000
391 0.0537 0.00000
392 0.0144 0.00000
393 0.0354 0.00000
394 0.0312 0.00000
395 0.0207 0.00000
396 0.0106 0.00000
397 -0.0773 0.00000
398 -0.0164 0.00000
399 -0.0582 0.00000
400 -0.0515 0.00000
401 -0.0201 0.00000
402 -0.0264 0.00000
403 -0.0380 0.00000
404 0.0337 0.00000
405 -0.0147 0.00000
406 -0.0104 0.00000
407 -0.0371 0.00000
408 -0.1354 0.00000
409 0.0804 0.00000
410 -0.0592 0.00000
411 0.0509 0.00000
412 -0.0032 0.00000
413 0.0706 0.00000
414 -0.0434 0.00000
415 -0.0538 0.00000
416 -0.0756 0.00000
417 0.0017 0.00000
418 0.0007 0.00000
419 0.0250 0.00000
420 -0.0542 0.00000
421 0.0069 0.00000
422 0.0454 0.00000
423 -0.1771 0.00000
424 -0.0203 0.00000
425 -0.0562 0.00000
426 -0.0464 0.00000
427 -0.0052 0.00000
428 0.0230 0.00000
429 0.0672 0.00000
430 -0.0683 0.00000
431 0.0369 0.00000
432 0.0110 0.00000
433 -0.0696 0.00000
434 -0.0903 0.00000
435 -0.0444 0.00000
436 -0.0034 0.00000
437 0.0418 0.00000
438 0.0419 0.00000
439 0.0202 0.00000
440 -0.0141 0.00000
441 0.0120 0.00000
442 -0.0474 0.00000
443 -0.0083 0.00000
444 0.0278 0.00000
445 0.0237 0.00000
446 0.0276 0.00000
447 -0.0718 0.00000
448 -0.0647 0.00000
449 0.0047 0.00000
450 -0.1528 0.00000
451 0.0191 0.00000
452 -0.0808 0.00000
453 -0.0147 0.00000
454 -0.0357 0.00000
455 0.0349 0.00000
456 0.0969 0.00000
457 -0.0385 0.00000
458 -0.0512 0.00000
459 0.0071 0.00000
460 0.0741 0.00000
461 0.0461 0.00000
462 0.0270 0.00000
463 0.0339 0.00000
464 0.0245 0.00000
465 0.0498 0.00000
466 0.0283 0.00000
467 -0.0228 0.00000
468 -0.1324 0.00000
469 -0.0227 0.00000
470 -0.0596 0.00000
471 -0.1314 0.00000
472 -0.0790 0.00000
473 0.0106 0.00000
474 -0.0474 0.00000
475 -0.0776 0.00000
476 -0.1511 0.00000
477 -0.0660 0.00000
478 0.0155 0.00000
479 -0.0562 0.00000
480 -0.0508 0.00000
481 -0.0852 0.00000
482 0.0088 0.00000
483 -0.0574 0.00000
484 -0.0975 0.00000
485 -0.0631 0.00000
486 0.0025 0.00000
487 0.0622 0.00000
488 -0.0605 0.00000
489 -0.0043 0.00000
490 -0.1269 0.00000
491 0.0143 0.00000
492 -0.0093 0.00000
493 -0.0087 0.00000
494 -0.0232 0.00000
495 0.0343 0.00000
496 0.0041 0.00000
497 0.1230 0.00000
498 -0.0236 0.00000
499 0.0058 0.00000
500 0.0725 0.00000
501 0.0268 0.00000
502 -0.0672 0.00000
503 -0.0438 0.00000
504 -0.1044 0.00000
505 0.0640 0.00000
506 -0.1327 0.00000
507 -0.0408 0.00000
508 0.0571 0.00000
509 0.0371 0.00000
510 0.0195 0.00000
511 -0.1265 0.00000
512 -0.0264 0.00000
513 0.0094 0.00000
514 0.0221 0.00000
515 0.0883 0.00000
516 -0.1283 0.00000
517 0.0902 0.00000
518 0.0021 0.00000
519 0.0182 0.00000
520 -0.0260 0.00000
521 -0.0502 0.00000
522 -0.0364 0.00000
523 -0.0719 0.00000
524 -0.0554 0.00000
525 0.0060 0.00000
526 0.0018 0.00000
527 -0.0389 0.00000
528 -0.0118 0.00000
529 -0.0455 0.00000
530 -0.0087 0.00000
531 0.0669 0.00000
532 -0.0160 0.00000
533 0.0863 0.00000
534 -0.1510 0.00000
535 -0.0242 0.00000
536 -0.0555 0.00000
537 -0.0277 0.00000
538 -0.0049 0.00000
539 0.0024 0.00000
540 0.0182 0.00000
541 0.0145 0.00000
542 0.0495 0.00000
543 0.0060 0.00000
544 -0.0331 0.00000
545 -0.0175 0.00000
546 0.0997 0.00000
547 0.0174 0.00000
548 0.0224 0.00000
549 0.0190 0.00000
550 -0.0016 0.00000
551 0.0215 0.00000
552 -0.0056 0.00000
553 0.0382 0.00000
554 0.0212 0.00000
555 0.0490 0.00000
556 0.0801 0.00000
557 0.2083 0.00000
558 -0.1388 0.00000
559 0.0417 0.00000
560 -0.0521 0.00000
561 0.0383 0.00000
562 0.0540 0.00000
563 0.0554 0.00000
564 0.1330 0.00000
565 0.0184 0.00000
566 -0.0829 0.00000
567 0.0019 0.00000
568 0.1176 0.00000
569 0.0291 0.00000
570 0.1149 0.00000
571 0.0560 0.00000
572 -0.0130 0.00000
573 -0.0564 0.00000
574 0.0211 0.00000
575 -0.0259 0.00000
576 0.0161 0.00000
577 -0.0194 0.00000
578 0.0236 0.00000
579 0.0492 0.00000
580 0.0043 0.00000
581 -0.0715 0.00000
582 -0.0230 0.00000
583 -0.0844 0.00000
584 -0.5707 0.00000
585 0.0425 0.00000
586 -0.0322 0.00000
587 0.1001 0.00000
588 0.0900 0.00000
589 -0.0016 0.00000
590 0.0884 0.00000
591 0.0197 0.00000
592 0.0061 0.00000
593 -0.0366 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0004 0.00000
597 0.0011 0.00000
598 -0.0180 0.00000
599 0.0539 0.00000
600 0.0521 0.00000
601 -0.0157 0.00000
602 -0.0437 0.00000
603 0.0600 0.00000
604 0.0662 0.00000
605 0.0229 0.00000
606 -0.0225 0.00000
607 0.0190 0.00000
608 0.1000 0.00000
609 0.0055 0.00000
610 0.0836 0.00000
611 -0.0362 0.00000
612 0.0126 0.00000
613 -0.0115 0.00000
614 0.0008 0.00000
615 0.0127 0.00000
616 0.0024 0.00000
617 -0.0172 0.00000
618 0.0234 0.00000
619 -0.0351 0.00000
620 -0.0150 0.00000
621 0.0065 0.00000
622 0.0062 0.00000
623 0.0216 0.00000
624 0.0328 0.00000
625 -0.0338 0.00000
626 -0.0219 0.00000
627 0.0361 0.00000
628 0.0317 0.00000
629 0.0083 0.00000
630 0.0818 0.00000
631 0.0029 0.00000
632 -0.0020 0.00000
633 -0.0391 0.00000
634 0.0366 0.00000
635 0.0611 0.00000
636 -0.0833 0.00000
637 -0.0851 0.00000
638 0.0075 0.00000
639 -0.0093 0.00000
640 0.0509 0.00000
641 0.0089 0.00000
642 0.0288 0.00000
643 0.0522 0.00000
644 0.0676 0.00000
645 -0.0246 0.00000
646 0.0380 0.00000
647 -0.0118 0.00000
648 0.0180 0.00000
649 -0.0429 0.00000
650 0.0165 0.00000
651 0.0354 0.00000
652 0.0269 0.00000
653 -0.0320 0.00000
654 0.0564 0.00000
655 0.0771 0.00000
656 0.0632 0.00000
657 -0.0182 0.00000
658 0.0062 0.00000
659 0.0175 0.00000
660 0.0123 0.00000
661 0.0293 0.00000
662 -0.0117 0.00000
663 -0.0302 0.00000
664 -0.0017 0.00000
665 0.0636 0.00000
666 0.0647 0.00000
667 0.0382 0.00000
668 -0.0295 0.00000
669 -0.0101 0.00000
670 0.0558 0.00000
671 -0.0018 0.00000
672 -0.0159 0.00000
673 -0.0194 0.00000
674 0.0423 0.00000
675 0.1200 0.00000
676 0.0085 0.00000
677 -0.0241 0.00000
678 0.0410 0.00000
679 0.0268 0.00000
680 0.0785 0.00000
681 0.1080 0.00000
682 -0.0147 0.00000
683 -0.0185 0.00000
684 -0.0162 0.00000
685 0.1137 0.00000
686 -0.0007 0.00000
687 0.0488 0.00000
688 -0.0176 0.00000
689 0.0202 0.00000
690 0.0462 0.00000
691 0.0133 0.00000
692 0.0200 0.00000
693 0.0272 0.00000
694 0.0061 0.00000
695 -0.0610 0.00000
696 0.0050 0.00000
697 0.0168 0.00000
698 0.0032 0.00000
699 0.0458 0.00000
700 -0.0183 0.00000
701 -0.0009 0.00000
702 -0.0429 0.00000
703 -0.0164 0.00000
704 -0.0167 0.00000
705 0.0175 0.00000
706 -0.0070 0.00000
707 0.0160 0.00000
708 0.0352 0.00000
709 -0.0437 0.00000
710 0.0085 0.00000
711 -0.0330 0.00000
712 0.0277 0.00000
713 0.0449 0.00000
714 0.0015 0.00000
715 0.0256 0.00000
716 -0.0169 0.00000
717 0.0043 0.00000
718 -0.0025 0.00000
719 0.0212 0.00000
720 0.0232 0.00000
721 0.0160 0.00000
722 0.0021 0.00000
723 -0.0188 0.00000
724 0.0201 0.00000
725 0.0592 0.00000
726 0.1073 0.00000
727 -0.0302 0.00000
728 -0.0388 0.00000
729 -0.0047 0.00000
730 0.0081 0.00000
731 0.0047 0.00000
732 -0.0912 0.00000
733 0.0484 0.00000
734 -0.0514 0.00000
735 0.0935 0.00000
736 0.0158 0.00000
737 -0.0559 0.00000
738 -0.0756 0.00000
739 -0.0319 0.00000
740 0.0260 0.00000
741 0.0113 0.00000
742 -0.0112 0.00000
743 0.0259 0.00000
744 -0.0460 0.00000
745 0.0146 0.00000
746 0.0099 0.00000
747 0.0284 0.00000
748 -0.0212 0.00000
749 -0.0092 0.00000
750 0.0024 0.00000
751 0.1404 0.00000
752 0.0011 0.00000
753 0.0018 0.00000
754 -0.0297 0.00000
755 0.0260 0.00000
756 -0.0062 0.00000
757 -0.0019 0.00000
758 -0.0891 0.00000
759 -0.0536 0.00000
760 -0.0498 0.00000
761 0.0096 0.00000
762 -0.0019 0.00000
763 -0.0040 0.00000
764 -0.0099 0.00000
765 -0.0144 0.00000
766 -0.0193 0.00000
767 0.1233 0.00000
768 -0.0108 0.00000
769 0.0460 0.00000
770 -0.0229 0.00000
771 -0.0473 0.00000
772 0.0003 0.00000
773 -0.0197 0.00000
774 0.0036 0.00000
775 0.0547 0.00000
776 0.0481 0.00000
777 -0.0017 0.00000
778 0.1488 0.00000
779 0.0238 0.00000
780 0.0563 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0019 0.00000
5 0.0940 0.00000
6 0.0751 0.00000
7 0.0135 0.00000
8 0.0651 0.00000
9 0.1474 0.00000
10 -0.0045 0.00000
11 0.0142 0.00000
12 -0.0428 0.00000
13 -0.1199 0.00000
14 -0.0224 0.00000
15 -0.1064 0.00000
16 -0.0251 0.00000
17 -0.0446 0.00000
18 -0.0476 0.00000
19 -0.0660 0.00000
20 -0.0387 0.00000
21 -0.0081 0.00000
22 0.0393 0.00000
23 0.1373 0.00000
24 0.0180 0.00000
25 -0.0466 0.00000
26 -0.2617 0.00000
27 -0.4884 0.00000
28 -0.0484 0.00000
29 0.0038 0.00000
30 -0.2840 0.00000
31 -0.0426 0.00000
32 -0.0703 0.00000
33 0.1761 0.00000
34 0.2492 0.00000
35 0.0841 0.00000
36 -0.0732 0.00000
37 -0.0527 0.00000
38 -0.0448 0.00000
39 -0.0430 0.00000
40 0.1370 0.00000
41 -0.1228 0.00000
42 -0.0052 0.00000
43 0.3121 0.00000
44 -0.6227 0.00000
45 -0.3229 0.00000
46 0.0532 0.00000
47 -0.0411 0.00000
48 -0.0156 0.00000
49 -0.0172 0.00000
50 0.0740 0.00000
51 0.1002 0.00000
52 0.0519 0.00000
53 0.0785 0.00000
54 0.0023 0.00000
55 0.1469 0.00000
56 -0.0444 0.00000
57 0.1718 0.00000
58 -0.0044 0.00000
59 -0.0687 0.00000
60 -0.3649 0.00000
61 -0.1508 0.00000
62 -0.6970 0.00000
63 -0.0091 0.00000
64 -0.0184 0.00000
65 0.0532 0.00000
66 -0.8058 0.00000
67 -0.0649 0.00000
68 0.1575 0.00000
69 0.0108 0.00000
70 0.0140 0.00000
71 0.4507 0.00000
72 0.1355 0.00000
73 0.0099 0.00000
74 -0.0253 0.00000
75 -0.3495 0.00000
76 0.0219 0.00000
77 -0.1419 0.00000
78 -0.5506 0.00000
79 -0.1388 0.00000
80 0.0354 0.00000
81 -1.5747 0.00000
82 0.1063 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0409 0.00000
90 -0.0331 0.00000
91 -0.0655 0.00000
92 -0.0441 0.00000
93 0.3238 0.00000
94 0.0865 0.00000
95 0.0479 0.00000
96 0.0503 0.00000
97 -0.0037 0.00000
98 -0.3204 0.00000
99 -0.0150 0.00000
100 -0.2115 0.00000
101 -0.1089 0.00000
102 0.1728 0.00000
103 -0.1444 0.00000
104 0.2054 0.00000
105 0.0739 0.00000
106 0.2901 0.00000
107 0.1282 0.00000
108 0.9106 0.00000
109 0.6171 0.00000
110 0.1332 0.00000
111 0.3915 0.00000
112 0.0430 0.00000
113 0.1046 0.00000
114 -0.0282 0.00000
115 -0.2793 0.00000
116 -0.0451 0.00000
117 -0.2089 0.00000
118 0.0829 0.00000
119 0.0433 0.00000
120 0.0963 0.00000
121 0.3539 0.00000
122 -0.1597 0.00000
123 0.3439 0.00000
124 -0.0346 0.00000
125 0.0265 0.00000
126 -0.2358 0.00000
127 0.0024 0.00000
128 -0.1180 0.00000
129 0.0388 0.00000
130 0.0895 0.00000
131 0.0179 0.00000
132 0.0233 0.00000
133 0.1964 0.00000
134 -0.0623 0.00000
135 0.0656 0.00000
136 -0.2159 0.00000
137 -0.0495 0.00000
138 -0.5275 0.00000
139 0.1751 0.00000
140 0.1723 0.00000
141 -0.1555 0.00000
142 0.0137 0.00000
143 0.1820 0.00000
144 0.1927 0.00000
145 0.1500 0.00000
146 0.0422 0.00000
147 -0.0157 0.00000
148 0.0510 0.00000
149 -0.0133 0.00000
150 0.0856 0.00000
151 -0.0003 0.00000
152 -0.0175 0.00000
153 0.0128 0.00000
154 0.0722 0.00000
155 -0.0572 0.00000
156 -0.0556 0.00000
157 -0.0577 0.00000
158 -0.1258 0.00000
159 -0.1433 0.00000
160 -0.0924 0.00000
161 -0.0304 0.00000
162 0.0565 0.00000
163 -0.0437 0.00000
164 -0.1473 0.00000
165 0.1394 0.00000
166 -0.0606 0.00000
167 -0.0629 0.00000
168 -0.0227 0.00000
169 -0.0125 0.00000
170 -0.0909 0.00000
171 0.0541 0.00000
172 -0.0283 0.00000
173 0.0749 0.00000
174 -0.0722 0.00000
175 0.0327 0.00000
176 0.0295 0.00000
177 -0.0607 0.00000
178 -0.1049 0.00000
179 -0.0946 0.00000
180 -0.0506 0.00000
181 0.0376 0.00000
182 -0.0433 0.00000
183 0.0090 0.00000
184 0.0620 0.00000
185 -0.0892 0.00000
186 -0.0171 0.00000
187 -0.1287 0.00000
188 -0.0141 0.00000
189 0.0648 0.00000
190 0.0291 0.00000
191 0.1195 0.00000
192 0.0368 0.00000
193 -0.0660 0.00000
194 0.0229 0.00000
195 0.0774 0.00000
196 0.2173 0.00000
197 -0.0204 0.00000
198 -0.5471 0.00000
199 -0.3819 0.00000
200 -0.0067 0.00000
201 -0.2361 0.00000
202 -0.0034 0.00000
203 -0.1117 0.00000
204 0.0130 0.00000
205 -0.0314 0.00000
206 -0.0571 0.00000
207 -0.1557 0.00000
208 0.0302 0.00000
209 0.0079 0.00000
210 -0.0003 0.00000
211 0.0364 0.00000
212 0.0588 0.00000
213 -0.1137 0.00000
214 0.0684 0.00000
215 -0.0107 0.00000
216 -0.1215 0.00000
217 -0.3557 0.00000
218 0.1414 0.00000
219 0.0379 0.00000
220 0.0237 0.00000
221 -0.0545 0.00000
222 -0.0118 0.00000
223 -0.0514 0.00000
224 -0.0067 0.00000
225 -0.1267 0.00000
226 -0.0949 0.00000
227 -0.2011 0.00000
228 0.0455 0.00000
229 0.1778 0.00000
230 -0.0183 0.00000
231 -0.0280 0.00000
232 -0.1866 0.00000
233 -0.1788 0.00000
234 0.0469 0.00000
235 -0.0177 0.00000
236 0.0423 0.00000
237 0.0018 0.00000
238 -0.0084 0.00000
239 -0.0032 0.00000
240 -0.0567 0.00000
241 -0.0263 0.00000
242 -0.0217 0.00000
243 -0.0020 0.00000
244 -0.0197 0.00000
245 -0.0183 0.00000
246 -0.0143 0.00000
247 0.0357 0.00000
248 -0.0449 0.00000
249 -0.0283 0.00000
250 0.0526 0.00000
251 -0.0399 0.00000
252 0.0576 0.00000
253 0.0900 0.00000
254 0.0247 0.00000
255 -0.0343 0.00000
256 0.1423 0.00000
257 0.0071 0.00000
258 0.1763 0.00000
259 0.0560 0.00000
260 0.0107 0.00000
261 0.0538 0.00000
262 0.0111 0.00000
263 0.0192 0.00000
264 0.0328 0.00000
265 -0.0376 0.00000
266 -0.0288 0.00000
267 0.0156 0.00000
268 0.0708 0.00000
269 0.1310 0.00000
270 0.0418 0.00000
271 -0.0063 0.00000
272 -0.0128 0.00000
273 0.0040 0.00000
274 -0.0307 0.00000
275 -0.0078 0.00000
276 -0.0092 0.00000
277 -0.0086 0.00000
278 -0.1308 0.00000
279 0.0082 0.00000
280 0.1375 0.00000
281 0.0266 0.00000
282 -0.0248 0.00000
283 -0.0091 0.00000
284 0.0584 0.00000
285 0.0720 0.00000
286 0.0776 0.00000
287 0.0726 0.00000
288 -0.0363 0.00000
289 0.0237 0.00000
290 0.0554 0.00000
291 0.0092 0.00000
292 0.0183 0.00000
293 0.1779 0.00000
294 -0.0166 0.00000
295 0.0628 0.00000
296 0.3473 0.00000
297 0.2631 0.00000
298 -0.0634 0.00000
299 0.0243 0.00000
300 -0.0862 0.00000
301 -0.0005 0.00000
302 0.0208 0.00000
303 -0.0451 0.00000
304 -0.0552 0.00000
305 -0.0610 0.00000
306 0.0775 0.00000
307 0.0023 0.00000
308 0.0248 0.00000
309 0.1122 0.00000
310 0.0273 0.00000
311 0.0692 0.00000
312 -0.0363 0.00000
313 0.0241 0.00000
314 0.0636 0.00000
315 0.0523 0.00000
316 -0.0673 0.00000
317 0.0347 0.00000
318 0.0622 0.00000
319 0.0083 0.00000
320 -0.0516 0.00000
321 0.1053 0.00000
322 -0.0425 0.00000
323 -0.0156 0.00000
324 -0.0514 0.00000
325 -0.0401 0.00000
326 0.0274 0.00000
327 0.0845 0.00000
328 -0.0319 0.00000
329 0.0541 0.00000
330 -0.0899 0.00000
331 -0.1138 0.00000
332 -0.0878 0.00000
333 -0.0599 0.00000
334 -0.0441 0.00000
335 -0.0281 0.00000
336 -0.1104 0.00000
337 -0.0375 0.00000
338 -0.0433 0.00000
339 -0.0213 0.00000
340 -0.1896 0.00000
341 0.0317 0.00000
342 0.0399 0.00000
343 0.0155 0.00000
344 -0.0169 0.00000
345 -0.0150 0.00000
346 0.0324 0.00000
347 0.0613 0.00000
348 -0.0179 0.00000
349 -0.0151 0.00000
350 -0.0252 0.00000
351 0.0485 0.00000
352 0.0361 0.00000
353 0.0407 0.00000
354 0.0477 0.00000
355 0.0514 0.00000
356 0.0483 0.00000
357 0.0561 0.00000
358 0.0794 0.00000
359 0.0372 0.00000
360 0.0439 0.00000
361 -0.1019 0.00000
362 -0.0042 0.00000
363 0.0012 0.00000
364 0.0790 0.00000
365 -0.0260 0.00000
366 0.0528 0.00000
367 -0.0928 0.00000
368 0.0064 0.00000
369 -0.0079 0.00000
370 0.0386 0.00000
371 0.0855 0.00000
372 -0.0209 0.00000
373 0.0300 0.00000
374 0.0438 0.00000
375 0.0793 0.00000
376 0.0510 0.00000
377 -0.0210 0.00000
378 -0.0290 0.00000
379 -0.0409 0.00000
380 0.0073 0.00000
381 -0.0574 0.00000
382 -0.1352 0.00000
383 -0.0001 0.00000
384 0.0063 0.00000
385 -0.0164 0.00000
386 0.1073 0.00000
387 0.0089 0.00000
388 -0.0335 0.00000
389 -0.0034 0.00000
390 -0.0100 0.00000
391 0.0462 0.00000
392 0.0249 0.00000
393 0.0165 0.00000
394 0.0360 0.00000
395 -0.0183 0.00000
396 0.0867 0.00000
397 0.0270 0.00000
398 -0.0013 0.00000
399 0.0212 0.00000
400 -0.0305 0.00000
401 0.0417 0.00000
402 -0.0492 0.00000
403 -0.0299 0.00000
404 0.0545 0.00000
405 0.0026 0.00000
406 0.0010 0.00000
407 0.0418 0.00000
408 -0.1758 0.00000
409 -0.0141 0.00000
410 -0.0334 0.00000
411 -0.0116 0.00000
412 -0.0196 0.00000
413 0.0038 0.00000
414 0.0196 0.00000
415 0.0248 0.00000
416 -0.1753 0.00000
417 -0.0334 0.00000
418 -0.0468 0.00000
419 0.0129 0.00000
420 -0.0493 0.00000
421 -0.0043 0.00000
422 0.0567 0.00000
423 -0.0305 0.00000
424 0.0206 0.00000
425 0.0048 0.00000
426 -0.0754 0.00000
427 0.0051 0.00000
428 -0.0290 0.00000
429 -0.0609 0.00000
430 0.0433 0.00000
431 0.0025 0.00000
432 0.0327 0.00000
433 0.0238 0.00000
434 0.0105 0.00000
435 0.0549 0.00000
436 -0.0028 0.00000
437 -0.0510 0.00000
438 -0.0314 0.00000
439 -0.0439 0.00000
440 -0.0529 0.00000
441 0.0331 0.00000
442 -0.0843 0.00000
443 -0.0179 0.00000
444 -0.0099 0.00000
445 0.0161 0.00000
446 -0.0279 0.00000
447 -0.0781 0.00000
448 -0.0333 0.00000
449 0.0009 0.00000
450 -0.0193 0.00000
451 -0.0232 0.00000
452 -0.0112 0.00000
453 0.0395 0.00000
454 -0.0075 0.00000
455 0.0201 0.00000
456 -0.2448 0.00000
457 -0.0088 0.00000
458 0.1084 0.00000
459 0.0678 0.00000
460 -0.0219 0.00000
461 0.0262 0.00000
462 0.0309 0.00000
463 0.0348 0.00000
464 -0.0909 0.00000
465 -0.0904 0.00000
466 0.0078 0.00000
467 0.0474 0.00000
468 0.0546 0.00000
469 -0.2442 0.00000
470 0.0173 0.00000
471 -0.0215 0.00000
472 0.0728 0.00000
473 0.0580 0.00000
474 -0.1792 0.00000
475 -0.1281 0.00000
476 -0.0408 0.00000
477 -0.2989 0.00000
478 -0.0063 0.00000
479 -0.0259 0.00000
480 -0.0569 0.00000
481 -0.0776 0.00000
482 0.0249 0.00000
483 -0.0189 0.00000
484 0.0437 0.00000
485 -0.0079 0.00000
486 -0.0551 0.00000
487 -0.0053 0.00000
488 -0.0059 0.00000
489 -0.1534 0.00000
490 0.0088 0.00000
491 0.0623 0.00000
492 0.0075 0.00000
493 0.0279 0.00000
494 -0.0328 0.00000
495 -0.0652 0.00000
496 -0.0046 0.00000
497 0.0029 0.00000
498 -0.0211 0.00000
499 -0.0125 0.00000
500 -0.0001 0.00000
501 0.0114 0.00000
502 -0.0271 0.00000
503 0.0059 0.00000
504 -0.0115 0.00000
505 0.0884 0.00000
506 -0.0261 0.00000
507 -0.0127 0.00000
508 -0.0053 0.00000
509 -0.0179 0.00000
510 -0.0961 0.00000
511 0.0719 0.00000
512 -0.0144 0.00000
513 -0.0452 0.00000
514 0.0337 0.00000
515 -0.0337 0.00000
516 -0.0302 0.00000
517 -0.0985 0.00000
518 0.0594 0.00000
519 0.0052 0.00000
520 -0.0021 0.00000
521 0.0038 0.00000
522 -0.0625 0.00000
523 -0.1351 0.00000
524 0.0283 0.00000
525 -0.0450 0.00000
526 -0.0271 0.00000
527 0.0456 0.00000
528 0.0634 0.00000
529 -0.0089 0.00000
530 -0.0511 0.00000
531 0.0492 0.00000
532 -0.0330 0.00000
533 -0.0401 0.00000
534 0.0064 0.00000
535 -0.0867 0.00000
536 -0.1017 0.00000
537 -0.0737 0.00000
538 0.0388 0.00000
539 -0.0191 0.00000
540 -0.0515 0.00000
541 0.1162 0.00000
542 0.0006 0.00000
543 0.1558 0.00000
544 0.0816 0.00000
545 0.1181 0.00000
546 0.0805 0.00000
547 0.0172 0.00000
548 -0.1026 0.00000
549 0.0411 0.00000
550 0.0030 0.00000
551 0.0335 0.00000
552 -0.0126 0.00000
553 -0.0204 0.00000
554 0.0026 0.00000
555 -0.0076 0.00000
556 0.0421 0.00000
557 0.0461 0.00000
558 -0.0591 0.00000
559 0.0311 0.00000
560 0.0655 0.00000
561 -0.0018 0.00000
562 -0.0062 0.00000
563 0.0465 0.00000
564 0.0955 0.00000
565 0.2054 0.00000
566 -0.0993 0.00000
567 -0.0198 0.00000
568 0.1456 0.00000
569 0.0161 0.00000
570 -0.0503 0.00000
571 0.0384 0.00000
572 0.0726 0.00000
573 -0.0190 0.00000
574 -0.0124 0.00000
575 0.0563 0.00000
576 -0.0174 0.00000
577 -0.0636 0.00000
578 0.0092 0.00000
579 0.1484 0.00000
580 -0.0140 0.00000
581 0.1026 0.00000
582 -0.3063 0.00000
583 0.0745 0.00000
584 -0.6624 0.00000
585 0.0413 0.00000
586 0.0163 0.00000
587 0.1136 0.00000
588 0.0563 0.00000
589 -0.0030 0.00000
590 0.0703 0.00000
591 0.0438 0.00000
592 -0.0014 0.00000
593 -0.0349 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0003 0.00000
597 0.0011 0.00000
598 -0.0022 0.00000
599 0.0246 0.00000
600 0.0192 0.00000
601 0.0310 0.00000
602 0.0387 0.00000
603 0.0297 0.00000
604 0.0186 0.00000
605 0.0276 0.00000
606 -0.0466 0.00000
607 0.0075 0.00000
608 -0.0126 0.00000
609 0.0357 0.00000
610 0.0393 0.00000
611 -0.0179 0.00000
612 0.0876 0.00000
613 0.0431 0.00000
614 -0.0382 0.00000
615 -0.0350 0.00000
616 0.0149 0.00000
617 0.1527 0.00000
618 0.0774 0.00000
619 -0.0664 0.00000
620 -0.0162 0.00000
621 0.0186 0.00000
622 -0.0651 0.00000
623 0.0418 0.00000
624 -0.0686 0.00000
625 0.0905 0.00000
626 0.0257 0.00000
627 0.0098 0.00000
628 -0.0568 0.00000
629 0.0423 0.00000
630 0.0005 0.00000
631 -0.0225 0.00000
632 0.0947 0.00000
633 -0.0378 0.00000
634 -0.0065 0.00000
635 -0.0015 0.00000
636 0.0360 0.00000
637 0.0289 0.00000
638 0.0022 0.00000
639 -0.0436 0.00000
640 -0.0583 0.00000
641 -0.1417 0.00000
642 0.0458 0.00000
643 0.0227 0.00000
644 0.0148 0.00000
645 0.0424 0.00000
646 0.0564 0.00000
647 0.0254 0.00000
648 0.0616 0.00000
649 -0.0046 0.00000
650 -0.0092 0.00000
651 -0.0362 0.00000
652 0.0200 0.00000
653 0.0701 0.00000
654 0.0089 0.00000
655 0.0665 0.00000
656 0.0433 0.00000
657 -0.0400 0.00000
658 0.0292 0.00000
659 0.0103 0.00000
660 0.1161 0.00000
661 0.0339 0.00000
662 0.0016 0.00000
663 0.0120 0.00000
664 0.0027 0.00000
665 -0.0230 0.00000
666 0.1059 0.00000
667 0.0280 0.00000
668 0.0715 0.00000
669 0.0004 0.00000
670 0.0296 0.00000
671 -0.0206 0.00000
672 0.0569 0.00000
673 0.0088 0.00000
674 0.0426 0.00000
675 0.0622 0.00000
676 0.0290 0.00000
677 -0.0034 0.00000
678 0.0273 0.00000
679 -0.0437 0.00000
680 0.0251 0.00000
681 0.0622 0.00000
682 0.0247 0.00000
683 -0.0036 0.00000
684 0.0026 0.00000
685 0.0188 0.00000
686 -0.0839 0.00000
687 0.0203 0.00000
688 -0.0127 0.00000
689 -0.0994 0.00000
690 0.0771 0.00000
691 -0.0352 0.00000
692 0.0051 0.00000
693 0.0893 0.00000
694 -0.0043 0.00000
695 0.0529 0.00000
696 -0.0244 0.00000
697 0.0454 0.00000
698 0.0058 0.00000
699 0.0507 0.00000
700 0.0181 0.00000
701 0.0121 0.00000
702 -0.0116 0.00000
703 -0.0910 0.00000
704 -0.0143 0.00000
705 0.0557 0.00000
706 0.0157 0.00000
707 -0.0201 0.00000
708 0.0115 0.00000
709 0.0034 0.00000
710 -0.0110 0.00000
711 0.0076 0.00000
712 0.0146 0.00000
713 -0.0116 0.00000
714 0.1273 0.00000
715 0.0302 0.00000
716 0.0150 0.00000
717 0.0370 0.00000
718 -0.0181 0.00000
719 0.0174 0.00000
720 -0.0328 0.00000
721 0.0203 0.00000
722 0.0240 0.00000
723 0.0292 0.00000
724 0.0039 0.00000
725 -0.0304 0.00000
726 -0.0190 0.00000
727 0.0215 0.00000
728 0.0987 0.00000
729 0.0006 0.00000
730 0.0089 0.00000
731 -0.0276 0.00000
732 -0.0190 0.00000
733 -0.0130 0.00000
734 0.0235 0.00000
735 0.0396 0.00000
736 -0.0083 0.00000
737 0.0095 0.00000
738 -0.0257 0.00000
739 -0.0316 0.00000
740 -0.0607 0.00000
741 -0.0219 0.00000
742 -0.0133 0.00000
743 -0.0235 0.00000
744 0.0024 0.00000
745 -0.0108 0.00000
746 0.0059 0.00000
747 0.0039 0.00000
748 0.0069 0.00000
749 0.0065 0.00000
750 -0.0094 0.00000
751 0.0086 0.00000
752 -0.0034 0.00000
753 0.0094 0.00000
754 -0.0473 0.00000
755 0.0323 0.00000
756 -0.0009 0.00000
757 -0.0264 0.00000
758 0.0379 0.00000
759 0.0371 0.00000
760 -0.0247 0.00000
761 -0.0547 0.00000
762 0.0513 0.00000
763 0.0100 0.00000
764 -0.0549 0.00000
765 -0.0602 0.00000
766 0.0833 0.00000
767 -0.0337 0.00000
768 -0.0212 0.00000
769 -0.0195 0.00000
770 0.0325 0.00000
771 0.0563 0.00000
772 0.0640 0.00000
773 0.0281 0.00000
774 0.0325 0.00000
775 0.1467 0.00000
776 -0.0256 0.00000
777 -0.0424 0.00000
778 -0.0048 0.00000
779 0.0215 0.00000
780 -0.0344 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0057 0.00000
5 0.0978 0.00000
6 0.0753 0.00000
7 0.0132 0.00000
8 0.0649 0.00000
9 0.1471 0.00000
10 -0.0038 0.00000
11 0.0144 0.00000
12 -0.0432 0.00000
13 -0.1196 0.00000
14 -0.0227 0.00000
15 -0.1064 0.00000
16 -0.0223 0.00000
17 -0.0973 0.00000
18 -0.0001 0.00000
19 -0.0636 0.00000
20 -0.0393 0.00000
21 -0.0080 0.00000
22 0.0412 0.00000
23 0.1275 0.00000
24 -0.0097 0.00000
25 0.0300 0.00000
26 -0.4145 0.00000
27 -0.3689 0.00000
28 -0.0732 0.00000
29 0.0287 0.00000
30 -0.2741 0.00000
31 -0.0594 0.00000
32 -0.0668 0.00000
33 0.1664 0.00000
34 0.2396 0.00000
35 0.1019 0.00000
36 -0.0622 0.00000
37 -0.0847 0.00000
38 -0.0362 0.00000
39 -0.0284 0.00000
40 0.1373 0.00000
41 -0.1284 0.00000
42 -0.0437 0.00000
43 0.3056 0.00000
44 -0.8509 0.00000
45 -0.0509 0.00000
46 -0.0202 0.00000
47 0.0271 0.00000
48 -0.0053 0.00000
49 0.0644 0.00000
50 -0.0075 0.00000
51 0.0804 0.00000
52 0.0459 0.00000
53 0.0967 0.00000
54 0.0898 0.00000
55 0.0585 0.00000
56 -0.0222 0.00000
57 0.1783 0.00000
58 -0.0130 0.00000
59 -0.3304 0.00000
60 -0.0724 0.00000
61 -0.6356 0.00000
62 -0.0140 0.00000
63 -0.2903 0.00000
64 0.0389 0.00000
65 0.0481 0.00000
66 -0.8122 0.00000
67 -0.0202 0.00000
68 0.1150 0.00000
69 0.0052 0.00000
70 -0.0004 0.00000
71 0.4575 0.00000
72 0.1359 0.00000
73 0.0208 0.00000
74 -0.0401 0.00000
75 -0.3178 0.00000
76 -0.0082 0.00000
77 -0.1413 0.00000
78 -0.1839 0.00000
79 -0.4997 0.00000
80 0.0350 0.00000
81 -1.5759 0.00000
82 0.1060 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0423 0.00000
90 -0.0325 0.00000
91 -0.0583 0.00000
92 -0.0545 0.00000
93 0.3214 0.00000
94 0.0852 0.00000
95 0.0584 0.00000
96 -0.0029 0.00000
97 0.0202 0.00000
98 -0.2030 0.00000
99 -0.0720 0.00000
100 -0.3073 0.00000
101 -0.0705 0.00000
102 0.2035 0.00000
103 -0.1471 0.00000
104 0.2797 0.00000
105 -0.0559 0.00000
106 0.2476 0.00000
107 0.6367 0.00000
108 0.2923 0.00000
109 1.0516 0.00000
110 0.1010 0.00000
111 0.2590 0.00000
112 0.0382 0.00000
113 0.0559 0.00000
114 -0.1170 0.00000
115 -0.2575 0.00000
116 -0.0082 0.00000
117 -0.1696 0.00000
118 0.0810 0.00000
119 0.0632 0.00000
120 0.0608 0.00000
121 0.2662 0.00000
122 -0.0608 0.00000
123 0.2857 0.00000
124 0.0087 0.00000
125 0.0378 0.00000
126 -0.2795 0.00000
127 0.0432 0.00000
128 -0.0432 0.00000
129 0.0378 0.00000
130 -0.0473 0.00000
131 0.0080 0.00000
132 -0.0518 0.00000
133 0.3491 0.00000
134 -0.0778 0.00000
135 0.0711 0.00000
136 -0.2125 0.00000
137 -0.0395 0.00000
138 -0.5373 0.00000
139 0.1536 0.00000
140 0.1739 0.00000
141 -0.1535 0.00000
142 0.0058 0.00000
143 0.2030 0.00000
144 0.1871 0.00000
145 0.1422 0.00000
146 0.0513 0.00000
147 -0.0180 0.00000
148 0.0533 0.00000
149 -0.0138 0.00000
150 0.0927 0.00000
151 -0.0084 0.00000
152 -0.0032 0.00000
153 -0.0234 0.00000
154 0.0847 0.00000
155 0.0283 0.00000
156 0.0368 0.00000
157 -0.3062 0.00000
158 -0.0535 0.00000
159 -0.2088 0.00000
160 0.0449 0.00000
161 -0.0399 0.00000
162 0.0363 0.00000
163 -0.1576 0.00000
164 -0.0819 0.00000
165 0.1037 0.00000
166 -0.1021 0.00000
167 -0.0324 0.00000
168 -0.0340 0.00000
169 -0.0161 0.00000
170 0.0603 0.00000
171 0.1289 0.00000
172 0.0670 0.00000
173 -0.1080 0.00000
174 -0.0702 0.00000
175 0.0076 0.00000
176 -0.0955 0.00000
177 -0.1648 0.00000
178 -0.1260 0.00000
179 -0.0020 0.00000
180 0.0617 0.00000
181 0.0742 0.00000
182 -0.0584 0.00000
183 0.0740 0.00000
184 -0.0268 0.00000
185 -0.1119 0.00000
186 0.0042 0.00000
187 0.0106 0.00000
188 -0.0680 0.00000
189 0.0353 0.00000
190 0.0880 0.00000
191 -0.0422 0.00000
192 0.0477 0.00000
193 0.0169 0.00000
194 0.0934 0.00000
195 -0.1732 0.00000
196 0.2063 0.00000
197 0.1068 0.00000
198 -0.6302 0.00000
199 -0.0672 0.00000
200 -0.0073 0.00000
201 -0.2838 0.00000
202 -0.2235 0.00000
203 0.0002 0.00000
204 0.0206 0.00000
205 -0.1707 0.00000
206 -0.0719 0.00000
207 0.0675 0.00000
208 -0.0601 0.00000
209 -0.0095 0.00000
210 -0.0130 0.00000
211 0.0158 0.00000
212 0.0286 0.00000
213 0.0224 0.00000
214 0.0640 0.00000
215 -0.0164 0.00000
216 -0.2605 0.00000
217 -0.0112 0.00000
218 -0.0143 0.00000
219 -0.0781 0.00000
220 -0.0687 0.00000
221 -0.0885 0.00000
222 0.0056 0.00000
223 -0.0690 0.00000
224 -0.0290 0.00000
225 -0.0306 0.00000
226 -0.0734 0.00000
227 -0.2074 0.00000
228 0.0347 0.00000
229 0.1802 0.00000
230 -0.0046 0.00000
231 -0.0283 0.00000
232 -0.2242 0.00000
233 -0.1387 0.00000
234 0.0756 0.00000
235 -0.0255 0.00000
236 0.0452 0.00000
237 0.0085 0.00000
238 -0.0202 0.00000
239 -0.0243 0.00000
240 -0.0102 0.00000
241 -0.0759 0.00000
242 -0.0101 0.00000
243 -0.0060 0.00000
244 0.0021 0.00000
245 -0.0190 0.00000
246 -0.0065 0.00000
247 -0.0034 0.00000
248 -0.0347 0.00000
249 0.0062 0.00000
250 0.0415 0.00000
251 0.0181 0.00000
252 0.0085 0.00000
253 -0.0229 0.00000
254 0.0284 0.00000
255 0.0257 0.00000
256 0.1248 0.00000
257 0.2465 0.00000
258 0.0548 0.00000
259 0.0323 0.00000
260 0.0008 0.00000
261 0.0101 0.00000
262 0.0266 0.00000
263 0.0246 0.00000
264 -0.0442 0.00000
265 0.0320 0.00000
266 -0.0196 0.00000
267 0.0508 0.00000
268 0.0430 0.00000
269 -0.0067 0.00000
270 0.0200 0.00000
271 0.0986 0.00000
272 0.0004 0.00000
273 0.0236 0.00000
274 -0.0411 0.00000
275 0.0299 0.00000
276 -0.0768 0.00000
277 0.1084 0.00000
278 -0.0730 0.00000
279 -0.0437 0.00000
280 0.0030 0.00000
281 0.0360 0.00000
282 0.0016 0.00000
283 0.0955 0.00000
284 0.0550 0.00000
285 0.0293 0.00000
286 -0.0023 0.00000
287 0.0305 0.00000
288 0.0103 0.00000
289 -0.0350 0.00000
290 0.1981 0.00000
291 0.1161 0.00000
292 0.0337 0.00000
293 -0.0510 0.00000
294 0.2003 0.00000
295 0.2176 0.00000
296 0.0100 0.00000
297 0.0938 0.00000
298 -0.0101 0.00000
299 -0.0388 0.00000
300 0.0698 0.00000
301 -0.0678 0.00000
302 0.1582 0.00000
303 0.0096 0.00000
304 -0.0668 0.00000
305 0.0229 0.00000
306 0.0328 0.00000
307 0.1000 0.00000
308 -0.1117 0.00000
309 0.0457 0.00000
310 0.0581 0.00000
311 -0.0369 0.00000
312 0.0586 0.00000
313 -0.0013 0.00000
314 -0.0469 0.00000
315 0.0871 0.00000
316 0.0351 0.00000
317 0.0302 0.00000
318 0.0296 0.00000
319 0.0416 0.00000
320 -0.0112 0.00000
321 -0.0319 0.00000
322 0.0154 0.00000
323 0.0047 0.00000
324 -0.0402 0.00000
325 0.0069 0.00000
326 -0.0416 0.00000
327 -0.0960 0.00000
328 0.0097 0.00000
329 -0.0545 0.00000
330 -0.1049 0.00000
331 -0.0117 0.00000
332 0.0071 0.00000
333 0.0308 0.00000
334 -0.0579 0.00000
335 -0.1078 0.00000
336 -0.0258 0.00000
337 -0.0781 0.00000
338 0.0395 0.00000
339 -0.0012 0.00000
340 -0.0465 0.00000
341 -0.0672 0.00000
342 -0.0608 0.00000
343 0.0326 0.00000
344 0.0085 0.00000
345 0.0293 0.00000
346 -0.0088 0.00000
347 0.0059 0.00000
348 0.0166 0.00000
349 0.0107 0.00000
350 -0.0194 0.00000
351 0.0012 0.00000
352 0.0584 0.00000
353 0.0697 0.00000
354 -0.0191 0.00000
355 0.0305 0.00000
356 0.0338 0.00000
357 0.0231 0.00000
358 0.0759 0.00000
359 0.0739 0.00000
360 -0.0289 0.00000
361 -0.0550 0.00000
362 0.0308 0.00000
363 -0.0238 0.00000
364 0.0570 0.00000
365 0.0134 0.00000
366 -0.1064 0.00000
367 0.0890 0.00000
368 0.0599 0.00000
369 0.0499 0.00000
370 0.0231 0.00000
371 0.0959 0.00000
372 -0.0341 0.00000
373 0.0407 0.00000
374 0.0641 0.00000
375 -0.0197 0.00000
376 -0.0158 0.00000
377 -0.0118 0.00000
378 0.0161 0.00000
379 0.0362 0.00000
380 -0.0224 0.00000
381 -0.0430 0.00000
382 -0.0129 0.00000
383 -0.1051 0.00000
384 -0.0846 0.00000
385 0.0507 0.00000
386 0.0111 0.00000
387 -0.0815 0.00000
388 0.0313 0.00000
389 0.0518 0.00000
390 -0.0021 0.00000
391 0.0763 0.00000
392 -0.0089 0.00000
393 0.0158 0.00000
394 0.1498 0.00000
395 -0.0007 0.00000
396 0.0382 0.00000
397 -0.0023 0.00000
398 -0.0084 0.00000
399 -0.0699 0.00000
400 0.0267 0.00000
401 0.0202 0.00000
402 0.0169 0.00000
403 -0.0450 0.00000
404 -0.0451 0.00000
405 0.0058 0.00000
406 0.0866 0.00000
407 -0.0393 0.00000
408 -0.0056 0.00000
409 0.0189 0.00000
410 -0.0084 0.00000
411 0.0499 0.00000
412 -0.0356 0.00000
413 -0.0276 0.00000
414 -0.2079 0.00000
415 -0.0221 0.00000
416 -0.0675 0.00000
417 -0.0143 0.00000
418 -0.0422 0.00000
419 -0.0672 0.00000
420 -0.0308 0.00000
421 -0.0028 0.00000
422 -0.0073 0.00000
423 0.0291 0.00000
424 -0.1152 0.00000
425 -0.0615 0.00000
426 -0.0789 0.00000
427 -0.0318 0.00000
428 0.0188 0.00000
429 0.0126 0.00000
430 0.0573 0.00000
431 0.0198 0.00000
432 -0.0474 0.00000
433 0.0724 0.00000
434 0.0262 0.00000
435 0.0049 0.00000
436 -0.0447 0.00000
437 0.0098 0.00000
438 -0.0355 0.00000
439 -0.0756 0.00000
440 0.0420 0.00000
441 -0.0196 0.00000
442 0.0347 0.00000
443 0.0527 0.00000
444 0.0524 0.00000
445 -0.1802 0.00000
446 -0.0000 0.00000
447 -0.0826 0.00000
448 -0.0342 0.00000
449 -0.0638 0.00000
450 -0.0227 0.00000
451 0.0051 0.00000
452 0.0530 0.00000
453 0.0301 0.00000
454 -0.0547 0.00000
455 -0.1076 0.00000
456 -0.0073 0.00000
457 0.1126 0.00000
458 0.0549 0.00000
459 0.0226 0.00000
460 -0.0320 0.00000
461 -0.0409 0.00000
462 0.1112 0.00000
463 0.0451 0.00000
464 -0.1116 0.00000
465 0.1108 0.00000
466 0.0032 0.00000
467 -0.1271 0.00000
468 -0.0485 0.00000
469 0.0363 0.00000
470 -0.2496 0.00000
471 -0.0733 0.00000
472 -0.1457 0.00000
473 0.0424 0.00000
474 -0.1234 0.00000
475 -0.0740 0.00000
476 0.0084 0.00000
477 0.0399 0.00000
478 -0.0998 0.00000
479 0.0302 0.00000
480 0.0531 0.00000
481 -0.1893 0.00000
482 -0.0321 0.00000
483 0.0205 0.00000
484 -0.0780 0.00000
485 0.0142 0.00000
486 0.0047 0.00000
487 -0.0059 0.00000
488 0.0165 0.00000
489 -0.0035 0.00000
490 0.0365 0.00000
491 0.0258 0.00000
492 -0.2636 0.00000
493 0.0152 0.00000
494 0.0548 0.00000
495 0.0390 0.00000
496 -0.1596 0.00000
497 0.0040 0.00000
498 -0.0040 0.00000
499 0.0256 0.00000
500 -0.0089 0.00000
501 0.0119 0.00000
502 -0.0196 0.00000
503 -0.0071 0.00000
504 0.0731 0.00000
505 0.0299 0.00000
506 -0.0618 0.00000
507 -0.0020 0.00000
508 -0.0892 0.00000
509 -0.0171 0.00000
510 -0.1433 0.00000
511 0.0557 0.00000
512 0.0304 0.00000
513 -0.0401 0.00000
514 -0.0061 0.00000
515 -0.0156 0.00000
516 0.0364 0.00000
517 -0.0028 0.00000
518 -0.0255 0.00000
519 -0.0490 0.00000
520 -0.0183 0.00000
521 0.0213 0.00000
522 0.1038 0.00000
523 0.0138 0.00000
524 -0.0062 0.00000
525 0.0007 0.00000
526 -0.0206 0.00000
527 0.0099 0.00000
528 0.0224 0.00000
529 0.0276 0.00000
530 -0.1176 0.00000
531 -0.1049 0.00000
532 -0.0096 0.00000
533 -0.0276 0.00000
534 0.0119 0.00000
535 -0.1755 0.00000
536 -0.0627 0.00000
537 -0.0266 0.00000
538 0.0598 0.00000
539 -0.0329 0.00000
540 -0.0088 0.00000
541 0.0273 0.00000
542 0.0091 0.00000
543 0.0224 0.00000
544 -0.0063 0.00000
545 0.1509 0.00000
546 -0.0361 0.00000
547 0.0380 0.00000
548 -0.0534 0.00000
549 0.0720 0.00000
550 0.0135 0.00000
551 0.1226 0.00000
552 -0.0766 0.00000
553 0.0578 0.00000
554 0.0202 0.00000
555 0.0625 0.00000
556 -0.1030 0.00000
557 0.0107 0.00000
558 0.1150 0.00000
559 0.0329 0.00000
560 -0.0508 0.00000
561 0.0326 0.00000
562 0.0622 0.00000
563 0.0865 0.00000
564 0.1148 0.00000
565 0.0799 0.00000
566 0.0285 0.00000
567 0.0811 0.00000
568 0.0710 0.00000
569 -0.0618 0.00000
570 0.0843 0.00000
571 0.0194 0.00000
572 0.0025 0.00000
573 -0.1916 0.00000
574 0.0963 0.00000
575 0.0493 0.00000
576 0.0078 0.00000
577 -0.0039 0.00000
578 0.0990 0.00000
579 -0.3071 0.00000
580 0.0880 0.00000
581 0.0605 0.00000
582 0.0141 0.00000
583 0.0152 0.00000
584 -0.5938 0.00000
585 -0.0344 0.00000
586 -0.0232 0.00000
587 0.1189 0.00000
588 0.0712 0.00000
589 -0.0017 0.00000
590 0.0922 0.00000
591 0.0169 0.00000
592 0.0054 0.00000
593 -0.0359 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0003 0.00000
597 0.0011 0.00000
598 -0.0176 0.00000
599 0.0541 0.00000
600 0.0203 0.00000
601 0.0402 0.00000
602 0.0143 0.00000
603 0.0238 0.00000
604 -0.0182 0.00000
605 0.0308 0.00000
606 -0.0238 0.00000
607 0.0062 0.00000
608 0.0280 0.00000
609 0.0482 0.00000
610 0.0323 0.00000
611 0.0313 0.00000
612 0.0336 0.00000
613 0.0237 0.00000
614 -0.0045 0.00000
615 0.0434 0.00000
616 -0.0539 0.00000
617 -0.0002 0.00000
618 0.0396 0.00000
619 0.0453 0.00000
620 0.0196 0.00000
621 -0.0646 0.00000
622 0.0241 0.00000
623 -0.0798 0.00000
624 0.0218 0.00000
625 0.0642 0.00000
626 0.0249 0.00000
627 0.0245 0.00000
628 0.0625 0.00000
629 0.0116 0.00000
630 -0.0627 0.00000
631 0.0180 0.00000
632 -0.0490 0.00000
633 -0.0116 0.00000
634 0.0140 0.00000
635 -0.0127 0.00000
636 -0.0350 0.00000
637 0.0278 0.00000
638 0.0463 0.00000
639 0.0221 0.00000
640 0.0360 0.00000
641 0.0402 0.00000
642 -0.0290 0.00000
643 -0.0008 0.00000
644 0.0076 0.00000
645 0.0518 0.00000
646 -0.0105 0.00000
647 0.0249 0.00000
648 -0.0651 0.00000
649 0.0418 0.00000
650 -0.0071 0.00000
651 0.0758 0.00000
652 0.0574 0.00000
653 0.0184 0.00000
654 0.0263 0.00000
655 0.0200 0.00000
656 0.0511 0.00000
657 -0.0341 0.00000
658 0.0765 0.00000
659 0.0308 0.00000
660 0.0145 0.00000
661 0.0235 0.00000
662 0.0212 0.00000
663 -0.0460 0.00000
664 -0.0635 0.00000
665 0.0240 0.00000
666 0.0381 0.00000
667 0.0880 0.00000
668 -0.0780 0.00000
669 -0.0322 0.00000
670 0.1140 0.00000
671 0.1193 0.00000
672 0.0783 0.00000
673 0.0070 0.00000
674 0.0122 0.00000
675 0.0904 0.00000
676 -0.0831 0.00000
677 -0.0114 0.00000
678 0.0369 0.00000
679 0.0235 0.00000
680 0.0455 0.00000
681 -0.0055 0.00000
682 -0.0175 0.00000
683 0.0109 0.00000
684 -0.0223 0.00000
685 0.0315 0.00000
686 0.0118 0.00000
687 0.0431 0.00000
688 0.0017 0.00000
689 0.0369 0.00000
690 0.0920 0.00000
691 -0.0054 0.00000
692 -0.0607 0.00000
693 0.0102 0.00000
694 -0.0381 0.00000
695 -0.0038 0.00000
696 -0.0168 0.00000
697 -0.0355 0.00000
698 0.0301 0.00000
699 0.0329 0.00000
700 -0.0093 0.00000
701 -0.0277 0.00000
702 0.0164 0.00000
703 0.0214 0.00000
704 0.0471 0.00000
705 0.0273 0.00000
706 0.0085 0.00000
707 -0.0027 0.00000
708 0.0275 0.00000
709 0.0035 0.00000
710 0.0434 0.00000
711 -0.0248 0.00000
712 -0.0342 0.00000
713 0.0258 0.00000
714 0.0465 0.00000
715 0.0603 0.00000
716 -0.0162 0.00000
717 -0.0166 0.00000
718 -0.0201 0.00000
719 0.0227 0.00000
720 0.0190 0.00000
721 0.0808 0.00000
722 -0.0036 0.00000
723 -0.0225 0.00000
724 0.0134 0.00000
725 -0.0109 0.00000
726 -0.0168 0.00000
727 -0.0032 0.00000
728 0.0102 0.00000
729 0.0040 0.00000
730 0.0365 0.00000
731 0.1051 0.00000
732 -0.0184 0.00000
733 -0.0595 0.00000
734 -0.0017 0.00000
735 -0.0475 0.00000
736 0.0559 0.00000
737 -0.0258 0.00000
738 -0.0516 0.00000
739 0.0108 0.00000
740 -0.0498 0.00000
741 -0.0235 0.00000
742 0.0234 0.00000
743 -0.0282 0.00000
744 -0.0160 0.00000
745 0.0267 0.00000
746 -0.0233 0.00000
747 0.1150 0.00000
748 0.0609 0.00000
749 -0.0155 0.00000
750 0.0357 0.00000
751 0.0144 0.00000
752 0.0018 0.00000
753 -0.0112 0.00000
754 -0.1450 0.00000
755 0.0068 0.00000
756 -0.0253 0.00000
757 0.0217 0.00000
758 0.0562 0.00000
759 -0.0236 0.00000
760 -0.0347 0.00000
761 -0.0078 0.00000
762 -0.0118 0.00000
763 0.0256 0.00000
764 -0.0795 0.00000
765 0.0157 0.00000
766 0.0916 0.00000
767 -0.0310 0.00000
768 0.0505 0.00000
769 -0.0210 0.00000
770 -0.0370 0.00000
771 0.0119 0.00000
772 0.0230 0.00000
773 0.0098 0.00000
774 -0.0344 0.00000
775 -0.0267 0.00000
776 0.0246 0.00000
777 0.0041 0.00000
778 0.0448 0.00000
779 0.0325 0.00000
780 0.0195 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0132 0.00000
2 0.0388 0.00000
3 0.0972 0.00000
4 -0.0047 0.00000
5 0.0967 0.00000
6 0.0752 0.00000
7 0.0134 0.00000
8 0.0653 0.00000
9 0.1466 0.00000
10 -0.0036 0.00000
11 0.0144 0.00000
12 -0.0432 0.00000
13 -0.1197 0.00000
14 -0.0226 0.00000
15 -0.1064 0.00000
16 -0.0251 0.00000
17 -0.0437 0.00000
18 -0.0486 0.00000
19 -0.0727 0.00000
20 -0.0335 0.00000
21 -0.0078 0.00000
22 0.0390 0.00000
23 0.1261 0.00000
24 0.0190 0.00000
25 0.0052 0.00000
26 -0.5130 0.00000
27 -0.2732 0.00000
28 -0.0691 0.00000
29 0.0264 0.00000
30 -0.2443 0.00000
31 -0.0871 0.00000
32 -0.0691 0.00000
33 0.1744 0.00000
34 0.2482 0.00000
35 0.0840 0.00000
36 -0.0712 0.00000
37 -0.0535 0.00000
38 -0.0436 0.00000
39 -0.0366 0.00000
40 0.1335 0.00000
41 -0.1249 0.00000
42 -0.0506 0.00000
43 0.3091 0.00000
44 -0.2763 0.00000
45 -0.6267 0.00000
46 0.0582 0.00000
47 -0.0439 0.00000
48 -0.0152 0.00000
49 -0.0059 0.00000
50 0.0630 0.00000
51 0.0805 0.00000
52 0.0440 0.00000
53 0.0986 0.00000
54 0.1060 0.00000
55 0.0582 0.00000
56 -0.0549 0.00000
57 0.1784 0.00000
58 -0.0137 0.00000
59 -0.0675 0.00000
60 -0.3476 0.00000
61 -0.6091 0.00000
62 -0.1003 0.00000
63 -0.1587 0.00000
64 -0.0022 0.00000
65 0.0020 0.00000
66 -0.7509 0.00000
67 -0.0635 0.00000
68 0.1459 0.00000
69 0.0056 0.00000
70 0.0003 0.00000
71 0.4565 0.00000
72 0.1357 0.00000
73 0.0208 0.00000
74 -0.0404 0.00000
75 -0.3289 0.00000
76 0.0039 0.00000
77 -0.1321 0.00000
78 -0.1831 0.00000
79 -0.5120 0.00000
80 0.0339 0.00000
81 -1.5730 0.00000
82 0.1059 0.00000
83 0.0930 0.00000
84 -0.0434 0.00000
85 0.0467 0.00000
86 -0.0200 0.00000
87 0.0123 0.00000
88 -0.0380 0.00000
89 0.0422 0.00000
90 -0.0326 0.00000
91 -0.0582 0.00000
92 -0.0535 0.00000
93 0.3174 0.00000
94 0.0889 0.00000
95 0.0587 0.00000
96 -0.0105 0.00000
97 0.0205 0.00000
98 -0.2716 0.00000
99 -0.0802 0.00000
100 -0.1282 0.00000
101 -0.1736 0.00000
102 0.2065 0.00000
103 -0.1375 0.00000
104 0.2314 0.00000
105 -0.0525 0.00000
106 0.3735 0.00000
107 0.6064 0.00000
108 0.0831 0.00000
109 1.1162 0.00000
110 0.0525 0.00000
111 0.3689 0.00000
112 0.0686 0.00000
113 0.0822 0.00000
114 -0.0718 0.00000
115 -0.3216 0.00000
116 -0.0020 0.00000
117 -0.1886 0.00000
118 0.0743 0.00000
119 0.1148 0.00000
120 0.0579 0.00000
121 0.2450 0.00000
122 -0.0914 0.00000
123 0.2675 0.00000
124 -0.0246 0.00000
125 0.0872 0.00000
126 -0.2627 0.00000
127 0.0679 0.00000
128 -0.1045 0.00000
129 0.0405 0.00000
130 -0.0540 0.00000
131 0.0447 0.00000
132 -0.0734 0.00000
133 0.3553 0.00000
134 -0.0613 0.00000
135 0.0694 0.00000
136 -0.2098 0.00000
137 -0.0380 0.00000
138 -0.5469 0.00000
139 0.1722 0.00000
140 0.1744 0.00000
141 -0.1546 0.00000
142 0.0050 0.00000
143 0.1869 0.00000
144 0.1930 0.00000
145 0.1419 0.00000
146 0.0525 0.00000
147 -0.0181 0.00000
148 0.0538 0.00000
149 -0.0135 0.00000
150 0.0830 0.00000
151 0.0052 0.00000
152 -0.0165 0.00000
153 -0.0111 0.00000
154 0.1255 0.00000
155 -0.1237 0.00000
156 -0.0586 0.00000
157 -0.0487 0.00000
158 0.0272 0.00000
159 -0.3194 0.00000
160 -0.0395 0.00000
161 -0.0660 0.00000
162 0.0379 0.00000
163 -0.0008 0.00000
164 0.1435 0.00000
165 -0.1760 0.00000
166 -0.0610 0.00000
167 -0.0848 0.00000
168 0.0304 0.00000
169 0.0492 0.00000
170 -0.0324 0.00000
171 -0.1356 0.00000
172 0.1085 0.00000
173 -0.0715 0.00000
174 0.0285 0.00000
175 0.0283 0.00000
176 0.0213 0.00000
177 0.0314 0.00000
178 -0.3212 0.00000
179 -0.0447 0.00000
180 -0.0020 0.00000
181 0.0514 0.00000
182 -0.0120 0.00000
183 0.0085 0.00000
184 -0.0222 0.00000
185 0.0306 0.00000
186 -0.0602 0.00000
187 -0.0878 0.00000
188 -0.0602 0.00000
189 0.0618 0.00000
190 0.0394 0.00000
191 0.0319 0.00000
192 0.0760 0.00000
193 0.0246 0.00000
194 -0.0358 0.00000
195 0.0653 0.00000
196 0.1588 0.00000
197 -0.0162 0.00000
198 -0.4605 0.00000
199 -0.4639 0.00000
200 -0.0060 0.00000
201 -0.0055 0.00000
202 -0.1928 0.00000
203 -0.0576 0.00000
204 -0.0881 0.00000
205 -0.0432 0.00000
206 0.0025 0.00000
207 -0.0194 0.00000
208 -0.0598 0.00000
209 -0.0140 0.00000
210 -0.0257 0.00000
211 0.0438 0.00000
212 0.0104 0.00000
213 0.0432 0.00000
214 0.0334 0.00000
215 -0.0000 0.00000
216 -0.0754 0.00000
217 0.0083 0.00000
218 -0.4613 0.00000
219 0.1392 0.00000
220 -0.0224 0.00000
221 -0.0759 0.00000
222 -0.0022 0.00000
223 -0.0523 0.00000
224 -0.0235 0.00000
225 -0.0977 0.00000
226 -0.0733 0.00000
227 -0.1816 0.00000
228 0.0365 0.00000
229 0.1817 0.00000
230 -0.0072 0.00000
231 -0.0283 0.00000
232 -0.2120 0.00000
233 -0.1552 0.00000
234 0.0747 0.00000
235 -0.0232 0.00000
236 0.0513 0.00000
237 -0.0013 0.00000
238 -0.0209 0.00000
239 -0.0216 0.00000
240 -0.0135 0.00000
241 -0.0615 0.00000
242 -0.0017 0.00000
243 -0.0170 0.00000
244 -0.0083 0.00000
245 -0.0232 0.00000
246 0.0005 0.00000
247 0.0129 0.00000
248 -0.0558 0.00000
249 -0.0008 0.00000
250 0.0492 0.00000
251 -0.0261 0.00000
252 0.0243 0.00000
253 0.0139 0.00000
254 0.1518 0.00000
255 0.0170 0.00000
256 0.1055 0.00000
257 0.0347 0.00000
258 0.1121 0.00000
259 0.0028 0.00000
260 0.0522 0.00000
261 0.0467 0.00000
262 0.0391 0.00000
263 -0.0463 0.00000
264 0.0227 0.00000
265 0.0088 0.00000
266 -0.0115 0.00000
267 0.1038 0.00000
268 0.0119 0.00000
269 0.0018 0.00000
270 0.0355 0.00000
271 0.0020 0.00000
272 0.0325 0.00000
273 0.0355 0.00000
274 -0.0327 0.00000
275 0.0345 0.00000
276 -0.0915 0.00000
277 -0.0073 0.00000
278 0.0331 0.00000
279 -0.0023 0.00000
280 0.0519 0.00000
281 -0.0114 0.00000
282 0.0555 0.00000
283 -0.0179 0.00000
284 0.0595 0.00000
285 0.0378 0.00000
286 0.0407 0.00000
287 0.0683 0.00000
288 0.0441 0.00000
289 0.0007 0.00000
290 -0.0209 0.00000
291 -0.0527 0.00000
292 0.0125 0.00000
293 0.4435 0.00000
294 0.2513 0.00000
295 0.0258 0.00000
296 0.0871 0.00000
297 0.0823 0.00000
298 -0.0328 0.00000
299 -0.0316 0.00000
300 0.0008 0.00000
301 -0.0162 0.00000
302 -0.0346 0.00000
303 0.0564 0.00000
304 -0.1310 0.00000
305 0.0642 0.00000
306 0.0396 0.00000
307 -0.0332 0.00000
308 0.0933 0.00000
309 0.1031 0.00000
310 -0.0073 0.00000
311 0.0267 0.00000
312 -0.0492 0.00000
313 0.0285 0.00000
314 -0.0341 0.00000
315 0.1196 0.00000
316 0.0125 0.00000
317 0.0329 0.00000
318 0.0348 0.00000
319 0.0433 0.00000
320 -0.0025 0.00000
321 -0.0178 0.00000
322 0.0513 0.00000
323 -0.0753 0.00000
324 -0.0796 0.00000
325 0.0386 0.00000
326 -0.0014 0.00000
327 -0.0110 0.00000
328 -0.1030 0.00000
329 -0.0546 0.00000
330 -0.0161 0.00000
331 -0.0349 0.00000
332 -0.0059 0.00000
333 0.0645 0.00000
334 -0.0544 0.00000
335 -0.1032 0.00000
336 -0.0806 0.00000
337 -0.0622 0.00000
338 -0.0693 0.00000
339 -0.0376 0.00000
340 0.0148 0.00000
341 -0.1476 0.00000
342 -0.0111 0.00000
343 0.0105 0.00000
344 0.0523 0.00000
345 0.0219 0.00000
346 0.0427 0.00000
347 0.0161 0.00000
348 0.0015 0.00000
349 -0.0418 0.00000
350 -0.0009 0.00000
351 0.0329 0.00000
352 -0.0126 0.00000
353 0.0572 0.00000
354 0.0573 0.00000
355 0.0446 0.00000
356 0.0266 0.00000
357 0.0891 0.00000
358 -0.0281 0.00000
359 0.0561 0.00000
360 -0.0100 0.00000
361 -0.0870 0.00000
362 0.0389 0.00000
363 0.0302 0.00000
364 0.1040 0.00000
365 -0.0201 0.00000
366 0.0417 0.00000
367 0.0387 0.00000
368 -0.0435 0.00000
369 0.0168 0.00000
370 0.0315 0.00000
371 0.1137 0.00000
372 -0.0337 0.00000
373 0.0287 0.00000
374 -0.0034 0.00000
375 0.1505 0.00000
376 0.0034 0.00000
377 -0.0341 0.00000
378 -0.0324 0.00000
379 -0.0014 0.00000
380 -0.0936 0.00000
381 -0.0518 0.00000
382 0.0105 0.00000
383 0.0268 0.00000
384 -0.1066 0.00000
385 0.0140 0.00000
386 0.0343 0.00000
387 -0.0586 0.00000
388 -0.0086 0.00000
389 0.0211 0.00000
390 -0.0293 0.00000
391 0.0207 0.00000
392 0.0216 0.00000
393 0.0081 0.00000
394 0.0303 0.00000
395 0.0575 0.00000
396 0.0895 0.00000
397 -0.0391 0.00000
398 0.0011 0.00000
399 0.0169 0.00000
400 0.0832 0.00000
401 0.0559 0.00000
402 -0.0175 0.00000
403 -0.0831 0.00000
404 0.0088 0.00000
405 -0.0314 0.00000
406 -0.0124 0.00000
407 -0.0224 0.00000
408 -0.0971 0.00000
409 0.0339 0.00000
410 -0.0149 0.00000
411 0.0547 0.00000
412 -0.0055 0.00000
413 -0.0470 0.00000
414 0.0347 0.00000
415 -0.2035 0.00000
416 0.0178 0.00000
417 -0.0645 0.00000
418 -0.0202 0.00000
419 -0.0079 0.00000
420 -0.0031 0.00000
421 -0.0272 0.00000
422 0.0166 0.00000
423 -0.0616 0.00000
424 0.0329 0.00000
425 -0.0334 0.00000
426 -0.0537 0.00000
427 -0.0121 0.00000
428 0.0148 0.00000
429 -0.1306 0.00000
430 0.0850 0.00000
431 0.0317 0.00000
432 0.0438 0.00000
433 -0.0355 0.00000
434 0.0467 0.00000
435 0.0778 0.00000
436 -0.0384 0.00000
437 -0.0783 0.00000
438 0.0052 0.00000
439 0.0269 0.00000
440 -0.0555 0.00000
441 0.0058 0.00000
442 -0.0977 0.00000
443 -0.1361 0.00000
444 -0.1071 0.00000
445 -0.0467 0.00000
446 0.0173 0.00000
447 -0.0112 0.00000
448 0.0254 0.00000
449 0.0201 0.00000
450 -0.0715 0.00000
451 -0.0580 0.00000
452 0.0030 0.00000
453 0.0138 0.00000
454 0.1063 0.00000
455 0.0262 0.00000
456 -0.0250 0.00000
457 -0.0058 0.00000
458 -0.0297 0.00000
459 0.0229 0.00000
460 0.1354 0.00000
461 -0.1040 0.00000
462 -0.0088 0.00000
463 0.0242 0.00000
464 0.0042 0.00000
465 0.0738 0.00000
466 -0.0592 0.00000
467 -0.2294 0.00000
468 0.0255 0.00000
469 -0.0334 0.00000
470 -0.0092 0.00000
471 -0.0240 0.00000
472 -0.1027 0.00000
473 -0.0119 0.00000
474 0.0587 0.00000
475 -0.1553 0.00000
476 -0.0657 0.00000
477 -0.1360 0.00000
478 -0.1215 0.00000
479 -0.1636 0.00000
480 -0.0002 0.00000
481 -0.0148 0.00000
482 0.0735 0.00000
483 -0.0845 0.00000
484 0.0832 0.00000
485 0.0209 0.00000
486 -0.0379 0.00000
487 0.0181 0.00000
488 0.0197 0.00000
489 0.0200 0.00000
490 -0.0421 0.00000
491 0.0207 0.00000
492 -0.1948 0.00000
493 -0.0092 0.00000
494 -0.0420 0.00000
495 0.0484 0.00000
496 -0.0310 0.00000
497 -0.0683 0.00000
498 0.0038 0.00000
499 0.0016 0.00000
500 0.0033 0.00000
501 0.0654 0.00000
502 0.0152 0.00000
503 -0.0093 0.00000
504 -0.0152 0.00000
505 -0.0964 0.00000
506 0.0413 0.00000
507 -0.0204 0.00000
508 0.0040 0.00000
509 -0.0014 0.00000
510 0.0421 0.00000
511 -0.0544 0.00000
512 0.0124 0.00000
513 0.0174 0.00000
514 0.0063 0.00000
515 -0.0777 0.00000
516 0.0823 0.00000
517 -0.0235 0.00000
518 -0.0666 0.00000
519 0.0029 0.00000
520 -0.0936 0.00000
521 -0.0050 0.00000
522 -0.0506 0.00000
523 -0.0325 0.00000
524 -0.0254 0.00000
525 -0.0444 0.00000
526 -0.0062 0.00000
527 0.1091 0.00000
528 -0.0051 0.00000
529 -0.0288 0.00000
530 0.0292 0.00000
531 -0.0134 0.00000
532 -0.0171 0.00000
533 -0.0650 0.00000
534 -0.0538 0.00000
535 -0.0616 0.00000
536 -0.0390 0.00000
537 -0.1035 0.00000
538 -0.0188 0.00000
539 0.0065 0.00000
540 0.0164 0.00000
541 0.0377 0.00000
542 0.0528 0.00000
543 0.0724 0.00000
544 0.0288 0.00000
545 0.0855 0.00000
546 0.0094 0.00000
547 0.0485 0.00000
548 0.0310 0.00000
549 0.0193 0.00000
550 -0.0117 0.00000
551 0.0555 0.00000
552 -0.0363 0.00000
553 -0.0495 0.00000
554 0.0149 0.00000
555 0.0455 0.00000
556 0.0600 0.00000
557 0.1025 0.00000
558 -0.1027 0.00000
559 0.0402 0.00000
560 0.0313 0.00000
561 0.0133 0.00000
562 0.0755 0.00000
563 0.0609 0.00000
564 0.1162 0.00000
565 -0.0034 0.00000
566 0.0311 0.00000
567 0.0185 0.00000
568 -0.0213 0.00000
569 0.1251 0.00000
570 0.0434 0.00000
571 0.0097 0.00000
572 0.0136 0.00000
573 -0.0255 0.00000
574 -0.0964 0.00000
575 -0.0090 0.00000
576 0.0351 0.00000
577 0.1523 0.00000
578 0.0543 0.00000
579 0.0154 0.00000
580 -0.1116 0.00000
581 0.0101 0.00000
582 0.0444 0.00000
583 -0.1215 0.00000
584 -0.6868 0.00000
585 0.0560 0.00000
586 0.0124 0.00000
587 0.1111 0.00000
588 0.0704 0.00000
589 -0.0027 0.00000
590 0.0903 0.00000
591 0.0175 0.00000
592 0.0074 0.00000
593 -0.0362 0.00000
594 0.0122 0.00000
595 0.0120 0.00000
596 0.0003 0.00000
597 0.0011 0.00000
598 -0.0187 0.00000
599 0.0598 0.00000
600 0.0097 0.00000
601 0.0586 0.00000
602 -0.0341 0.00000
603 0.0467 0.00000
604 -0.0241 0.00000
605 0.0162 0.00000
606 0.0628 0.00000
607 -0.0406 0.00000
608 0.0315 0.00000
609 0.0483 0.00000
610 0.0436 0.00000
611 0.0041 0.00000
612 0.0077 0.00000
613 0.0410 0.00000
614 -0.0414 0.00000
615 0.0093 0.00000
616 0.0321 0.00000
617 0.1250 0.00000
618 -0.0476 0.00000
619 -0.0138 0.00000
620 0.0166 0.00000
621 -0.0093 0.00000
622 -0.0021 0.00000
623 -0.0713 0.00000
624 0.0821 0.00000
625 -0.0149 0.00000
626 -0.0009 0.00000
627 0.0353 0.00000
628 -0.0328 0.00000
629 0.0392 0.00000
630 -0.0304 0.00000
631 0.0638 0.00000
632 0.0212 0.00000
633 -0.0061 0.00000
634 0.0450 0.00000
635 0.0171 0.00000
636 0.0724 0.00000
637 -0.0566 0.00000
638 -0.0214 0.00000
639 -0.0435 0.00000
640 -0.0034 0.00000
641 0.0011 0.00000
642 -0.0653 0.00000
643 -0.0159 0.00000
644 -0.0007 0.00000
645 0.0172 0.00000
646 0.0048 0.00000
647 0.0830 0.00000
648 0.0494 0.00000
649 0.0471 0.00000
650 0.0752 0.00000
651 -0.0440 0.00000
652 0.0015 0.00000
653 -0.0049 0.00000
654 0.0407 0.00000
655 -0.0034 0.00000
656 -0.0003 0.00000
657 0.0641 0.00000
658 0.0112 0.00000
659 0.0048 0.00000
660 0.0222 0.00000
661 0.0518 0.00000
662 0.0577 0.00000
663 0.0143 0.00000
664 0.0300 0.00000
665 0.0526 0.00000
666 -0.0238 0.00000
667 -0.0132 0.00000
668 -0.0554 0.00000
669 0.0595 0.00000
670 0.0769 0.00000
671 0.0465 0.00000
672 0.1003 0.00000
673 0.0517 0.00000
674 0.0092 0.00000
675 0.0171 0.00000
676 -0.0103 0.00000
677 0.0539 0.00000
678 0.0990 0.00000
679 -0.0702 0.00000
680 0.0328 0.00000
681 -0.0027 0.00000
682 -0.0448 0.00000
683 0.0474 0.00000
684 -0.0626 0.00000
685 0.0282 0.00000
686 0.0465 0.00000
687 -0.0230 0.00000
688 -0.0085 0.00000
689 -0.0049 0.00000
690 -0.0459 0.00000
691 0.0285 0.00000
692 0.0059 0.00000
693 0.0420 0.00000
694 0.0317 0.00000
695 -0.0168 0.00000
696 -0.0109 0.00000
697 0.0518 0.00000
698 0.0553 0.00000
699 -0.0039 0.00000
700 0.0167 0.00000
701 0.0032 0.00000
702 -0.0039 0.00000
703 -0.0140 0.00000
704 0.0429 0.00000
705 0.0581 0.00000
706 -0.0590 0.00000
707 0.0298 0.00000
708 -0.0092 0.00000
709 -0.0181 0.00000
710 -0.0088 0.00000
711 0.0036 0.00000
712 0.0009 0.00000
713 0.0228 0.00000
714 0.0204 0.00000
715 0.0127 0.00000
716 -0.0071 0.00000
717 0.0189 0.00000
718 0.0348 0.00000
719 0.0277 0.00000
720 0.0398 0.00000
721 -0.0121 0.00000
722 -0.0360 0.00000
723 0.0100 0.00000
724 0.0103 0.00000
725 -0.0087 0.00000
726 -0.0035 0.00000
727 0.0262 0.00000
728 -0.0046 0.00000
729 0.0375 0.00000
730 -0.0368 0.00000
731 -0.0289 0.00000
732 -0.0157 0.00000
733 -0.0271 0.00000
734 0.0680 0.00000
735 -0.0330 0.00000
736 -0.0064 0.00000
737 0.0102 0.00000
738 0.0807 0.00000
739 0.0376 0.00000
740 -0.0213 0.00000
741 -0.0281 0.00000
742 0.0778 0.00000
743 0.0443 0.00000
744 0.0480 0.00000
745 -0.0131 0.00000
746 -0.0031 0.00000
747 -0.0451 0.00000
748 -0.0853 0.00000
749 0.0244 0.00000
750 -0.0137 0.00000
751 -0.0335 0.00000
752 -0.0152 0.00000
753 -0.0471 0.00000
754 -0.0670 0.00000
755 -0.0306 0.00000
756 0.0136 0.00000
757 0.0053 0.00000
758 0.0343 0.00000
759 -0.0340 0.00000
760 -0.0243 0.00000
761 0.0398 0.00000
762 0.0688 0.00000
763 0.0242 0.00000
764 -0.0168 0.00000
765 -0.0034 0.00000
766 0.0729 0.00000
767 -0.0527 0.00000
768 0.0511 0.00000
769 0.0023 0.00000
770 0.0722 0.00000
771 0.0029 0.00000
772 -0.0587 0.00000
773 -0.0017 0.00000
774 0.0307 0.00000
775 -0.0655 0.00000
776 -0.1065 0.00000
777 0.0910 0.00000
778 -0.0002 0.00000
779 0.0076 0.00000
780 -0.0163 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 3 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
9.03548 0.76492 15.46248
0.76497 -1.90602 2.05813
15.46265 2.05821 3.61794
POSITION FORCE-CONSTANT FOR ION 3 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.160752 0.005036 0.016723
4.30302 2.15352 7.05746 -0.106302 -0.090434 0.781239
1.30883 4.06731 2.03161 -29.432683 -0.425003 -3.732322
3.96992 4.32885 4.13194 3.712383 0.468760 2.805345
1.29275 3.05683 8.10201 -0.440768 -0.052443 0.023044
3.79636 1.47547 14.70421 -0.019276 -0.001191 -0.051556
1.24643 4.63551 10.86193 -0.100794 -0.016160 0.058627
3.89005 4.20092 12.88287 -0.038713 0.000495 0.000841
1.04482 6.69020 17.44020 0.301269 -0.677704 0.404226
3.77370 7.04599 6.61024 0.115182 0.554373 0.512448
0.71312 9.21049 2.53845 -0.236120 -0.128462 -0.077110
3.86880 9.70388 4.59023 -0.102360 0.312513 -0.163712
1.19399 7.29663 8.75952 -0.461986 0.001113 0.085170
4.14925 6.52609 15.71477 -0.250226 0.181028 -0.132361
1.16791 10.19708 10.50563 -0.060159 0.036853 0.040453
3.90202 11.30466 11.97145 -0.038057 0.011767 0.014806
1.41963 13.48240 16.88000 -0.051862 -0.004769 0.010917
3.89470 12.50036 6.39588 -0.030779 0.056894 0.056241
1.24092 15.65995 2.03746 -0.178883 0.000005 0.063521
3.45676 13.88732 3.60018 -0.067427 0.011424 -0.035008
1.37686 12.90671 8.69683 -0.078129 0.017293 0.009747
4.20896 12.98001 14.89140 -0.042850 -0.000773 0.013367
1.28271 15.54574 11.35729 -0.053441 -0.002420 0.003770
4.02704 16.14416 13.12883 -0.032532 -0.032480 -0.006575
8.51844 2.13686 0.32759 0.277273 -0.094320 -0.064241
10.42520 1.68659 6.72748 0.159833 -0.016898 -0.007113
6.89192 4.41938 2.41726 0.965254 0.028063 -0.431376
10.22536 4.35381 4.16682 0.435098 0.034712 -0.117751
7.19238 2.15284 8.75827 0.247460 -0.031719 0.115419
10.67141 2.29852 15.08728 0.178700 -0.018558 0.035296
7.24075 4.59797 11.01224 0.068381 -0.021042 0.111570
10.30176 4.56419 12.61212 0.100774 0.025592 0.016779
6.40057 6.85176 0.36515 0.057226 0.244977 -0.241229
9.75325 6.62606 6.90745 0.126858 -0.014119 -0.012640
6.24007 9.67823 1.67645 0.066075 0.131460 -0.023708
6.65558 7.06042 8.79421 0.170415 0.116240 0.124460
11.80692 6.94639 14.05727 0.083582 -0.016559 0.084571
6.39955 9.97659 10.34026 0.006616 0.072145 0.062553
11.03265 10.16848 13.84914 0.043188 -0.027042 0.004716
6.77345 12.10505 16.99256 0.038893 0.031397 -0.053616
10.32223 13.09442 6.99099 0.076419 0.011169 -0.001536
10.59365 15.96480 4.77521 0.096997 0.010232 -0.031610
6.94250 12.79247 7.88185 0.056649 0.000387 -0.003666
10.18654 12.31147 16.08279 0.087853 -0.006210 0.006451
7.13888 17.01345 11.20310 0.017677 -0.013944 0.055260
10.37682 0.23169 12.64835 0.065050 -0.007466 -0.003305
13.24904 1.54346 17.14370 0.123219 0.098802 0.220805
15.89410 1.64185 6.44545 -0.070243 0.587703 -0.590462
12.98857 4.28042 2.14546 0.525726 0.070587 0.169082
15.96785 4.32998 4.48967 1.578849 -0.632586 -1.606747
13.27097 1.52537 8.57426 0.226098 0.017765 -0.141530
16.03461 1.53130 15.21659 -0.090955 0.102563 0.093287
13.37701 3.97590 10.80799 0.056975 -0.007561 -0.042761
16.23421 4.17555 13.11475 -0.049823 0.020171 0.102765
13.12188 6.75851 16.83328 0.120575 -0.136423 0.182140
16.15350 6.82329 6.57280 -0.107284 -0.527378 -0.513231
13.80451 11.28726 3.11364 0.063528 -0.041409 0.014277
16.01530 9.31599 4.57229 -0.030732 -0.177515 0.042357
16.24774 6.95131 14.97400 0.027022 -0.035489 0.162838
13.37358 11.10317 11.33384 0.019197 -0.010260 -0.002794
16.26481 10.28310 12.82929 -0.015357 -0.040083 0.045390
13.02958 12.87265 0.34345 0.043808 0.023658 0.047520
15.63587 13.81058 6.90598 0.001633 0.045540 -0.098236
13.11026 15.86276 1.91698 0.080256 0.039823 -0.005263
16.04847 15.98249 4.25314 -0.057262 0.273748 0.064308
12.92950 13.50280 9.01948 0.049376 0.008205 -0.004198
16.03470 13.24150 15.21399 -0.019680 -0.009393 0.000265
13.00717 16.52927 10.76204 0.050920 0.030301 -0.048282
15.92967 15.85673 13.13419 -0.029732 0.021520 0.024893
1.86054 17.36365 1.29865 0.041496 -0.054684 -0.010198
4.17830 2.73136 5.21241 -0.370439 0.200920 -0.747919
3.26426 5.75851 5.24301 -0.224217 -0.599790 -0.918666
17.49829 1.67854 7.58538 0.118858 0.008947 0.099106
1.16532 17.05709 10.27678 0.006273 -0.005530 0.004440
3.43296 5.28736 14.40974 0.039716 -0.030915 -0.005278
5.78979 4.58179 12.35127 0.005067 0.002900 -0.012728
2.66622 1.96025 16.18884 0.069035 -0.050159 -0.135323
17.32027 0.89679 16.51550 0.050271 0.031847 0.070153
0.46199 8.18893 0.93413 0.014670 0.076857 -0.036275
5.39231 10.11127 3.40660 0.019158 -0.044196 0.026653
2.32066 9.80687 3.44943 0.081818 -0.012070 0.050117
4.91964 7.92130 14.71679 0.057053 -0.028632 0.002761
2.68710 7.23238 16.69438 0.087011 0.134808 -0.163260
0.01020 10.88204 2.02154 0.040227 0.028347 0.015319
4.21835 0.28129 6.98759 0.023504 0.068467 -0.170957
17.23783 13.81793 8.03064 0.031780 -0.011191 0.016388
4.79582 14.66186 14.12172 0.010365 0.006716 -0.003990
1.82404 14.00413 10.26937 0.018228 -0.001451 0.000830
5.26768 16.92854 11.79676 0.013665 0.010943 -0.012759
10.96027 2.96124 5.34122 -0.085292 -0.021096 0.021593
6.97457 3.04582 1.08259 -0.202520 0.080350 0.116724
10.16898 6.05361 5.08582 -0.073945 0.004413 0.003996
8.34039 4.05066 3.68939 -0.275670 0.017894 -0.023542
8.74489 2.42632 7.55292 -0.071970 0.008628 0.016315
7.18775 0.35634 9.46384 -0.024809 0.023474 -0.031901
11.47395 4.04892 11.19556 -0.031201 0.001967 0.012520
9.15080 2.77757 16.12393 -0.077455 0.027941 0.037130
7.98734 0.36277 0.04247 -0.047913 0.029769 0.016919
8.09306 7.37877 7.53063 -0.063168 -0.015485 0.012059
5.20414 6.37683 7.73407 -0.151653 -0.091583 -0.165877
12.25313 11.32613 12.87115 -0.007223 0.000436 0.002186
7.88582 9.71337 11.41294 -0.004630 -0.009244 -0.014520
7.90588 7.26091 16.85699 -0.010504 -0.028129 0.032808
11.07224 14.64349 6.08452 -0.015875 0.000333 0.006937
9.97410 0.03402 5.82220 -0.027893 0.002956 0.021230
11.77786 16.49122 3.26041 -0.033649 -0.002742 0.036602
6.65717 11.67689 9.40508 -0.003470 -0.002895 -0.005942
7.76961 15.24886 11.07941 0.000392 0.004888 -0.014077
8.52712 0.41686 12.29829 -0.013810 0.004910 -0.012665
13.11181 17.12784 0.26607 -0.017939 -0.028198 -0.012573
13.20693 2.50512 1.34897 -0.066310 -0.083220 -0.073818
17.29335 3.71694 3.19979 5.998375 1.051516 -2.336879
14.20035 4.69758 3.69278 -0.396907 0.004127 0.045808
14.59997 3.56179 12.23787 -0.003699 -0.002535 -0.008400
13.57708 5.48481 0.72232 -0.085787 0.059536 -0.139472
12.29749 8.18631 0.22048 -0.011889 0.045015 -0.029149
16.86596 10.59176 5.62457 0.013012 0.027120 0.000587
16.66958 8.43890 13.63905 0.003454 0.020605 -0.026688
16.67265 11.67449 14.15979 0.008761 0.008520 -0.002940
14.70756 7.45696 15.98014 -0.012621 0.034964 -0.047626
16.06899 0.34084 4.92526 0.033192 -0.197305 0.022428
14.63768 15.41566 3.05858 -0.008234 -0.030129 -0.015521
12.21694 15.07373 9.87203 -0.007537 -0.005001 0.004460
15.65466 0.14914 13.86557 0.021459 -0.022827 -0.010874
14.35754 15.71932 11.91759 -0.000392 -0.004794 -0.001422
14.30081 12.83268 16.21967 0.001944 -0.003508 -0.005294
8.77223 10.39607 2.47225 0.038764 0.023560 0.009716
12.91187 8.54216 10.48161 0.005010 -0.007250 -0.002321
8.49467 15.82840 2.99445 0.022044 -0.021308 0.021130
1.32045 2.68577 1.08043 3.079249 -0.512637 -0.401358
5.44581 4.42337 3.31859 -1.364168 -0.036667 0.195410
2.71895 4.15019 2.95898 11.546122 0.557734 4.787115
2.89361 2.63574 7.84048 0.432996 -0.032360 -0.238591
3.72928 2.61904 13.46082 0.026291 0.000596 -0.006835
1.12195 3.42722 9.72736 0.077456 0.011944 -0.022097
2.69176 4.49808 11.70258 0.055414 -0.002495 0.006585
1.13271 5.33613 0.95032 3.294617 -0.496514 0.324052
4.03043 8.42197 5.67301 -0.039651 -0.419217 0.122618
3.75157 11.03623 5.64253 0.033495 -0.103652 -0.022616
2.52170 7.25791 7.75547 0.357048 -0.133270 -0.388806
17.39856 7.13193 7.68295 0.294905 0.084836 0.219584
1.18188 6.06412 9.94036 0.071849 0.026219 -0.038022
1.18202 8.73358 9.65531 0.071506 -0.050253 -0.044938
3.91098 11.84592 13.59643 0.016454 0.000229 -0.008225
5.12928 10.31683 11.41789 0.028457 -0.021798 -0.022950
2.50977 10.51875 11.46580 0.038710 0.002624 0.001238
17.45087 6.59897 16.12377 -0.007480 0.065947 -0.089537
3.55980 13.67281 5.25157 0.024414 -0.010083 0.013116
1.28803 14.62748 0.64715 0.031409 0.008899 -0.005333
4.98905 14.24610 3.11864 0.025879 0.009361 0.004400
2.40264 15.06164 3.08512 0.092746 -0.028742 0.037590
2.72172 12.72875 7.62075 0.063081 -0.013501 -0.040797
1.06333 11.39589 9.35618 0.026631 -0.011347 0.000612
3.61212 17.43666 14.11103 0.016742 0.027749 0.017352
2.61877 15.69429 12.36150 0.047646 0.010589 0.017884
2.80206 13.36593 15.83914 0.050856 -0.001084 -0.026710
17.47316 13.58140 16.05649 0.036111 0.003254 0.009371
9.77890 2.08644 1.42003 -0.157370 0.016036 -0.030087
11.39452 4.37239 2.86549 -0.461420 -0.029659 0.152926
5.75314 2.47184 7.89843 -0.279833 0.049251 -0.271628
10.58974 3.42804 13.84178 -0.038911 -0.011649 0.015659
7.29963 3.26088 10.01774 -0.039401 -0.024046 -0.062209
10.61644 6.04073 13.30213 -0.049160 -0.034720 -0.029498
8.72282 4.57356 11.93667 -0.092728 0.002480 -0.048469
6.87268 5.85394 1.60201 -0.128227 -0.182268 0.219424
10.69996 7.99849 7.09252 -0.050002 -0.017651 0.002112
5.73707 8.23825 1.01832 -0.018876 -0.129381 0.019893
10.63831 11.82289 5.95914 -0.019159 0.000909 0.006383
12.27791 10.92294 3.59234 -0.035693 0.005491 0.011336
7.82470 9.40720 2.06031 -0.057460 -0.051516 -0.010818
7.06519 5.95381 10.03323 -0.058551 0.045331 -0.099425
11.49637 8.56646 14.11248 -0.028130 0.039887 -0.017361
6.22218 8.54831 9.46647 -0.022064 -0.106281 -0.068837
10.64255 10.88430 15.28736 -0.020360 0.012653 0.003754
5.27533 6.08183 16.89617 0.072953 -0.123256 0.198980
6.19392 10.87447 0.49133 -0.017877 -0.061838 0.052079
6.63594 13.50144 0.40946 -0.011779 0.003117 0.014409
9.20318 15.33527 4.12194 -0.055051 0.002863 -0.019813
8.65369 12.87516 7.41323 -0.061139 -0.006355 0.013835
5.50203 12.61795 6.94111 -0.005437 -0.007480 -0.013138
10.10713 13.64215 15.27789 -0.021731 0.004076 -0.001862
10.67911 0.87544 14.08625 -0.034435 -0.004732 -0.012980
11.60356 17.20368 11.75834 -0.048504 0.010234 0.026162
8.39118 11.91622 16.60701 -0.051300 -0.006376 0.017473
5.50451 12.34914 15.80657 0.019862 -0.006871 0.014492
15.73327 3.04046 5.55542 -0.377218 -0.663845 0.953609
16.46394 5.60663 5.46979 -0.080874 0.776153 0.850840
14.52808 1.45286 7.47168 -0.182995 -0.076013 0.236802
11.79275 1.56088 7.78873 -0.131739 0.002524 -0.033327
13.32704 0.21681 9.64565 -0.041603 -0.056095 0.071425
16.41790 2.90736 14.26355 0.020376 -0.012511 -0.045548
13.45171 2.82808 9.57211 -0.035850 0.025122 0.055889
16.10069 5.57752 13.99343 0.011237 -0.033632 -0.069166
0.00005 4.40711 11.99025 0.085088 0.009552 -0.067747
14.62884 1.73967 16.17160 0.039694 -0.059858 -0.101199
11.98368 2.03831 16.06725 -0.155799 0.017446 -0.121526
15.63239 8.11986 5.68103 0.002840 0.217313 -0.009691
17.11138 8.55854 3.60414 0.100375 0.115267 -0.008328
14.79559 9.98222 3.60061 -0.023307 0.060741 -0.015572
14.83832 6.40254 7.47085 -0.046801 0.067759 0.159214
10.26118 5.42988 7.96507 -0.044183 0.010837 -0.004054
13.84142 5.42996 10.14226 -0.020991 -0.012301 0.033501
12.90067 9.94534 10.26834 -0.002608 0.010353 0.002167
17.40760 10.25314 11.57387 0.055096 0.003993 -0.052248
14.84553 10.65634 12.01294 -0.004829 0.011092 -0.009893
12.09160 6.31793 15.56215 -0.073963 0.021186 -0.116658
13.66330 11.76838 1.50243 -0.012105 0.012747 -0.021897
15.90808 14.97969 5.66759 -0.002759 -0.132040 0.095436
12.90234 14.38066 1.10662 -0.018047 -0.045555 -0.024346
17.39979 15.79595 3.12260 0.147758 -0.067597 -0.119415
14.24465 13.87010 7.98683 -0.022975 -0.006140 0.028901
11.50975 12.98027 8.22780 -0.030456 -0.005460 -0.014256
13.37751 12.44417 10.26044 -0.003985 0.002029 0.001124
15.76289 14.59733 14.23402 0.011319 0.000745 -0.008035
17.35248 15.55367 12.27553 0.049755 -0.006765 -0.025767
11.51892 12.39014 17.28946 -0.047876 -0.007220 -0.025792
2.14782 0.44560 2.19550 -0.049754 -0.031207 0.013643
3.29477 2.11300 4.94555 -0.015198 -0.135026 0.075012
2.45654 5.15830 5.71352 -0.095697 0.004504 0.037944
17.13665 1.28635 8.55333 0.029307 -0.001127 0.016524
2.05496 17.16622 9.63831 0.003080 -0.000502 -0.001597
2.76007 4.61458 14.97268 -0.007571 0.006801 -0.009361
5.82104 5.64963 12.65472 0.004162 0.000533 -0.000235
1.99867 2.73895 15.76239 -0.003730 -0.005334 0.011161
16.62702 0.41219 17.23014 0.012951 0.024740 0.005023
0.53299 8.97932 0.15968 0.000365 0.026417 -0.001783
6.28070 9.99466 4.05905 0.014135 0.008069 -0.004515
2.80484 10.34140 2.60493 0.014444 -0.007432 0.006107
5.85876 7.59725 14.24081 0.013601 0.010432 -0.011761
2.33378 8.07412 16.06384 0.085306 0.036973 -0.024824
0.72196 11.42800 1.39191 0.000152 0.005510 -0.003201
4.17641 17.36384 8.00554 0.007203 0.064809 -0.015525
0.17664 14.81238 7.80592 -0.001397 0.002130 -0.001640
5.28314 15.15948 14.98492 0.005155 -0.000992 0.000097
1.99589 13.21868 11.02572 0.004253 0.000874 0.001553
4.90269 16.46159 10.85427 -0.000878 -0.003956 0.002681
11.44760 2.27402 4.62061 0.004165 0.014357 0.006620
6.42001 2.18281 1.50214 0.018352 -0.043169 -0.012661
11.20298 6.44871 5.00937 -0.003882 -0.027423 -0.007099
8.23943 2.94593 3.71752 0.009324 -0.010590 -0.000594
9.07830 3.43667 7.86385 0.004447 0.001922 0.001834
8.13841 17.45818 9.05432 -0.000481 0.009476 -0.003847
11.09062 4.59939 10.31069 0.006744 -0.000421 0.001625
8.29143 2.75175 15.42638 -0.000476 0.002048 -0.005512
8.82941 17.22992 17.22214 0.006296 0.020044 0.006857
7.50840 7.62286 6.62087 0.009916 0.012321 -0.006511
4.60511 5.74329 8.41778 0.002848 -0.002883 0.006998
12.92668 11.75537 13.63632 0.002997 -0.001547 0.000868
8.02117 10.55523 12.10517 0.002450 -0.001764 -0.002664
8.67556 7.71636 17.49570 0.007435 -0.001441 -0.003083
11.47875 15.24589 6.91703 0.004632 -0.000886 -0.000887
9.35972 16.97903 6.56192 -0.000775 -0.004108 0.002789
11.03713 17.07922 2.67792 0.006358 0.003583 -0.000772
7.42775 12.08916 10.09180 0.004524 -0.004371 -0.001391
7.92017 14.83580 12.09082 0.003370 0.004249 -0.000061
8.50905 1.48718 11.99359 0.004690 -0.001384 0.005157
13.83892 16.58967 17.12637 0.001645 -0.011664 0.002774
14.18064 2.16404 1.76300 0.010070 0.062576 -0.010666
0.22637 2.85420 3.74771 -0.366516 -0.354565 0.443017
13.55731 4.46328 4.56374 -0.100843 0.040341 -0.001675
13.93368 3.48067 13.12140 0.010877 0.001811 0.005376
14.29477 4.78199 0.25086 0.014183 0.018368 0.041285
12.05112 9.01860 17.04503 -0.000361 0.010604 0.006246
16.27694 10.80430 6.52497 0.005336 -0.000456 -0.001119
16.72250 7.84092 12.70809 0.003286 0.002814 -0.005771
0.08131 12.14367 13.72814 0.005177 0.002089 0.000285
15.18747 8.06134 16.77823 0.004109 -0.010886 0.001623
15.33129 0.80027 4.23469 0.055418 0.029905 0.018334
15.22283 14.74953 2.39790 -0.007690 -0.010181 -0.007358
11.52991 14.60593 10.60396 0.002954 -0.002508 0.001127
14.54913 0.08259 13.94141 0.007711 0.000439 0.005350
13.64918 15.17179 12.57877 0.006304 -0.002198 0.002050
14.26990 11.73639 16.04700 0.005588 -0.001032 0.000144
2.83011 17.00291 0.89614 0.014687 -0.010031 -0.016890
5.01762 2.19884 4.72481 -0.017785 0.040911 -0.031834
2.72197 6.40768 4.52960 -0.107739 0.121164 0.069737
0.61592 0.85326 7.17988 0.000177 -0.010264 0.001128
1.05804 0.47662 10.87149 0.001463 -0.000907 -0.001350
2.72869 6.02833 13.97220 0.007964 0.001713 0.017352
6.27365 4.07474 13.21275 0.007864 -0.000789 -0.006197
3.39789 2.54642 16.78232 0.039655 -0.023626 -0.045369
0.26647 0.03376 15.97352 0.034901 -0.000650 0.015104
16.86896 8.04953 1.06168 0.027914 -0.021166 0.026509
5.26691 11.21282 3.35522 -0.007398 -0.009561 0.001239
1.79651 10.63408 3.97172 0.009151 -0.016079 0.011819
4.24367 8.25477 13.91418 -0.001151 -0.008867 0.011758
3.20146 7.72932 0.04071 0.000759 0.039202 -0.009163
17.29565 11.52683 2.88643 0.000444 0.006138 0.001522
5.09458 17.34903 6.48077 0.007366 -0.020849 0.005487
16.80060 13.95067 9.04167 0.007547 -0.000285 0.003932
5.65314 14.35380 13.49055 0.005644 0.001106 0.000392
2.85103 14.37043 10.06567 0.008720 -0.000867 0.002984
4.88020 0.46410 11.72901 0.001380 0.001428 0.001764
11.82432 3.49932 5.78478 -0.009278 0.005878 -0.028906
6.33916 3.40343 0.25044 0.014907 -0.005298 -0.033059
9.59394 6.71839 4.41200 0.009606 0.013106 -0.001857
7.91802 4.38505 4.66043 0.016182 -0.009335 0.025586
8.23543 2.62518 6.58554 0.011583 0.004084 -0.005445
6.41431 17.32071 8.88054 0.008245 -0.011926 0.002710
11.14557 3.00954 10.98712 0.005590 -0.003779 -0.001426
9.36027 3.86210 16.23230 0.011216 -0.001753 -0.003318
7.53966 17.41529 0.94072 0.006212 -0.012657 0.001933
8.48774 8.36338 7.84778 -0.002121 -0.004826 0.004435
5.72768 5.64505 7.08615 0.035401 -0.014244 0.016561
11.53162 12.14308 12.66419 0.005062 0.002723 -0.000813
7.77778 8.79967 12.01567 0.006091 0.000737 0.002016
7.67148 7.97660 16.05599 -0.005959 -0.004395 0.007858
11.96712 14.11387 5.69832 0.000938 0.002727 -0.001719
9.20674 0.45352 5.13285 0.001171 -0.000229 -0.005695
12.42086 17.27854 3.71166 0.002788 -0.005458 -0.006256
5.72984 12.20671 9.71226 0.002115 -0.002696 0.002304
7.06651 14.59485 10.54611 0.003408 -0.001648 0.000823
8.18003 0.43236 13.34917 0.000116 -0.001131 -0.004018
12.13433 16.79403 17.35819 0.002783 -0.012727 -0.007039
12.47800 1.85419 1.86970 -0.005979 -0.013578 -0.006988
16.61133 3.22326 2.47663 1.073201 0.642928 -0.585152
14.18380 5.80672 3.64923 -0.015630 0.016843 -0.011995
14.87276 2.50739 12.03337 0.001130 -0.000013 -0.001960
14.23243 6.19147 1.27631 0.010215 -0.039334 0.008656
12.93327 8.58137 1.02753 0.004093 -0.009775 -0.003680
0.31818 10.15222 5.96061 0.001678 -0.001699 0.001439
0.23893 8.66414 13.84372 0.005377 0.001354 0.002757
17.08408 11.06555 14.99139 0.000924 -0.002455 -0.001302
14.24371 8.22849 15.33189 0.009922 0.014552 -0.006518
17.03243 0.72423 4.52831 -0.066534 0.065013 -0.015787
14.06257 14.70897 3.69175 0.003366 -0.010415 -0.002543
11.55248 15.52990 9.11606 0.005332 0.001816 -0.001349
15.79992 0.71375 12.92180 0.004365 0.000901 -0.000292
14.66771 14.92743 11.20480 0.001107 -0.000747 -0.001942
13.59723 13.22883 15.45681 0.005772 0.001825 -0.001942
0.28893 16.96969 9.61776 0.009070 0.004579 0.000790
5.14861 8.79609 15.34428 -0.000755 0.000326 -0.000628
16.57887 10.76457 1.44815 0.013113 -0.013371 0.006369
3.32280 17.43531 6.45000 -0.001551 -0.009862 0.006324
7.22345 0.33037 16.74849 0.002701 -0.006225 -0.004056
8.80270 9.61454 10.81195 0.005987 0.000574 0.003377
8.32656 6.35754 16.39008 0.010140 0.004683 -0.001681
8.73549 15.20213 10.55252 0.004286 -0.001185 0.001902
11.35757 7.84337 0.68199 0.006849 -0.005521 0.002760
17.07689 11.54135 5.11708 0.006707 0.008861 0.002484
1.05898 4.30352 7.32607 0.060071 0.020663 -0.007032
4.03509 12.56543 11.20951 0.008466 -0.000847 -0.001480
2.98241 12.61908 2.99845 0.012356 -0.002414 0.003360
13.02951 6.77394 13.23542 -0.005455 0.001235 -0.009447
9.81405 10.04557 13.02717 -0.002615 0.002391 -0.000690
14.38062 12.44509 3.83928 -0.003067 0.004014 -0.000595
15.29130 12.60070 6.14349 0.005323 -0.008313 0.012534
1.51212 12.17674 0.04632 0.009464 0.003109 -0.000688
5.20365 1.54821 15.21091 0.020893 0.001461 0.008330
6.79297 14.20253 8.32851 -0.001728 0.002517 0.001492
11.61515 7.96197 6.76612 0.015323 -0.002150 -0.000886
10.25461 10.96603 6.21744 0.013559 0.000167 0.000099
11.90891 11.26603 4.43245 0.020244 -0.002837 -0.010759
8.53540 10.78259 3.48001 0.002241 -0.002361 -0.001696
9.76681 9.93079 2.50215 0.000552 0.002253 -0.001101
8.80784 11.23977 1.76494 0.001753 -0.005751 0.000139
14.97448 6.01037 8.35394 0.003096 0.006165 -0.031969
10.93413 4.83383 7.59381 0.019489 0.003368 -0.001436
13.14865 5.92816 9.67432 0.018680 -0.000424 -0.011742
12.65000 8.06887 9.52187 0.009853 0.000425 0.000627
13.90414 8.18239 10.79823 0.000238 -0.000833 -0.002030
12.16474 8.24325 11.23577 0.004549 0.000812 0.003762
5.27827 14.04824 2.20496 0.003667 -0.002025 -0.002531
10.20084 2.92381 1.69633 0.074944 0.023487 0.011956
7.46833 14.00510 0.41146 0.008324 -0.006163 -0.001308
7.48179 15.39929 3.01468 -0.000120 -0.004782 -0.001566
8.41010 16.93048 3.00754 0.009236 0.009429 -0.001530
8.99741 15.53505 2.05618 0.003904 0.004033 -0.000403
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 3 DIRECTION 1 : 3.217 0.113 0.527
rigid augmentation : 0.185 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -0.968 0.113 0.527
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 8/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 11( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258912; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258992; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01025956
-V(xc)+E(xc) XCENC = 0.02033898
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03947783
---------------------------------------------------
free energy TOTEN = -0.02939841 eV
energy without entropy = -0.02939841
----------------------------------------- Iteration 11( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258912; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258992; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10581E+01 rms(broyden)= 0.10570E+01
rms(prec ) = 0.11345E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01025956
-V(xc)+E(xc) XCENC = 0.02033898
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01486994
---------------------------------------------------
free energy TOTEN = -0.00479052 eV
energy without entropy = -0.00479052
----------------------------------------- Iteration 11( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258915; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258989; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.63083E+00 rms(broyden)= 0.63074E+00
rms(prec ) = 0.68320E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3864
2.3864
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00951128
-V(xc)+E(xc) XCENC = 0.01751421
PAW double counting = 0.01252531 -0.01252781
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01480482
---------------------------------------------------
free energy TOTEN = -0.00680438 eV
energy without entropy = -0.00680438
----------------------------------------- Iteration 11( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258918; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258986; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10447E+00 rms(broyden)= 0.10433E+00
rms(prec ) = 0.13725E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9908
1.5674 2.4143
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00877666
-V(xc)+E(xc) XCENC = 0.01554556
PAW double counting = 0.07390388 -0.07391743
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01510939
---------------------------------------------------
free energy TOTEN = -0.00835404 eV
energy without entropy = -0.00835404
----------------------------------------- Iteration 11( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258917; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258988; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.57885E-01 rms(broyden)= 0.57853E-01
rms(prec ) = 0.77048E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6995
2.5501 1.8429 0.7054
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00841449
-V(xc)+E(xc) XCENC = 0.01502436
PAW double counting = 0.07813906 -0.07815193
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01543747
---------------------------------------------------
free energy TOTEN = -0.00884047 eV
energy without entropy = -0.00884047
----------------------------------------- Iteration 11( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258915; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258989; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.30043E-01 rms(broyden)= 0.30030E-01
rms(prec ) = 0.44505E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7245
2.7406 2.1882 1.1061 0.8632
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00835088
-V(xc)+E(xc) XCENC = 0.01493886
PAW double counting = 0.07970049 -0.07971384
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01547506
---------------------------------------------------
free energy TOTEN = -0.00890043 eV
energy without entropy = -0.00890043
----------------------------------------- Iteration 11( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258912; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258992; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.15312E-01 rms(broyden)= 0.15298E-01
rms(prec ) = 0.23922E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8573
3.1140 2.5142 1.7918 0.9332 0.9332
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00832779
-V(xc)+E(xc) XCENC = 0.01495806
PAW double counting = 0.07938764 -0.07940105
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01549979
---------------------------------------------------
free energy TOTEN = -0.00888293 eV
energy without entropy = -0.00888293
----------------------------------------- Iteration 11( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258908; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258996; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53666E-02 rms(broyden)= 0.53565E-02
rms(prec ) = 0.90468E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8503
3.6859 2.4500 1.8888 1.1937 0.9418 0.9418
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00832150
-V(xc)+E(xc) XCENC = 0.01502690
PAW double counting = 0.07872172 -0.07873503
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01552158
---------------------------------------------------
free energy TOTEN = -0.00882948 eV
energy without entropy = -0.00882948
----------------------------------------- Iteration 11( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258907; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258998; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.33311E-02 rms(broyden)= 0.33265E-02
rms(prec ) = 0.48225E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9879
4.3037 2.6276 2.4130 1.5435 1.1795 0.9239 0.9239
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00831482
-V(xc)+E(xc) XCENC = 0.01503840
PAW double counting = 0.07879796 -0.07881127
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553233
---------------------------------------------------
free energy TOTEN = -0.00882207 eV
energy without entropy = -0.00882207
----------------------------------------- Iteration 11( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258905; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11903E-02 rms(broyden)= 0.11875E-02
rms(prec ) = 0.17363E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9862
4.7036 2.9200 2.4231 1.8348 0.9401 0.9401 0.9661 1.1621
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00831619
-V(xc)+E(xc) XCENC = 0.01504358
PAW double counting = 0.07882979 -0.07884313
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01552948
---------------------------------------------------
free energy TOTEN = -0.00881542 eV
energy without entropy = -0.00881542
----------------------------------------- Iteration 11( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258904; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.52457E-03 rms(broyden)= 0.52350E-03
rms(prec ) = 0.80691E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9721
4.9203 3.0427 2.4609 1.9556 1.5001 1.1283 0.9391 0.9391 0.8632
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00831415
-V(xc)+E(xc) XCENC = 0.01503950
PAW double counting = 0.07885816 -0.07887150
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553191
---------------------------------------------------
free energy TOTEN = -0.00881990 eV
energy without entropy = -0.00881990
----------------------------------------- Iteration 11( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258904; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259001; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.25984E-03 rms(broyden)= 0.25950E-03
rms(prec ) = 0.40869E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0057
5.1221 3.2959 2.6283 2.2716 1.7890 1.1871 0.9963 0.9475 0.9475 0.8720
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00831408
-V(xc)+E(xc) XCENC = 0.01503849
PAW double counting = 0.07886968 -0.07888301
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553155
---------------------------------------------------
free energy TOTEN = -0.00882047 eV
energy without entropy = -0.00882047
----------------------------------------- Iteration 11( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258903; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259001; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11414E-03 rms(broyden)= 0.11396E-03
rms(prec ) = 0.18220E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0220
5.1489 3.6854 2.7613 2.4550 1.8729 1.4580 1.1428 0.9562 0.9562 0.9558
0.8495
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00831440
-V(xc)+E(xc) XCENC = 0.01503821
PAW double counting = 0.07887016 -0.07888348
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553074
---------------------------------------------------
free energy TOTEN = -0.00882026 eV
energy without entropy = -0.00882026
----------------------------------------- Iteration 11( 14) ---------------------------------------
BZINTS: Fermi energy: 0.258903; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259001; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56019E-04 rms(broyden)= 0.55920E-04
rms(prec ) = 0.86082E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9909
5.2221 3.9082 2.7998 2.4976 1.9595 1.6927 1.1392 0.9390 0.9390 0.9911
0.9911 0.8122
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00831454
-V(xc)+E(xc) XCENC = 0.01503822
PAW double counting = 0.07886400 -0.07887733
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553032
---------------------------------------------------
free energy TOTEN = -0.00881997 eV
energy without entropy = -0.00881997
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0143 0.00000
5 -0.0375 0.00000
6 0.0152 0.00000
7 -0.0097 0.00000
8 -0.0465 0.00000
9 -0.0310 0.00000
10 -0.0220 0.00000
11 -0.0212 0.00000
12 0.0620 0.00000
13 -0.1173 0.00000
14 0.0546 0.00000
15 -0.0081 0.00000
16 0.1494 0.00000
17 0.0499 0.00000
18 -0.0606 0.00000
19 0.0626 0.00000
20 0.0600 0.00000
21 -0.0255 0.00000
22 0.0368 0.00000
23 -0.1095 0.00000
24 0.1029 0.00000
25 -0.0947 0.00000
26 -0.0595 0.00000
27 -0.1015 0.00000
28 -0.0044 0.00000
29 -0.0115 0.00000
30 -0.2259 0.00000
31 0.1103 0.00000
32 0.0696 0.00000
33 -0.0844 0.00000
34 0.0609 0.00000
35 -0.0472 0.00000
36 0.1165 0.00000
37 0.0294 0.00000
38 -0.0553 0.00000
39 0.0955 0.00000
40 0.0493 0.00000
41 -0.0730 0.00000
42 0.0262 0.00000
43 0.0520 0.00000
44 -0.5860 0.00000
45 0.0606 0.00000
46 0.0978 0.00000
47 0.1420 0.00000
48 0.0075 0.00000
49 -0.0433 0.00000
50 0.0696 0.00000
51 0.0869 0.00000
52 0.0133 0.00000
53 -0.0204 0.00000
54 0.0201 0.00000
55 -0.0409 0.00000
56 -0.0053 0.00000
57 0.0320 0.00000
58 -0.0459 0.00000
59 0.0283 0.00000
60 -0.8162 0.00000
61 0.0391 0.00000
62 1.0374 0.00000
63 0.0867 0.00000
64 0.0550 0.00000
65 -0.0606 0.00000
66 0.0937 0.00000
67 0.0184 0.00000
68 -0.0312 0.00000
69 0.0102 0.00000
70 0.0245 0.00000
71 -0.0747 0.00000
72 -0.2224 0.00000
73 -0.0312 0.00000
74 -0.0298 0.00000
75 -0.0066 0.00000
76 0.1211 0.00000
77 0.0840 0.00000
78 -0.1142 0.00000
79 -0.2415 0.00000
80 -0.1519 0.00000
81 -1.1059 0.00000
82 0.3097 0.00000
83 -0.0161 0.00000
84 -0.0228 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0742 0.00000
89 0.0937 0.00000
90 0.0397 0.00000
91 0.0719 0.00000
92 0.0833 0.00000
93 0.0446 0.00000
94 -0.5154 0.00000
95 0.3475 0.00000
96 0.4609 0.00000
97 -0.0027 0.00000
98 0.0214 0.00000
99 0.0215 0.00000
100 -0.2934 0.00000
101 -0.0149 0.00000
102 0.1517 0.00000
103 0.0529 0.00000
104 0.2368 0.00000
105 0.0827 0.00000
106 -0.0278 0.00000
107 -0.0019 0.00000
108 0.4501 0.00000
109 0.1350 0.00000
110 -0.0973 0.00000
111 -0.0513 0.00000
112 0.0827 0.00000
113 -0.0035 0.00000
114 -0.0288 0.00000
115 0.0228 0.00000
116 -0.0833 0.00000
117 -0.1190 0.00000
118 0.2069 0.00000
119 -0.1158 0.00000
120 0.1040 0.00000
121 0.1707 0.00000
122 0.0262 0.00000
123 0.3155 0.00000
124 0.5223 0.00000
125 0.1841 0.00000
126 -0.0159 0.00000
127 -0.2569 0.00000
128 -0.0370 0.00000
129 0.5491 0.00000
130 0.0793 0.00000
131 0.1023 0.00000
132 -0.1137 0.00000
133 -0.0403 0.00000
134 0.0249 0.00000
135 -0.0433 0.00000
136 0.0060 0.00000
137 -0.2122 0.00000
138 -0.1045 0.00000
139 0.0992 0.00000
140 -0.0379 0.00000
141 0.0502 0.00000
142 -0.4142 0.00000
143 0.0479 0.00000
144 -0.0425 0.00000
145 -0.1937 0.00000
146 -0.4731 0.00000
147 -0.2833 0.00000
148 0.0562 0.00000
149 -0.0248 0.00000
150 0.0670 0.00000
151 0.0256 0.00000
152 0.0575 0.00000
153 0.0580 0.00000
154 0.0073 0.00000
155 0.0795 0.00000
156 0.0412 0.00000
157 -0.0070 0.00000
158 -0.2608 0.00000
159 0.0917 0.00000
160 0.0390 0.00000
161 -0.0111 0.00000
162 -0.0222 0.00000
163 -0.0357 0.00000
164 0.0467 0.00000
165 0.0102 0.00000
166 0.0197 0.00000
167 -0.0238 0.00000
168 -0.0512 0.00000
169 -0.1340 0.00000
170 0.0988 0.00000
171 0.0003 0.00000
172 -0.0321 0.00000
173 0.0796 0.00000
174 0.0164 0.00000
175 -0.0335 0.00000
176 -0.1400 0.00000
177 -0.2082 0.00000
178 0.0224 0.00000
179 0.0145 0.00000
180 -0.1009 0.00000
181 -0.1440 0.00000
182 0.1068 0.00000
183 -0.0098 0.00000
184 0.4641 0.00000
185 0.0609 0.00000
186 0.0636 0.00000
187 0.0026 0.00000
188 0.0231 0.00000
189 0.1351 0.00000
190 -0.0248 0.00000
191 0.1360 0.00000
192 0.0174 0.00000
193 0.0934 0.00000
194 -0.0345 0.00000
195 0.3250 0.00000
196 -0.0516 0.00000
197 0.2112 0.00000
198 -0.0092 0.00000
199 -0.0170 0.00000
200 -0.0575 0.00000
201 -0.0118 0.00000
202 0.1876 0.00000
203 -0.4790 0.00000
204 -0.0570 0.00000
205 -0.0401 0.00000
206 -0.0618 0.00000
207 -0.0351 0.00000
208 0.0313 0.00000
209 -0.0995 0.00000
210 -0.0474 0.00000
211 0.0096 0.00000
212 -0.2436 0.00000
213 -0.0464 0.00000
214 0.0139 0.00000
215 0.1056 0.00000
216 -0.0062 0.00000
217 0.1074 0.00000
218 0.0261 0.00000
219 -0.0111 0.00000
220 -0.0084 0.00000
221 0.0067 0.00000
222 0.0234 0.00000
223 -0.1153 0.00000
224 0.0667 0.00000
225 -0.4374 0.00000
226 -0.3911 0.00000
227 -0.1594 0.00000
228 -0.0230 0.00000
229 -0.1162 0.00000
230 0.1031 0.00000
231 0.0716 0.00000
232 -0.1144 0.00000
233 -0.1307 0.00000
234 0.0025 0.00000
235 0.2169 0.00000
236 0.0697 0.00000
237 0.0083 0.00000
238 0.2683 0.00000
239 0.0073 0.00000
240 0.0874 0.00000
241 0.1286 0.00000
242 0.1948 0.00000
243 0.0016 0.00000
244 -0.0073 0.00000
245 -0.0906 0.00000
246 0.0386 0.00000
247 -0.0144 0.00000
248 0.0158 0.00000
249 0.0388 0.00000
250 0.0304 0.00000
251 -0.0689 0.00000
252 -0.0159 0.00000
253 0.0923 0.00000
254 -0.0478 0.00000
255 0.2186 0.00000
256 0.0221 0.00000
257 -0.0017 0.00000
258 0.0789 0.00000
259 -0.0522 0.00000
260 0.1810 0.00000
261 0.0474 0.00000
262 0.1306 0.00000
263 -0.0231 0.00000
264 0.0758 0.00000
265 -0.0296 0.00000
266 0.1029 0.00000
267 0.0242 0.00000
268 0.0318 0.00000
269 0.0169 0.00000
270 -0.0219 0.00000
271 -0.1005 0.00000
272 0.0068 0.00000
273 0.0383 0.00000
274 0.0134 0.00000
275 0.1241 0.00000
276 0.0210 0.00000
277 0.0078 0.00000
278 0.0142 0.00000
279 0.0119 0.00000
280 -0.0372 0.00000
281 -0.0461 0.00000
282 -0.0081 0.00000
283 0.0330 0.00000
284 0.0461 0.00000
285 0.0323 0.00000
286 -0.0212 0.00000
287 0.0235 0.00000
288 0.0496 0.00000
289 0.0593 0.00000
290 0.1095 0.00000
291 -0.0156 0.00000
292 0.1062 0.00000
293 0.0278 0.00000
294 -0.0468 0.00000
295 0.2599 0.00000
296 0.1246 0.00000
297 0.0595 0.00000
298 -0.0802 0.00000
299 0.1282 0.00000
300 0.1094 0.00000
301 0.1224 0.00000
302 0.1345 0.00000
303 0.0831 0.00000
304 0.1393 0.00000
305 0.0697 0.00000
306 0.2496 0.00000
307 0.0165 0.00000
308 0.1238 0.00000
309 0.1267 0.00000
310 0.0211 0.00000
311 0.1122 0.00000
312 0.1906 0.00000
313 -0.0281 0.00000
314 0.0428 0.00000
315 -0.0822 0.00000
316 0.0658 0.00000
317 0.0372 0.00000
318 -0.1103 0.00000
319 0.0157 0.00000
320 -0.0530 0.00000
321 0.0281 0.00000
322 0.0938 0.00000
323 -0.0350 0.00000
324 -0.0385 0.00000
325 -0.1817 0.00000
326 -0.0896 0.00000
327 -0.0081 0.00000
328 0.0674 0.00000
329 0.0587 0.00000
330 -0.1177 0.00000
331 -0.0411 0.00000
332 -0.0440 0.00000
333 0.0519 0.00000
334 -0.0392 0.00000
335 0.0191 0.00000
336 -0.1056 0.00000
337 -0.0788 0.00000
338 0.0023 0.00000
339 -0.1243 0.00000
340 -0.0507 0.00000
341 0.0173 0.00000
342 -0.0721 0.00000
343 -0.0353 0.00000
344 0.0028 0.00000
345 0.0492 0.00000
346 0.0246 0.00000
347 0.0024 0.00000
348 0.0060 0.00000
349 0.0076 0.00000
350 0.0370 0.00000
351 0.0037 0.00000
352 0.0038 0.00000
353 -0.0300 0.00000
354 -0.0297 0.00000
355 -0.0450 0.00000
356 -0.0220 0.00000
357 -0.0074 0.00000
358 -0.0705 0.00000
359 -0.0788 0.00000
360 0.0584 0.00000
361 -0.0359 0.00000
362 -0.1015 0.00000
363 -0.0487 0.00000
364 0.0422 0.00000
365 -0.0391 0.00000
366 -0.0876 0.00000
367 -0.1123 0.00000
368 -0.1310 0.00000
369 0.0423 0.00000
370 -0.0790 0.00000
371 -0.0465 0.00000
372 -0.0169 0.00000
373 -0.0595 0.00000
374 0.0048 0.00000
375 -0.0359 0.00000
376 0.0607 0.00000
377 -0.0448 0.00000
378 -0.0254 0.00000
379 -0.1567 0.00000
380 -0.0462 0.00000
381 -0.2197 0.00000
382 -0.1316 0.00000
383 -0.2165 0.00000
384 0.0918 0.00000
385 -0.0031 0.00000
386 -0.0187 0.00000
387 -0.2371 0.00000
388 0.0637 0.00000
389 -0.1235 0.00000
390 -0.0496 0.00000
391 -0.0008 0.00000
392 -0.1542 0.00000
393 0.0045 0.00000
394 -0.0055 0.00000
395 -0.1804 0.00000
396 -0.0560 0.00000
397 -0.0627 0.00000
398 -0.0591 0.00000
399 -0.0186 0.00000
400 -0.0249 0.00000
401 -0.0334 0.00000
402 0.0648 0.00000
403 -0.0179 0.00000
404 0.0239 0.00000
405 0.1209 0.00000
406 -0.0323 0.00000
407 -0.0060 0.00000
408 -0.0514 0.00000
409 0.0146 0.00000
410 0.1223 0.00000
411 0.0113 0.00000
412 0.0221 0.00000
413 -0.0142 0.00000
414 -0.0192 0.00000
415 0.0296 0.00000
416 0.0802 0.00000
417 0.0438 0.00000
418 0.1792 0.00000
419 0.1590 0.00000
420 0.0326 0.00000
421 0.0700 0.00000
422 -0.0099 0.00000
423 0.0584 0.00000
424 -0.0380 0.00000
425 -0.0215 0.00000
426 0.0166 0.00000
427 0.0658 0.00000
428 -0.0275 0.00000
429 0.0173 0.00000
430 0.0418 0.00000
431 -0.0322 0.00000
432 0.0150 0.00000
433 -0.0598 0.00000
434 0.1550 0.00000
435 0.1007 0.00000
436 -0.0762 0.00000
437 0.0119 0.00000
438 0.0997 0.00000
439 0.0428 0.00000
440 0.0022 0.00000
441 0.1016 0.00000
442 -0.0603 0.00000
443 0.0756 0.00000
444 -0.1055 0.00000
445 -0.0729 0.00000
446 0.0106 0.00000
447 -0.0374 0.00000
448 0.0263 0.00000
449 -0.0076 0.00000
450 -0.0707 0.00000
451 0.0255 0.00000
452 0.0188 0.00000
453 -0.1447 0.00000
454 -0.1142 0.00000
455 -0.0131 0.00000
456 -0.0724 0.00000
457 -0.0900 0.00000
458 0.0438 0.00000
459 0.1556 0.00000
460 -0.0342 0.00000
461 0.0618 0.00000
462 0.0103 0.00000
463 -0.0208 0.00000
464 -0.0349 0.00000
465 -0.0103 0.00000
466 0.0073 0.00000
467 0.0037 0.00000
468 -0.0062 0.00000
469 -0.0597 0.00000
470 -0.0514 0.00000
471 0.0318 0.00000
472 -0.1211 0.00000
473 -0.0499 0.00000
474 -0.0116 0.00000
475 0.0171 0.00000
476 -0.1210 0.00000
477 -0.0398 0.00000
478 -0.0100 0.00000
479 -0.0140 0.00000
480 -0.0777 0.00000
481 0.1426 0.00000
482 0.0222 0.00000
483 0.0104 0.00000
484 -0.0362 0.00000
485 0.0458 0.00000
486 0.0162 0.00000
487 0.0465 0.00000
488 -0.0280 0.00000
489 -0.0221 0.00000
490 -0.1266 0.00000
491 0.0494 0.00000
492 -0.0674 0.00000
493 -0.0540 0.00000
494 -0.1526 0.00000
495 -0.0423 0.00000
496 -0.0401 0.00000
497 -0.0495 0.00000
498 0.0362 0.00000
499 0.0041 0.00000
500 -0.1752 0.00000
501 -0.0031 0.00000
502 0.0277 0.00000
503 0.0110 0.00000
504 0.0615 0.00000
505 0.0312 0.00000
506 -0.0327 0.00000
507 0.0401 0.00000
508 -0.0257 0.00000
509 0.0141 0.00000
510 0.0363 0.00000
511 0.0050 0.00000
512 -0.1659 0.00000
513 0.0578 0.00000
514 0.1672 0.00000
515 -0.1940 0.00000
516 -0.0175 0.00000
517 -0.0852 0.00000
518 0.0245 0.00000
519 -0.0616 0.00000
520 0.0063 0.00000
521 -0.0926 0.00000
522 -0.0320 0.00000
523 -0.0131 0.00000
524 0.0614 0.00000
525 -0.0303 0.00000
526 -0.1339 0.00000
527 -0.0844 0.00000
528 0.0456 0.00000
529 -0.0997 0.00000
530 -0.0038 0.00000
531 0.0170 0.00000
532 0.0816 0.00000
533 0.1224 0.00000
534 0.0026 0.00000
535 0.0452 0.00000
536 -0.0694 0.00000
537 -0.0404 0.00000
538 0.1640 0.00000
539 0.0171 0.00000
540 0.0156 0.00000
541 0.0163 0.00000
542 -0.0673 0.00000
543 -0.0502 0.00000
544 -0.0394 0.00000
545 -0.0518 0.00000
546 0.0195 0.00000
547 0.0898 0.00000
548 -0.0155 0.00000
549 -0.0463 0.00000
550 0.0304 0.00000
551 -0.0030 0.00000
552 0.0618 0.00000
553 0.1086 0.00000
554 0.0303 0.00000
555 0.0253 0.00000
556 0.0307 0.00000
557 -0.0029 0.00000
558 -0.0434 0.00000
559 -0.0655 0.00000
560 0.0381 0.00000
561 0.0074 0.00000
562 0.0435 0.00000
563 0.0574 0.00000
564 -0.0181 0.00000
565 0.0825 0.00000
566 -0.0008 0.00000
567 -0.0610 0.00000
568 -0.0028 0.00000
569 0.0088 0.00000
570 0.1051 0.00000
571 0.0558 0.00000
572 0.0522 0.00000
573 0.0006 0.00000
574 0.2368 0.00000
575 0.0416 0.00000
576 0.0551 0.00000
577 0.1338 0.00000
578 0.2702 0.00000
579 -0.1519 0.00000
580 -0.0041 0.00000
581 0.2628 0.00000
582 -0.0705 0.00000
583 -0.0026 0.00000
584 -0.1534 0.00000
585 -0.2126 0.00000
586 -0.0804 0.00000
587 0.0553 0.00000
588 -0.2288 0.00000
589 0.0586 0.00000
590 -0.4705 0.00000
591 -0.1871 0.00000
592 -0.2380 0.00000
593 -0.0904 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0712 0.00000
597 0.0692 0.00000
598 0.0382 0.00000
599 0.0751 0.00000
600 0.0728 0.00000
601 0.0630 0.00000
602 0.0189 0.00000
603 0.0737 0.00000
604 0.0948 0.00000
605 0.0310 0.00000
606 0.0499 0.00000
607 0.0502 0.00000
608 -0.0574 0.00000
609 0.0688 0.00000
610 -0.0757 0.00000
611 0.0457 0.00000
612 -0.1028 0.00000
613 0.0405 0.00000
614 0.0673 0.00000
615 0.0581 0.00000
616 -0.0211 0.00000
617 0.1114 0.00000
618 0.0011 0.00000
619 0.0356 0.00000
620 0.0711 0.00000
621 -0.0414 0.00000
622 0.0274 0.00000
623 0.0453 0.00000
624 0.0552 0.00000
625 0.0136 0.00000
626 0.1280 0.00000
627 0.0916 0.00000
628 0.0555 0.00000
629 0.0779 0.00000
630 0.0381 0.00000
631 0.0590 0.00000
632 0.0435 0.00000
633 0.0538 0.00000
634 0.0091 0.00000
635 0.0243 0.00000
636 0.0201 0.00000
637 0.0702 0.00000
638 -0.0134 0.00000
639 0.0454 0.00000
640 0.0243 0.00000
641 0.0354 0.00000
642 0.0495 0.00000
643 0.0497 0.00000
644 0.0902 0.00000
645 0.0424 0.00000
646 -0.0465 0.00000
647 0.0669 0.00000
648 0.0364 0.00000
649 -0.0026 0.00000
650 0.0251 0.00000
651 -0.0197 0.00000
652 -0.1047 0.00000
653 -0.0414 0.00000
654 0.0712 0.00000
655 0.0535 0.00000
656 0.0031 0.00000
657 0.0296 0.00000
658 0.0155 0.00000
659 0.0237 0.00000
660 -0.0220 0.00000
661 0.0293 0.00000
662 0.0822 0.00000
663 -0.0019 0.00000
664 -0.0555 0.00000
665 -0.0167 0.00000
666 -0.0092 0.00000
667 0.0190 0.00000
668 -0.0397 0.00000
669 0.0676 0.00000
670 -0.0523 0.00000
671 0.1349 0.00000
672 0.0316 0.00000
673 0.0692 0.00000
674 -0.0145 0.00000
675 -0.0058 0.00000
676 -0.0152 0.00000
677 0.1056 0.00000
678 0.0313 0.00000
679 0.0295 0.00000
680 0.0497 0.00000
681 -0.0296 0.00000
682 0.0365 0.00000
683 0.1638 0.00000
684 -0.0557 0.00000
685 0.0449 0.00000
686 0.0404 0.00000
687 0.0290 0.00000
688 -0.0536 0.00000
689 -0.0872 0.00000
690 0.0046 0.00000
691 0.0050 0.00000
692 0.0207 0.00000
693 0.0603 0.00000
694 0.0307 0.00000
695 0.0461 0.00000
696 -0.0287 0.00000
697 0.0040 0.00000
698 0.0461 0.00000
699 0.0193 0.00000
700 0.0067 0.00000
701 0.0738 0.00000
702 -0.0028 0.00000
703 0.0179 0.00000
704 -0.0006 0.00000
705 0.0664 0.00000
706 -0.0146 0.00000
707 0.0277 0.00000
708 0.0257 0.00000
709 -0.0193 0.00000
710 -0.0515 0.00000
711 0.0301 0.00000
712 0.0049 0.00000
713 0.0403 0.00000
714 0.0390 0.00000
715 0.0911 0.00000
716 0.0066 0.00000
717 -0.0542 0.00000
718 0.0248 0.00000
719 -0.0154 0.00000
720 -0.1536 0.00000
721 -0.0148 0.00000
722 0.0043 0.00000
723 0.0265 0.00000
724 0.1024 0.00000
725 -0.0622 0.00000
726 0.0040 0.00000
727 -0.0122 0.00000
728 0.0261 0.00000
729 0.0287 0.00000
730 -0.0379 0.00000
731 0.0029 0.00000
732 -0.0157 0.00000
733 0.0062 0.00000
734 0.0343 0.00000
735 -0.0019 0.00000
736 -0.0003 0.00000
737 -0.0100 0.00000
738 0.0145 0.00000
739 0.0974 0.00000
740 0.0274 0.00000
741 0.0465 0.00000
742 0.0081 0.00000
743 0.0403 0.00000
744 0.1177 0.00000
745 -0.0134 0.00000
746 0.0262 0.00000
747 -0.0024 0.00000
748 -0.0477 0.00000
749 0.0402 0.00000
750 -0.0741 0.00000
751 -0.0071 0.00000
752 -0.0229 0.00000
753 0.0404 0.00000
754 0.0060 0.00000
755 0.0174 0.00000
756 0.0162 0.00000
757 0.0859 0.00000
758 0.0473 0.00000
759 -0.0157 0.00000
760 0.0021 0.00000
761 0.0034 0.00000
762 0.0318 0.00000
763 -0.0624 0.00000
764 -0.0041 0.00000
765 -0.0588 0.00000
766 -0.0626 0.00000
767 -0.0369 0.00000
768 0.0290 0.00000
769 -0.0098 0.00000
770 -0.0666 0.00000
771 -0.0539 0.00000
772 -0.0252 0.00000
773 -0.0488 0.00000
774 0.0548 0.00000
775 0.0238 0.00000
776 -0.0029 0.00000
777 -0.0112 0.00000
778 -0.0049 0.00000
779 0.0277 0.00000
780 -0.0357 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0137 0.00000
5 -0.0381 0.00000
6 0.0153 0.00000
7 -0.0096 0.00000
8 -0.0465 0.00000
9 -0.0310 0.00000
10 -0.0226 0.00000
11 -0.0212 0.00000
12 0.0624 0.00000
13 -0.1172 0.00000
14 0.0545 0.00000
15 -0.0084 0.00000
16 0.1508 0.00000
17 0.0491 0.00000
18 -0.0617 0.00000
19 0.0573 0.00000
20 0.0661 0.00000
21 -0.0253 0.00000
22 0.0375 0.00000
23 -0.0986 0.00000
24 0.0209 0.00000
25 0.0099 0.00000
26 -0.1685 0.00000
27 -0.0250 0.00000
28 -0.0361 0.00000
29 -0.0287 0.00000
30 -0.1764 0.00000
31 0.0918 0.00000
32 0.0854 0.00000
33 -0.0858 0.00000
34 0.0611 0.00000
35 -0.0464 0.00000
36 0.1204 0.00000
37 0.0266 0.00000
38 -0.0575 0.00000
39 0.1016 0.00000
40 0.0488 0.00000
41 -0.0699 0.00000
42 -0.0734 0.00000
43 0.0459 0.00000
44 -0.4928 0.00000
45 0.0648 0.00000
46 0.0825 0.00000
47 0.1576 0.00000
48 0.0066 0.00000
49 -0.0199 0.00000
50 0.0597 0.00000
51 0.0785 0.00000
52 0.0070 0.00000
53 -0.0251 0.00000
54 -0.0030 0.00000
55 -0.0085 0.00000
56 -0.0085 0.00000
57 0.0303 0.00000
58 -0.0471 0.00000
59 -0.0021 0.00000
60 -0.8045 0.00000
61 0.3981 0.00000
62 0.3140 0.00000
63 0.3830 0.00000
64 0.1391 0.00000
65 -0.0104 0.00000
66 0.0334 0.00000
67 0.0133 0.00000
68 0.0041 0.00000
69 0.0036 0.00000
70 -0.0733 0.00000
71 0.0134 0.00000
72 -0.2225 0.00000
73 -0.0295 0.00000
74 -0.0218 0.00000
75 -0.0620 0.00000
76 0.1741 0.00000
77 0.0754 0.00000
78 -0.0964 0.00000
79 -0.2529 0.00000
80 -0.1529 0.00000
81 -1.1058 0.00000
82 0.3091 0.00000
83 -0.0161 0.00000
84 -0.0228 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0742 0.00000
89 0.0949 0.00000
90 0.0398 0.00000
91 0.0776 0.00000
92 0.0688 0.00000
93 0.0159 0.00000
94 -0.4567 0.00000
95 0.3767 0.00000
96 0.3821 0.00000
97 0.0080 0.00000
98 0.0228 0.00000
99 0.0249 0.00000
100 -0.2720 0.00000
101 -0.0308 0.00000
102 0.1870 0.00000
103 -0.0323 0.00000
104 0.3369 0.00000
105 0.0024 0.00000
106 0.0189 0.00000
107 -0.0490 0.00000
108 0.4291 0.00000
109 0.1851 0.00000
110 0.0274 0.00000
111 -0.1503 0.00000
112 0.0772 0.00000
113 -0.0277 0.00000
114 -0.0383 0.00000
115 0.0450 0.00000
116 -0.0888 0.00000
117 -0.1199 0.00000
118 0.2078 0.00000
119 -0.1375 0.00000
120 0.1103 0.00000
121 0.1502 0.00000
122 0.0683 0.00000
123 0.2222 0.00000
124 0.7104 0.00000
125 0.0890 0.00000
126 -0.0344 0.00000
127 -0.2269 0.00000
128 -0.0372 0.00000
129 0.5730 0.00000
130 0.1315 0.00000
131 0.0757 0.00000
132 -0.2083 0.00000
133 -0.0125 0.00000
134 0.0310 0.00000
135 -0.0428 0.00000
136 -0.0193 0.00000
137 -0.1846 0.00000
138 -0.1095 0.00000
139 0.1007 0.00000
140 -0.0360 0.00000
141 0.0475 0.00000
142 -0.4275 0.00000
143 0.0595 0.00000
144 -0.0410 0.00000
145 -0.2042 0.00000
146 -0.4665 0.00000
147 -0.2800 0.00000
148 0.0656 0.00000
149 -0.0323 0.00000
150 0.0630 0.00000
151 0.0357 0.00000
152 0.0106 0.00000
153 0.1077 0.00000
154 0.0019 0.00000
155 0.0729 0.00000
156 0.0216 0.00000
157 -0.0695 0.00000
158 -0.1020 0.00000
159 0.1001 0.00000
160 -0.1120 0.00000
161 -0.0170 0.00000
162 0.0230 0.00000
163 -0.0151 0.00000
164 0.0825 0.00000
165 0.0126 0.00000
166 -0.0008 0.00000
167 0.0030 0.00000
168 -0.1361 0.00000
169 0.0653 0.00000
170 -0.0622 0.00000
171 0.0276 0.00000
172 -0.0032 0.00000
173 -0.1119 0.00000
174 0.0491 0.00000
175 0.0099 0.00000
176 0.0474 0.00000
177 -0.0807 0.00000
178 -0.2793 0.00000
179 -0.0486 0.00000
180 -0.1339 0.00000
181 0.0299 0.00000
182 0.0644 0.00000
183 0.3261 0.00000
184 0.1646 0.00000
185 0.0677 0.00000
186 0.0055 0.00000
187 0.1419 0.00000
188 0.0006 0.00000
189 -0.0273 0.00000
190 0.0502 0.00000
191 0.0854 0.00000
192 0.0395 0.00000
193 0.0026 0.00000
194 0.0048 0.00000
195 0.4258 0.00000
196 -0.0378 0.00000
197 0.0286 0.00000
198 0.1508 0.00000
199 -0.0163 0.00000
200 -0.0798 0.00000
201 0.1032 0.00000
202 0.0455 0.00000
203 -0.4183 0.00000
204 0.0379 0.00000
205 -0.0747 0.00000
206 -0.1186 0.00000
207 -0.0530 0.00000
208 -0.0730 0.00000
209 0.0214 0.00000
210 -0.0369 0.00000
211 -0.1419 0.00000
212 -0.1190 0.00000
213 -0.0466 0.00000
214 0.0049 0.00000
215 0.1509 0.00000
216 0.0014 0.00000
217 0.0394 0.00000
218 0.0180 0.00000
219 -0.0113 0.00000
220 0.0227 0.00000
221 -0.0282 0.00000
222 0.0623 0.00000
223 -0.0490 0.00000
224 0.1112 0.00000
225 -0.9054 0.00000
226 -0.0745 0.00000
227 -0.0898 0.00000
228 -0.0227 0.00000
229 -0.1074 0.00000
230 0.0792 0.00000
231 0.0703 0.00000
232 -0.1303 0.00000
233 -0.1213 0.00000
234 0.0040 0.00000
235 0.1852 0.00000
236 0.1122 0.00000
237 0.0320 0.00000
238 0.1560 0.00000
239 0.1395 0.00000
240 0.0482 0.00000
241 0.1548 0.00000
242 0.0221 0.00000
243 -0.0153 0.00000
244 -0.0837 0.00000
245 0.0771 0.00000
246 0.0471 0.00000
247 -0.0292 0.00000
248 0.0560 0.00000
249 0.0494 0.00000
250 0.0492 0.00000
251 -0.0066 0.00000
252 -0.0902 0.00000
253 0.0644 0.00000
254 0.2330 0.00000
255 -0.0246 0.00000
256 0.0729 0.00000
257 -0.0120 0.00000
258 0.0385 0.00000
259 0.0571 0.00000
260 0.0595 0.00000
261 0.0408 0.00000
262 0.2005 0.00000
263 -0.0156 0.00000
264 0.0248 0.00000
265 0.0521 0.00000
266 0.0342 0.00000
267 -0.0580 0.00000
268 -0.0882 0.00000
269 -0.0971 0.00000
270 0.0666 0.00000
271 -0.0291 0.00000
272 0.0869 0.00000
273 0.1207 0.00000
274 0.0992 0.00000
275 -0.0692 0.00000
276 0.0435 0.00000
277 0.1269 0.00000
278 0.0175 0.00000
279 -0.0556 0.00000
280 0.0338 0.00000
281 -0.0434 0.00000
282 -0.0353 0.00000
283 -0.0881 0.00000
284 0.0317 0.00000
285 0.0004 0.00000
286 0.0002 0.00000
287 0.0852 0.00000
288 0.0779 0.00000
289 0.0256 0.00000
290 0.0665 0.00000
291 0.0427 0.00000
292 0.1849 0.00000
293 0.1046 0.00000
294 0.0184 0.00000
295 0.0443 0.00000
296 0.0923 0.00000
297 0.0065 0.00000
298 0.0852 0.00000
299 0.1661 0.00000
300 0.0110 0.00000
301 0.0712 0.00000
302 0.1015 0.00000
303 0.1331 0.00000
304 0.0089 0.00000
305 0.2723 0.00000
306 0.2945 0.00000
307 0.0858 0.00000
308 0.0188 0.00000
309 -0.0658 0.00000
310 0.2643 0.00000
311 -0.0146 0.00000
312 0.0919 0.00000
313 -0.0014 0.00000
314 -0.0554 0.00000
315 -0.0329 0.00000
316 0.1406 0.00000
317 0.0164 0.00000
318 0.0068 0.00000
319 0.0191 0.00000
320 0.0143 0.00000
321 -0.0125 0.00000
322 0.0342 0.00000
323 -0.1163 0.00000
324 0.0065 0.00000
325 -0.0720 0.00000
326 0.0243 0.00000
327 -0.0552 0.00000
328 -0.1541 0.00000
329 0.0014 0.00000
330 0.0200 0.00000
331 0.0010 0.00000
332 0.0465 0.00000
333 -0.0541 0.00000
334 -0.0532 0.00000
335 0.0022 0.00000
336 -0.0264 0.00000
337 -0.0383 0.00000
338 -0.1508 0.00000
339 -0.1339 0.00000
340 -0.0360 0.00000
341 -0.0183 0.00000
342 0.0072 0.00000
343 -0.0137 0.00000
344 0.0088 0.00000
345 0.0332 0.00000
346 -0.0037 0.00000
347 0.0590 0.00000
348 0.0112 0.00000
349 -0.0147 0.00000
350 -0.0371 0.00000
351 -0.0374 0.00000
352 -0.0243 0.00000
353 -0.0268 0.00000
354 -0.0651 0.00000
355 -0.0148 0.00000
356 0.0113 0.00000
357 0.0337 0.00000
358 0.0153 0.00000
359 0.0095 0.00000
360 -0.0976 0.00000
361 -0.0082 0.00000
362 -0.0246 0.00000
363 -0.0291 0.00000
364 -0.0250 0.00000
365 -0.1366 0.00000
366 -0.0242 0.00000
367 -0.0156 0.00000
368 -0.0451 0.00000
369 -0.2797 0.00000
370 -0.0115 0.00000
371 -0.0327 0.00000
372 -0.1409 0.00000
373 -0.1228 0.00000
374 0.0112 0.00000
375 -0.0451 0.00000
376 -0.0326 0.00000
377 0.0138 0.00000
378 -0.0349 0.00000
379 -0.0704 0.00000
380 -0.1583 0.00000
381 -0.0705 0.00000
382 0.0026 0.00000
383 -0.1240 0.00000
384 0.0420 0.00000
385 -0.1508 0.00000
386 -0.0056 0.00000
387 -0.0604 0.00000
388 -0.0383 0.00000
389 0.0674 0.00000
390 -0.0952 0.00000
391 -0.0723 0.00000
392 0.0227 0.00000
393 -0.0392 0.00000
394 -0.2596 0.00000
395 0.0344 0.00000
396 -0.1840 0.00000
397 0.0177 0.00000
398 -0.0267 0.00000
399 0.0012 0.00000
400 -0.0290 0.00000
401 -0.0112 0.00000
402 0.0211 0.00000
403 -0.0082 0.00000
404 0.0796 0.00000
405 -0.1438 0.00000
406 -0.0080 0.00000
407 0.1392 0.00000
408 0.0804 0.00000
409 -0.0223 0.00000
410 0.0878 0.00000
411 -0.0922 0.00000
412 0.0564 0.00000
413 0.0482 0.00000
414 -0.0532 0.00000
415 -0.0745 0.00000
416 0.1052 0.00000
417 0.0134 0.00000
418 -0.1143 0.00000
419 0.3580 0.00000
420 0.0063 0.00000
421 0.0963 0.00000
422 0.0444 0.00000
423 -0.0409 0.00000
424 0.0411 0.00000
425 0.0280 0.00000
426 0.0540 0.00000
427 0.0424 0.00000
428 -0.0105 0.00000
429 0.0025 0.00000
430 0.1110 0.00000
431 0.0309 0.00000
432 -0.0332 0.00000
433 -0.0793 0.00000
434 -0.0036 0.00000
435 0.0995 0.00000
436 0.0177 0.00000
437 -0.0090 0.00000
438 -0.0084 0.00000
439 0.0708 0.00000
440 0.0218 0.00000
441 -0.0163 0.00000
442 0.0002 0.00000
443 -0.0322 0.00000
444 0.0733 0.00000
445 0.0119 0.00000
446 -0.0655 0.00000
447 0.0081 0.00000
448 0.1311 0.00000
449 0.0875 0.00000
450 -0.0699 0.00000
451 0.0258 0.00000
452 -0.0579 0.00000
453 -0.0467 0.00000
454 -0.0287 0.00000
455 -0.2159 0.00000
456 -0.0599 0.00000
457 0.1715 0.00000
458 -0.0451 0.00000
459 -0.0541 0.00000
460 0.0205 0.00000
461 -0.0616 0.00000
462 -0.0036 0.00000
463 0.0163 0.00000
464 -0.1309 0.00000
465 -0.0037 0.00000
466 -0.1138 0.00000
467 -0.0206 0.00000
468 -0.0624 0.00000
469 0.0055 0.00000
470 -0.0331 0.00000
471 0.0837 0.00000
472 0.0590 0.00000
473 0.0035 0.00000
474 0.0291 0.00000
475 0.0126 0.00000
476 0.0035 0.00000
477 -0.0216 0.00000
478 -0.1407 0.00000
479 -0.1328 0.00000
480 0.0006 0.00000
481 0.0310 0.00000
482 -0.1068 0.00000
483 0.0762 0.00000
484 0.0168 0.00000
485 0.0207 0.00000
486 0.0626 0.00000
487 -0.0576 0.00000
488 0.0846 0.00000
489 -0.0030 0.00000
490 -0.0212 0.00000
491 -0.1762 0.00000
492 0.0263 0.00000
493 -0.0178 0.00000
494 0.0404 0.00000
495 -0.0154 0.00000
496 -0.1782 0.00000
497 -0.0142 0.00000
498 -0.0186 0.00000
499 -0.0873 0.00000
500 0.0627 0.00000
501 -0.0334 0.00000
502 -0.0555 0.00000
503 -0.0036 0.00000
504 -0.0076 0.00000
505 0.0767 0.00000
506 -0.0673 0.00000
507 -0.0230 0.00000
508 -0.0171 0.00000
509 0.0218 0.00000
510 -0.1463 0.00000
511 -0.0486 0.00000
512 0.0513 0.00000
513 0.0188 0.00000
514 -0.0132 0.00000
515 0.0104 0.00000
516 -0.0795 0.00000
517 0.0291 0.00000
518 -0.0202 0.00000
519 -0.0219 0.00000
520 0.0062 0.00000
521 -0.1243 0.00000
522 -0.1092 0.00000
523 0.0133 0.00000
524 0.0732 0.00000
525 0.0779 0.00000
526 0.0472 0.00000
527 -0.2035 0.00000
528 -0.0352 0.00000
529 0.0140 0.00000
530 -0.0536 0.00000
531 -0.1079 0.00000
532 -0.0330 0.00000
533 0.0885 0.00000
534 0.0721 0.00000
535 0.0917 0.00000
536 -0.0317 0.00000
537 0.1332 0.00000
538 0.0400 0.00000
539 -0.0949 0.00000
540 -0.0483 0.00000
541 -0.0405 0.00000
542 0.0400 0.00000
543 -0.0624 0.00000
544 0.1240 0.00000
545 0.0082 0.00000
546 0.0089 0.00000
547 -0.0036 0.00000
548 0.0110 0.00000
549 -0.0015 0.00000
550 -0.1283 0.00000
551 0.1310 0.00000
552 0.0853 0.00000
553 0.0256 0.00000
554 -0.0347 0.00000
555 0.0151 0.00000
556 0.0190 0.00000
557 0.0238 0.00000
558 0.0547 0.00000
559 -0.0017 0.00000
560 -0.0523 0.00000
561 0.0525 0.00000
562 -0.0048 0.00000
563 -0.0348 0.00000
564 -0.0389 0.00000
565 0.0025 0.00000
566 0.0457 0.00000
567 0.1491 0.00000
568 0.0765 0.00000
569 0.0571 0.00000
570 -0.0325 0.00000
571 0.0614 0.00000
572 0.0174 0.00000
573 -0.0554 0.00000
574 -0.1157 0.00000
575 0.3004 0.00000
576 0.0334 0.00000
577 0.1301 0.00000
578 0.3049 0.00000
579 0.2521 0.00000
580 -0.0042 0.00000
581 -0.0758 0.00000
582 -0.0114 0.00000
583 -0.0097 0.00000
584 -0.0713 0.00000
585 -0.1858 0.00000
586 -0.1813 0.00000
587 0.0522 0.00000
588 -0.2308 0.00000
589 0.0601 0.00000
590 -0.5996 0.00000
591 -0.0526 0.00000
592 -0.2674 0.00000
593 -0.0792 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0711 0.00000
597 0.0691 0.00000
598 0.0099 0.00000
599 0.1313 0.00000
600 0.0486 0.00000
601 0.0127 0.00000
602 0.0346 0.00000
603 0.0698 0.00000
604 0.1021 0.00000
605 0.0567 0.00000
606 0.0686 0.00000
607 0.0249 0.00000
608 0.0237 0.00000
609 0.0411 0.00000
610 -0.1265 0.00000
611 0.0426 0.00000
612 0.0020 0.00000
613 -0.0141 0.00000
614 0.0212 0.00000
615 0.0088 0.00000
616 0.0095 0.00000
617 0.1233 0.00000
618 0.0977 0.00000
619 -0.0218 0.00000
620 -0.0123 0.00000
621 0.0551 0.00000
622 0.0889 0.00000
623 0.0379 0.00000
624 0.0118 0.00000
625 0.0248 0.00000
626 0.0320 0.00000
627 0.0806 0.00000
628 0.0577 0.00000
629 0.0391 0.00000
630 0.0752 0.00000
631 0.0068 0.00000
632 0.0691 0.00000
633 0.0580 0.00000
634 0.0314 0.00000
635 0.1188 0.00000
636 0.0077 0.00000
637 -0.0250 0.00000
638 0.1136 0.00000
639 -0.0005 0.00000
640 0.0376 0.00000
641 0.0284 0.00000
642 -0.0491 0.00000
643 0.0900 0.00000
644 0.0037 0.00000
645 0.0093 0.00000
646 0.0429 0.00000
647 0.0222 0.00000
648 0.0463 0.00000
649 0.0792 0.00000
650 0.0223 0.00000
651 0.0177 0.00000
652 0.0304 0.00000
653 0.0199 0.00000
654 0.0187 0.00000
655 -0.0301 0.00000
656 0.0727 0.00000
657 0.0304 0.00000
658 0.0169 0.00000
659 -0.0360 0.00000
660 -0.0280 0.00000
661 0.0407 0.00000
662 0.0130 0.00000
663 0.0109 0.00000
664 -0.0458 0.00000
665 -0.0555 0.00000
666 -0.0201 0.00000
667 0.0145 0.00000
668 0.0508 0.00000
669 -0.0570 0.00000
670 -0.0064 0.00000
671 0.0697 0.00000
672 0.0449 0.00000
673 -0.0065 0.00000
674 0.0930 0.00000
675 0.0422 0.00000
676 -0.0136 0.00000
677 -0.0171 0.00000
678 -0.0208 0.00000
679 0.0449 0.00000
680 0.0133 0.00000
681 0.0346 0.00000
682 0.0920 0.00000
683 0.0755 0.00000
684 0.0725 0.00000
685 0.0830 0.00000
686 0.0415 0.00000
687 0.0329 0.00000
688 -0.0815 0.00000
689 0.0257 0.00000
690 0.0300 0.00000
691 0.0131 0.00000
692 0.0755 0.00000
693 -0.0349 0.00000
694 0.0359 0.00000
695 -0.0443 0.00000
696 -0.0073 0.00000
697 0.1046 0.00000
698 -0.0167 0.00000
699 -0.0364 0.00000
700 -0.0389 0.00000
701 -0.0041 0.00000
702 0.0229 0.00000
703 0.0232 0.00000
704 0.0632 0.00000
705 0.0037 0.00000
706 0.0153 0.00000
707 0.0744 0.00000
708 -0.0646 0.00000
709 -0.0015 0.00000
710 0.0481 0.00000
711 0.0345 0.00000
712 -0.0100 0.00000
713 0.0188 0.00000
714 -0.0110 0.00000
715 -0.1524 0.00000
716 -0.0293 0.00000
717 0.0386 0.00000
718 -0.0054 0.00000
719 0.0452 0.00000
720 -0.0942 0.00000
721 0.0122 0.00000
722 0.0378 0.00000
723 0.0612 0.00000
724 0.0605 0.00000
725 0.0033 0.00000
726 0.0197 0.00000
727 0.0152 0.00000
728 0.0615 0.00000
729 0.0159 0.00000
730 0.0268 0.00000
731 -0.0029 0.00000
732 0.0039 0.00000
733 -0.0139 0.00000
734 0.0071 0.00000
735 0.0170 0.00000
736 -0.0300 0.00000
737 0.0097 0.00000
738 0.0128 0.00000
739 0.0066 0.00000
740 0.0214 0.00000
741 0.0479 0.00000
742 0.0195 0.00000
743 0.0120 0.00000
744 -0.0319 0.00000
745 -0.0087 0.00000
746 0.1175 0.00000
747 -0.0527 0.00000
748 -0.0363 0.00000
749 -0.0132 0.00000
750 0.0163 0.00000
751 0.0255 0.00000
752 -0.0120 0.00000
753 0.0493 0.00000
754 -0.0070 0.00000
755 0.0443 0.00000
756 -0.0219 0.00000
757 -0.0701 0.00000
758 0.0250 0.00000
759 0.0055 0.00000
760 0.0249 0.00000
761 0.0252 0.00000
762 -0.0078 0.00000
763 0.0029 0.00000
764 -0.0162 0.00000
765 -0.0392 0.00000
766 -0.0169 0.00000
767 0.0191 0.00000
768 0.0570 0.00000
769 -0.0872 0.00000
770 0.0245 0.00000
771 -0.0121 0.00000
772 -0.0603 0.00000
773 0.0284 0.00000
774 0.0335 0.00000
775 0.0453 0.00000
776 -0.0226 0.00000
777 -0.0229 0.00000
778 -0.0414 0.00000
779 0.0087 0.00000
780 -0.0752 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0144 0.00000
5 -0.0374 0.00000
6 0.0153 0.00000
7 -0.0097 0.00000
8 -0.0466 0.00000
9 -0.0309 0.00000
10 -0.0219 0.00000
11 -0.0212 0.00000
12 0.0619 0.00000
13 -0.1176 0.00000
14 0.0549 0.00000
15 -0.0080 0.00000
16 0.2021 0.00000
17 -0.0166 0.00000
18 -0.0490 0.00000
19 0.0606 0.00000
20 0.0633 0.00000
21 -0.0255 0.00000
22 0.0369 0.00000
23 -0.1083 0.00000
24 0.1071 0.00000
25 -0.0988 0.00000
26 -0.0894 0.00000
27 -0.0710 0.00000
28 0.0020 0.00000
29 -0.0194 0.00000
30 -0.2300 0.00000
31 0.1054 0.00000
32 0.0634 0.00000
33 -0.0159 0.00000
34 0.0125 0.00000
35 -0.0456 0.00000
36 0.0852 0.00000
37 0.0840 0.00000
38 -0.0871 0.00000
39 0.0529 0.00000
40 0.1084 0.00000
41 -0.0820 0.00000
42 0.0331 0.00000
43 0.0506 0.00000
44 -0.4359 0.00000
45 -0.1051 0.00000
46 0.1913 0.00000
47 0.0438 0.00000
48 0.0555 0.00000
49 -0.0191 0.00000
50 -0.0157 0.00000
51 0.0852 0.00000
52 0.0541 0.00000
53 -0.0199 0.00000
54 -0.0070 0.00000
55 -0.0266 0.00000
56 -0.0507 0.00000
57 -0.0789 0.00000
58 0.0316 0.00000
59 0.0001 0.00000
60 -0.6410 0.00000
61 -0.0086 0.00000
62 0.8197 0.00000
63 0.2345 0.00000
64 0.0225 0.00000
65 0.1045 0.00000
66 0.0011 0.00000
67 0.0273 0.00000
68 -0.0340 0.00000
69 0.0100 0.00000
70 0.0240 0.00000
71 -0.0746 0.00000
72 -0.2221 0.00000
73 -0.0312 0.00000
74 -0.0299 0.00000
75 -0.0101 0.00000
76 0.1237 0.00000
77 0.0885 0.00000
78 -0.1146 0.00000
79 -0.2440 0.00000
80 -0.1508 0.00000
81 -1.1080 0.00000
82 0.3097 0.00000
83 -0.0161 0.00000
84 -0.0228 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0741 0.00000
89 0.0936 0.00000
90 0.0398 0.00000
91 0.0726 0.00000
92 0.0825 0.00000
93 0.0466 0.00000
94 -0.4891 0.00000
95 0.3229 0.00000
96 0.4640 0.00000
97 -0.0205 0.00000
98 0.0156 0.00000
99 0.0414 0.00000
100 -0.3095 0.00000
101 0.0077 0.00000
102 0.1395 0.00000
103 0.0066 0.00000
104 0.2986 0.00000
105 0.0639 0.00000
106 -0.0031 0.00000
107 0.0118 0.00000
108 0.3245 0.00000
109 0.1853 0.00000
110 -0.1835 0.00000
111 0.0917 0.00000
112 -0.0001 0.00000
113 0.1009 0.00000
114 -0.0192 0.00000
115 0.0081 0.00000
116 -0.1182 0.00000
117 -0.0959 0.00000
118 0.1743 0.00000
119 -0.1177 0.00000
120 0.1046 0.00000
121 0.1931 0.00000
122 0.0287 0.00000
123 0.0795 0.00000
124 0.8351 0.00000
125 0.0912 0.00000
126 -0.0113 0.00000
127 -0.2409 0.00000
128 -0.0481 0.00000
129 0.5796 0.00000
130 0.0258 0.00000
131 0.0802 0.00000
132 -0.0232 0.00000
133 -0.0892 0.00000
134 0.0249 0.00000
135 -0.0438 0.00000
136 0.0082 0.00000
137 -0.2172 0.00000
138 -0.1080 0.00000
139 0.1127 0.00000
140 -0.0313 0.00000
141 0.0505 0.00000
142 -0.4199 0.00000
143 0.0480 0.00000
144 -0.0562 0.00000
145 -0.1904 0.00000
146 -0.4701 0.00000
147 -0.2832 0.00000
148 0.0666 0.00000
149 -0.0458 0.00000
150 0.0700 0.00000
151 0.0790 0.00000
152 0.0097 0.00000
153 0.0327 0.00000
154 0.0312 0.00000
155 0.0638 0.00000
156 0.0143 0.00000
157 -0.1073 0.00000
158 0.0900 0.00000
159 0.0222 0.00000
160 -0.0754 0.00000
161 0.0193 0.00000
162 -0.1326 0.00000
163 0.0405 0.00000
164 0.0986 0.00000
165 -0.0782 0.00000
166 -0.0533 0.00000
167 -0.0080 0.00000
168 0.0441 0.00000
169 0.0020 0.00000
170 -0.0649 0.00000
171 0.0117 0.00000
172 0.0800 0.00000
173 0.0056 0.00000
174 0.0225 0.00000
175 -0.2710 0.00000
176 0.0383 0.00000
177 -0.0876 0.00000
178 -0.0881 0.00000
179 0.0054 0.00000
180 -0.1875 0.00000
181 -0.0215 0.00000
182 0.0842 0.00000
183 0.0166 0.00000
184 0.4214 0.00000
185 0.0490 0.00000
186 0.1165 0.00000
187 -0.0264 0.00000
188 0.0873 0.00000
189 0.2180 0.00000
190 -0.0427 0.00000
191 0.0439 0.00000
192 0.0319 0.00000
193 -0.0323 0.00000
194 0.0534 0.00000
195 0.1280 0.00000
196 -0.0793 0.00000
197 0.2852 0.00000
198 0.2304 0.00000
199 -0.0060 0.00000
200 -0.0168 0.00000
201 -0.3329 0.00000
202 -0.0037 0.00000
203 -0.0854 0.00000
204 -0.1328 0.00000
205 -0.0434 0.00000
206 0.0809 0.00000
207 -0.1604 0.00000
208 -0.0589 0.00000
209 0.0353 0.00000
210 -0.0159 0.00000
211 -0.0369 0.00000
212 -0.2262 0.00000
213 -0.0610 0.00000
214 0.0823 0.00000
215 0.0408 0.00000
216 0.0281 0.00000
217 0.0405 0.00000
218 0.0331 0.00000
219 -0.0231 0.00000
220 0.0415 0.00000
221 -0.0109 0.00000
222 0.0435 0.00000
223 -0.0211 0.00000
224 -0.1237 0.00000
225 -0.4483 0.00000
226 -0.3147 0.00000
227 -0.1452 0.00000
228 -0.0219 0.00000
229 -0.1219 0.00000
230 0.1041 0.00000
231 0.0714 0.00000
232 -0.1129 0.00000
233 -0.1339 0.00000
234 0.0032 0.00000
235 0.2195 0.00000
236 0.0424 0.00000
237 0.3044 0.00000
238 0.0463 0.00000
239 -0.0331 0.00000
240 0.0677 0.00000
241 0.1271 0.00000
242 0.2092 0.00000
243 0.0007 0.00000
244 -0.0071 0.00000
245 -0.1126 0.00000
246 0.0568 0.00000
247 -0.0146 0.00000
248 0.0134 0.00000
249 0.0379 0.00000
250 0.0454 0.00000
251 0.0075 0.00000
252 -0.1630 0.00000
253 0.2797 0.00000
254 0.0019 0.00000
255 0.0230 0.00000
256 0.0482 0.00000
257 -0.0205 0.00000
258 0.0316 0.00000
259 0.1086 0.00000
260 0.0518 0.00000
261 0.1955 0.00000
262 -0.0050 0.00000
263 0.0529 0.00000
264 0.0076 0.00000
265 0.0354 0.00000
266 -0.0049 0.00000
267 -0.0399 0.00000
268 0.1098 0.00000
269 0.0451 0.00000
270 -0.0916 0.00000
271 -0.0366 0.00000
272 -0.0423 0.00000
273 0.0738 0.00000
274 0.0498 0.00000
275 0.0783 0.00000
276 0.0753 0.00000
277 0.0136 0.00000
278 0.0095 0.00000
279 -0.0103 0.00000
280 -0.0535 0.00000
281 0.0299 0.00000
282 0.0078 0.00000
283 -0.0335 0.00000
284 0.0947 0.00000
285 -0.0345 0.00000
286 0.0559 0.00000
287 -0.0505 0.00000
288 0.0137 0.00000
289 0.1106 0.00000
290 0.0096 0.00000
291 0.1149 0.00000
292 0.0693 0.00000
293 0.0856 0.00000
294 0.0800 0.00000
295 0.1842 0.00000
296 0.0428 0.00000
297 0.0093 0.00000
298 0.0485 0.00000
299 0.0115 0.00000
300 0.0633 0.00000
301 0.1345 0.00000
302 0.1786 0.00000
303 0.0935 0.00000
304 0.0574 0.00000
305 0.3386 0.00000
306 0.0086 0.00000
307 0.1507 0.00000
308 0.0550 0.00000
309 0.1339 0.00000
310 -0.0471 0.00000
311 0.1770 0.00000
312 -0.0234 0.00000
313 0.1774 0.00000
314 0.0637 0.00000
315 -0.0444 0.00000
316 0.0132 0.00000
317 -0.0309 0.00000
318 -0.0502 0.00000
319 0.0760 0.00000
320 -0.0563 0.00000
321 0.0473 0.00000
322 0.0117 0.00000
323 -0.0563 0.00000
324 -0.0511 0.00000
325 -0.1705 0.00000
326 -0.1390 0.00000
327 -0.0049 0.00000
328 0.0288 0.00000
329 -0.0668 0.00000
330 0.0123 0.00000
331 0.0054 0.00000
332 0.0518 0.00000
333 -0.0549 0.00000
334 0.0560 0.00000
335 -0.0935 0.00000
336 -0.0372 0.00000
337 -0.1650 0.00000
338 -0.0485 0.00000
339 -0.0688 0.00000
340 -0.0139 0.00000
341 0.0078 0.00000
342 -0.0130 0.00000
343 -0.0678 0.00000
344 0.0649 0.00000
345 0.0434 0.00000
346 -0.0316 0.00000
347 0.0240 0.00000
348 0.0827 0.00000
349 0.0532 0.00000
350 0.0073 0.00000
351 0.0160 0.00000
352 0.0020 0.00000
353 -0.0105 0.00000
354 -0.1293 0.00000
355 -0.0384 0.00000
356 -0.0211 0.00000
357 -0.0006 0.00000
358 -0.0143 0.00000
359 -0.1117 0.00000
360 -0.0236 0.00000
361 -0.0039 0.00000
362 -0.0919 0.00000
363 0.0119 0.00000
364 -0.0020 0.00000
365 -0.1766 0.00000
366 0.0288 0.00000
367 -0.2002 0.00000
368 -0.0398 0.00000
369 -0.0465 0.00000
370 0.0499 0.00000
371 -0.0658 0.00000
372 0.0012 0.00000
373 -0.0161 0.00000
374 0.0582 0.00000
375 0.0142 0.00000
376 -0.0862 0.00000
377 -0.0498 0.00000
378 -0.1535 0.00000
379 -0.1940 0.00000
380 0.0002 0.00000
381 -0.0761 0.00000
382 0.0212 0.00000
383 -0.0531 0.00000
384 -0.1992 0.00000
385 -0.0860 0.00000
386 -0.3726 0.00000
387 -0.0121 0.00000
388 -0.0402 0.00000
389 -0.0764 0.00000
390 0.0854 0.00000
391 -0.0273 0.00000
392 -0.1201 0.00000
393 -0.0384 0.00000
394 -0.0172 0.00000
395 0.1211 0.00000
396 -0.2684 0.00000
397 0.0021 0.00000
398 -0.0348 0.00000
399 0.0127 0.00000
400 -0.0046 0.00000
401 0.0326 0.00000
402 0.0269 0.00000
403 -0.0073 0.00000
404 -0.0244 0.00000
405 0.0801 0.00000
406 -0.0618 0.00000
407 -0.0570 0.00000
408 0.0350 0.00000
409 0.0124 0.00000
410 -0.0312 0.00000
411 -0.0465 0.00000
412 -0.0058 0.00000
413 0.0048 0.00000
414 0.0278 0.00000
415 -0.0024 0.00000
416 0.1220 0.00000
417 0.2377 0.00000
418 0.0268 0.00000
419 0.1798 0.00000
420 0.0967 0.00000
421 -0.0093 0.00000
422 0.0610 0.00000
423 -0.0205 0.00000
424 -0.0442 0.00000
425 -0.0406 0.00000
426 -0.0853 0.00000
427 -0.0326 0.00000
428 0.0663 0.00000
429 0.0340 0.00000
430 0.2172 0.00000
431 0.0183 0.00000
432 -0.0102 0.00000
433 -0.0176 0.00000
434 -0.0278 0.00000
435 -0.0026 0.00000
436 0.0460 0.00000
437 0.2315 0.00000
438 0.0625 0.00000
439 -0.0120 0.00000
440 -0.0087 0.00000
441 -0.0395 0.00000
442 -0.0063 0.00000
443 0.0101 0.00000
444 0.0021 0.00000
445 -0.0748 0.00000
446 -0.0105 0.00000
447 0.0132 0.00000
448 0.0274 0.00000
449 0.0829 0.00000
450 -0.0406 0.00000
451 -0.3310 0.00000
452 0.0106 0.00000
453 -0.0803 0.00000
454 0.1258 0.00000
455 0.0081 0.00000
456 -0.2667 0.00000
457 -0.0080 0.00000
458 -0.0361 0.00000
459 0.0308 0.00000
460 0.0357 0.00000
461 0.1722 0.00000
462 -0.0103 0.00000
463 0.0774 0.00000
464 -0.0462 0.00000
465 -0.0834 0.00000
466 0.0118 0.00000
467 0.0931 0.00000
468 -0.0228 0.00000
469 -0.0448 0.00000
470 -0.1249 0.00000
471 -0.0029 0.00000
472 -0.0157 0.00000
473 0.0312 0.00000
474 0.0047 0.00000
475 -0.1150 0.00000
476 -0.0117 0.00000
477 -0.0870 0.00000
478 -0.0124 0.00000
479 -0.0561 0.00000
480 0.0250 0.00000
481 -0.0402 0.00000
482 -0.0469 0.00000
483 0.0306 0.00000
484 0.0312 0.00000
485 0.0306 0.00000
486 -0.0309 0.00000
487 0.0653 0.00000
488 0.0250 0.00000
489 -0.0885 0.00000
490 -0.0698 0.00000
491 -0.0016 0.00000
492 0.0510 0.00000
493 -0.0561 0.00000
494 -0.0603 0.00000
495 -0.0631 0.00000
496 -0.0195 0.00000
497 0.1027 0.00000
498 -0.1059 0.00000
499 -0.0270 0.00000
500 -0.0349 0.00000
501 -0.0842 0.00000
502 -0.0160 0.00000
503 -0.0348 0.00000
504 -0.0403 0.00000
505 -0.0214 0.00000
506 -0.0495 0.00000
507 0.0737 0.00000
508 0.0166 0.00000
509 -0.0054 0.00000
510 -0.0461 0.00000
511 -0.0225 0.00000
512 0.0184 0.00000
513 0.0358 0.00000
514 -0.0177 0.00000
515 -0.2580 0.00000
516 -0.1303 0.00000
517 -0.0287 0.00000
518 0.2087 0.00000
519 0.0358 0.00000
520 -0.0307 0.00000
521 0.0138 0.00000
522 -0.0376 0.00000
523 -0.0055 0.00000
524 -0.0444 0.00000
525 -0.1569 0.00000
526 0.0433 0.00000
527 -0.0411 0.00000
528 0.0687 0.00000
529 0.0246 0.00000
530 -0.0338 0.00000
531 -0.0396 0.00000
532 0.0132 0.00000
533 -0.0261 0.00000
534 -0.0991 0.00000
535 0.0968 0.00000
536 0.0094 0.00000
537 0.0678 0.00000
538 0.0054 0.00000
539 0.0185 0.00000
540 -0.0157 0.00000
541 0.0109 0.00000
542 -0.0105 0.00000
543 0.0794 0.00000
544 -0.0120 0.00000
545 0.0658 0.00000
546 -0.0211 0.00000
547 0.0068 0.00000
548 -0.1157 0.00000
549 -0.0690 0.00000
550 0.0589 0.00000
551 0.1770 0.00000
552 -0.0488 0.00000
553 -0.0319 0.00000
554 -0.0040 0.00000
555 0.0618 0.00000
556 0.1480 0.00000
557 0.0293 0.00000
558 0.0214 0.00000
559 0.0117 0.00000
560 0.0232 0.00000
561 -0.1170 0.00000
562 0.0051 0.00000
563 0.0785 0.00000
564 -0.0350 0.00000
565 0.0422 0.00000
566 -0.0211 0.00000
567 0.0041 0.00000
568 -0.0099 0.00000
569 0.0357 0.00000
570 0.1054 0.00000
571 0.0875 0.00000
572 0.1241 0.00000
573 0.1037 0.00000
574 0.0166 0.00000
575 0.0252 0.00000
576 0.0496 0.00000
577 0.1437 0.00000
578 0.0489 0.00000
579 -0.0497 0.00000
580 0.2621 0.00000
581 -0.0438 0.00000
582 0.0637 0.00000
583 -0.0170 0.00000
584 -0.0881 0.00000
585 -0.2368 0.00000
586 -0.0882 0.00000
587 0.0592 0.00000
588 -0.2407 0.00000
589 0.0616 0.00000
590 -0.4580 0.00000
591 -0.1826 0.00000
592 -0.2467 0.00000
593 -0.0929 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0712 0.00000
597 0.0692 0.00000
598 0.0351 0.00000
599 0.1388 0.00000
600 -0.0101 0.00000
601 0.0669 0.00000
602 0.0768 0.00000
603 0.0427 0.00000
604 0.0499 0.00000
605 0.0220 0.00000
606 0.0605 0.00000
607 0.0434 0.00000
608 0.0496 0.00000
609 0.0634 0.00000
610 0.0365 0.00000
611 -0.0295 0.00000
612 -0.0228 0.00000
613 -0.2248 0.00000
614 0.0195 0.00000
615 0.1038 0.00000
616 0.0765 0.00000
617 0.0059 0.00000
618 0.0295 0.00000
619 0.1462 0.00000
620 0.0575 0.00000
621 -0.0707 0.00000
622 0.0319 0.00000
623 0.1091 0.00000
624 0.0480 0.00000
625 0.0543 0.00000
626 0.0466 0.00000
627 0.0990 0.00000
628 0.0994 0.00000
629 -0.0123 0.00000
630 0.0229 0.00000
631 0.0759 0.00000
632 0.0660 0.00000
633 -0.0171 0.00000
634 0.0524 0.00000
635 0.0234 0.00000
636 0.0468 0.00000
637 0.0899 0.00000
638 0.0161 0.00000
639 0.1006 0.00000
640 -0.0388 0.00000
641 0.0511 0.00000
642 0.0289 0.00000
643 0.0124 0.00000
644 0.0376 0.00000
645 0.0669 0.00000
646 0.0326 0.00000
647 0.0473 0.00000
648 -0.0223 0.00000
649 -0.0204 0.00000
650 0.0193 0.00000
651 -0.0450 0.00000
652 0.0366 0.00000
653 0.0137 0.00000
654 -0.0241 0.00000
655 0.0355 0.00000
656 0.0057 0.00000
657 0.0595 0.00000
658 0.0361 0.00000
659 0.0131 0.00000
660 -0.0316 0.00000
661 0.0167 0.00000
662 0.0173 0.00000
663 -0.0217 0.00000
664 0.0229 0.00000
665 -0.0227 0.00000
666 0.0332 0.00000
667 -0.0358 0.00000
668 -0.0082 0.00000
669 0.0045 0.00000
670 0.0450 0.00000
671 -0.0193 0.00000
672 0.0302 0.00000
673 -0.0429 0.00000
674 0.1063 0.00000
675 0.0699 0.00000
676 0.0579 0.00000
677 0.0178 0.00000
678 0.0217 0.00000
679 0.0956 0.00000
680 0.0061 0.00000
681 0.1060 0.00000
682 -0.0083 0.00000
683 0.0225 0.00000
684 0.0620 0.00000
685 -0.0265 0.00000
686 -0.0049 0.00000
687 0.0191 0.00000
688 0.0636 0.00000
689 -0.0211 0.00000
690 0.0378 0.00000
691 0.0330 0.00000
692 0.0598 0.00000
693 -0.0549 0.00000
694 -0.0296 0.00000
695 0.0816 0.00000
696 -0.0056 0.00000
697 -0.0538 0.00000
698 0.0357 0.00000
699 -0.0492 0.00000
700 0.0072 0.00000
701 0.0659 0.00000
702 -0.0048 0.00000
703 0.0036 0.00000
704 -0.0120 0.00000
705 0.0812 0.00000
706 -0.0693 0.00000
707 0.0114 0.00000
708 0.0593 0.00000
709 0.0234 0.00000
710 -0.0435 0.00000
711 0.0322 0.00000
712 0.0259 0.00000
713 0.0144 0.00000
714 0.0500 0.00000
715 0.0137 0.00000
716 -0.0258 0.00000
717 0.0294 0.00000
718 -0.0150 0.00000
719 -0.1035 0.00000
720 0.1106 0.00000
721 -0.0038 0.00000
722 -0.0212 0.00000
723 -0.0771 0.00000
724 0.0076 0.00000
725 -0.0369 0.00000
726 0.0337 0.00000
727 -0.0145 0.00000
728 -0.0353 0.00000
729 0.0208 0.00000
730 -0.0315 0.00000
731 -0.0064 0.00000
732 -0.0182 0.00000
733 0.0462 0.00000
734 0.0657 0.00000
735 -0.0588 0.00000
736 -0.0253 0.00000
737 0.0832 0.00000
738 0.0730 0.00000
739 0.0466 0.00000
740 -0.0041 0.00000
741 0.0255 0.00000
742 0.0927 0.00000
743 -0.0128 0.00000
744 0.0524 0.00000
745 0.0526 0.00000
746 0.0025 0.00000
747 0.0054 0.00000
748 0.0705 0.00000
749 -0.0579 0.00000
750 0.0427 0.00000
751 0.0261 0.00000
752 -0.0051 0.00000
753 0.0447 0.00000
754 0.0700 0.00000
755 0.0551 0.00000
756 -0.0279 0.00000
757 -0.0077 0.00000
758 -0.0136 0.00000
759 0.0439 0.00000
760 0.0235 0.00000
761 -0.0406 0.00000
762 0.0047 0.00000
763 0.0271 0.00000
764 0.0205 0.00000
765 -0.0240 0.00000
766 -0.0213 0.00000
767 -0.0490 0.00000
768 -0.0881 0.00000
769 0.0448 0.00000
770 -0.0401 0.00000
771 -0.0294 0.00000
772 0.0242 0.00000
773 0.0116 0.00000
774 -0.0091 0.00000
775 -0.0423 0.00000
776 -0.1046 0.00000
777 0.0031 0.00000
778 -0.0255 0.00000
779 -0.0032 0.00000
780 0.0079 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0141 0.00000
5 -0.0377 0.00000
6 0.0152 0.00000
7 -0.0097 0.00000
8 -0.0465 0.00000
9 -0.0312 0.00000
10 -0.0237 0.00000
11 -0.0212 0.00000
12 0.0637 0.00000
13 -0.1165 0.00000
14 0.0535 0.00000
15 -0.0081 0.00000
16 0.1812 0.00000
17 -0.0450 0.00000
18 0.0022 0.00000
19 0.0601 0.00000
20 0.0590 0.00000
21 -0.0255 0.00000
22 0.0339 0.00000
23 -0.1030 0.00000
24 0.1167 0.00000
25 -0.1151 0.00000
26 -0.0285 0.00000
27 -0.1208 0.00000
28 -0.0030 0.00000
29 -0.0059 0.00000
30 -0.2221 0.00000
31 0.0877 0.00000
32 0.0695 0.00000
33 -0.0675 0.00000
34 0.0484 0.00000
35 -0.0470 0.00000
36 0.1164 0.00000
37 0.0210 0.00000
38 -0.0555 0.00000
39 0.1108 0.00000
40 0.0490 0.00000
41 -0.0750 0.00000
42 0.0201 0.00000
43 0.0525 0.00000
44 -0.5867 0.00000
45 0.0681 0.00000
46 0.1006 0.00000
47 0.1372 0.00000
48 0.0164 0.00000
49 -0.0512 0.00000
50 0.0695 0.00000
51 0.0857 0.00000
52 0.0154 0.00000
53 -0.0226 0.00000
54 0.0059 0.00000
55 -0.0205 0.00000
56 0.0031 0.00000
57 0.0294 0.00000
58 -0.0660 0.00000
59 -0.6652 0.00000
60 0.0319 0.00000
61 -0.0180 0.00000
62 0.9996 0.00000
63 0.0302 0.00000
64 0.0286 0.00000
65 -0.0284 0.00000
66 0.0942 0.00000
67 0.0234 0.00000
68 -0.0377 0.00000
69 0.0089 0.00000
70 0.0254 0.00000
71 -0.0748 0.00000
72 -0.2226 0.00000
73 -0.0300 0.00000
74 -0.0292 0.00000
75 -0.0746 0.00000
76 0.1959 0.00000
77 0.0699 0.00000
78 -0.0866 0.00000
79 -0.2643 0.00000
80 -0.1518 0.00000
81 -1.1052 0.00000
82 0.3099 0.00000
83 -0.0161 0.00000
84 -0.0228 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0741 0.00000
89 0.0940 0.00000
90 0.0391 0.00000
91 0.0668 0.00000
92 0.0949 0.00000
93 0.0515 0.00000
94 -0.5048 0.00000
95 0.2508 0.00000
96 0.4976 0.00000
97 -0.0024 0.00000
98 -0.0086 0.00000
99 0.0527 0.00000
100 -0.1249 0.00000
101 -0.1333 0.00000
102 0.1281 0.00000
103 -0.0152 0.00000
104 0.3533 0.00000
105 0.0418 0.00000
106 -0.0046 0.00000
107 -0.1749 0.00000
108 0.1397 0.00000
109 0.4435 0.00000
110 0.0458 0.00000
111 0.0199 0.00000
112 0.0160 0.00000
113 0.0303 0.00000
114 0.0367 0.00000
115 -0.0436 0.00000
116 -0.0957 0.00000
117 -0.1173 0.00000
118 0.1801 0.00000
119 -0.0665 0.00000
120 0.0739 0.00000
121 0.1440 0.00000
122 0.0347 0.00000
123 0.3551 0.00000
124 0.5789 0.00000
125 0.0965 0.00000
126 -0.0231 0.00000
127 -0.2500 0.00000
128 -0.0415 0.00000
129 0.6620 0.00000
130 0.0224 0.00000
131 0.0106 0.00000
132 -0.0503 0.00000
133 -0.0676 0.00000
134 0.0285 0.00000
135 -0.0437 0.00000
136 0.0324 0.00000
137 -0.2608 0.00000
138 -0.0845 0.00000
139 0.1002 0.00000
140 -0.0361 0.00000
141 0.0504 0.00000
142 -0.4158 0.00000
143 0.0498 0.00000
144 -0.0429 0.00000
145 -0.1952 0.00000
146 -0.4707 0.00000
147 -0.2841 0.00000
148 0.0560 0.00000
149 -0.0316 0.00000
150 0.0745 0.00000
151 -0.0000 0.00000
152 0.1512 0.00000
153 -0.0056 0.00000
154 -0.0098 0.00000
155 -0.0281 0.00000
156 0.0483 0.00000
157 -0.0369 0.00000
158 -0.0168 0.00000
159 0.0482 0.00000
160 0.0527 0.00000
161 0.0253 0.00000
162 0.0887 0.00000
163 -0.0908 0.00000
164 -0.0260 0.00000
165 0.0082 0.00000
166 -0.1948 0.00000
167 0.0012 0.00000
168 0.0425 0.00000
169 0.0478 0.00000
170 -0.0564 0.00000
171 -0.1883 0.00000
172 0.0463 0.00000
173 -0.0294 0.00000
174 -0.0033 0.00000
175 -0.0007 0.00000
176 0.0197 0.00000
177 -0.0339 0.00000
178 -0.0956 0.00000
179 0.0509 0.00000
180 -0.0733 0.00000
181 0.1610 0.00000
182 -0.0062 0.00000
183 0.0825 0.00000
184 0.0324 0.00000
185 0.2119 0.00000
186 0.0427 0.00000
187 0.0780 0.00000
188 0.0076 0.00000
189 -0.0010 0.00000
190 0.0079 0.00000
191 0.0809 0.00000
192 -0.0459 0.00000
193 0.3017 0.00000
194 0.0662 0.00000
195 -0.1855 0.00000
196 -0.0397 0.00000
197 0.1099 0.00000
198 0.3658 0.00000
199 -0.0521 0.00000
200 0.0840 0.00000
201 -0.1176 0.00000
202 -0.1273 0.00000
203 0.0264 0.00000
204 -0.2282 0.00000
205 -0.0103 0.00000
206 -0.0371 0.00000
207 -0.0483 0.00000
208 -0.0650 0.00000
209 0.0303 0.00000
210 -0.1760 0.00000
211 -0.0448 0.00000
212 -0.1083 0.00000
213 -0.0176 0.00000
214 -0.0416 0.00000
215 0.1163 0.00000
216 0.0062 0.00000
217 0.0015 0.00000
218 0.0463 0.00000
219 0.0593 0.00000
220 -0.0247 0.00000
221 0.0193 0.00000
222 0.0040 0.00000
223 -0.1100 0.00000
224 0.0648 0.00000
225 -0.5063 0.00000
226 -0.3479 0.00000
227 -0.1386 0.00000
228 -0.0236 0.00000
229 -0.1191 0.00000
230 0.1021 0.00000
231 0.0715 0.00000
232 -0.1214 0.00000
233 -0.1229 0.00000
234 0.0039 0.00000
235 0.2204 0.00000
236 0.0385 0.00000
237 0.0489 0.00000
238 0.2807 0.00000
239 0.0180 0.00000
240 0.1050 0.00000
241 0.0811 0.00000
242 0.1297 0.00000
243 0.0428 0.00000
244 -0.0225 0.00000
245 -0.0508 0.00000
246 0.0460 0.00000
247 -0.0326 0.00000
248 0.0093 0.00000
249 0.0435 0.00000
250 0.0538 0.00000
251 0.0230 0.00000
252 -0.0175 0.00000
253 -0.0213 0.00000
254 0.0665 0.00000
255 -0.0142 0.00000
256 0.0759 0.00000
257 0.0837 0.00000
258 -0.0616 0.00000
259 0.0548 0.00000
260 0.3814 0.00000
261 0.0287 0.00000
262 0.0222 0.00000
263 -0.0105 0.00000
264 0.0137 0.00000
265 0.0383 0.00000
266 0.0273 0.00000
267 0.0379 0.00000
268 -0.0187 0.00000
269 -0.0203 0.00000
270 -0.0431 0.00000
271 0.0207 0.00000
272 0.0489 0.00000
273 0.0080 0.00000
274 -0.0290 0.00000
275 0.0321 0.00000
276 0.0705 0.00000
277 0.0364 0.00000
278 0.0515 0.00000
279 0.0558 0.00000
280 -0.0061 0.00000
281 -0.0857 0.00000
282 -0.0464 0.00000
283 -0.0003 0.00000
284 0.0712 0.00000
285 -0.0377 0.00000
286 0.0580 0.00000
287 0.0578 0.00000
288 -0.0085 0.00000
289 -0.0095 0.00000
290 0.1047 0.00000
291 0.0476 0.00000
292 0.0448 0.00000
293 0.0172 0.00000
294 0.0876 0.00000
295 0.1345 0.00000
296 0.0172 0.00000
297 0.1542 0.00000
298 0.1754 0.00000
299 0.1449 0.00000
300 0.1134 0.00000
301 -0.0036 0.00000
302 0.1160 0.00000
303 0.0397 0.00000
304 0.1792 0.00000
305 0.0858 0.00000
306 0.0026 0.00000
307 0.0737 0.00000
308 0.2957 0.00000
309 0.0830 0.00000
310 0.1678 0.00000
311 0.0130 0.00000
312 0.0345 0.00000
313 0.0524 0.00000
314 0.0130 0.00000
315 -0.0594 0.00000
316 0.1116 0.00000
317 -0.0457 0.00000
318 -0.0183 0.00000
319 0.0821 0.00000
320 0.0190 0.00000
321 0.0356 0.00000
322 -0.0995 0.00000
323 -0.0616 0.00000
324 0.0114 0.00000
325 -0.0368 0.00000
326 -0.0374 0.00000
327 -0.0774 0.00000
328 -0.0954 0.00000
329 0.0061 0.00000
330 0.0618 0.00000
331 -0.1630 0.00000
332 0.0194 0.00000
333 -0.0686 0.00000
334 0.0564 0.00000
335 -0.0767 0.00000
336 -0.0188 0.00000
337 0.0221 0.00000
338 0.0045 0.00000
339 -0.1518 0.00000
340 -0.0119 0.00000
341 -0.0674 0.00000
342 0.0053 0.00000
343 -0.0399 0.00000
344 -0.0511 0.00000
345 0.0339 0.00000
346 0.0054 0.00000
347 -0.0396 0.00000
348 0.0612 0.00000
349 0.0196 0.00000
350 -0.0561 0.00000
351 -0.0157 0.00000
352 -0.0691 0.00000
353 -0.0335 0.00000
354 -0.0005 0.00000
355 0.0277 0.00000
356 0.0381 0.00000
357 -0.0560 0.00000
358 0.0170 0.00000
359 0.0126 0.00000
360 -0.1669 0.00000
361 0.0375 0.00000
362 -0.0601 0.00000
363 -0.0819 0.00000
364 -0.0359 0.00000
365 0.0322 0.00000
366 -0.0168 0.00000
367 -0.1256 0.00000
368 0.0074 0.00000
369 -0.0424 0.00000
370 -0.0914 0.00000
371 -0.1506 0.00000
372 0.0145 0.00000
373 -0.0880 0.00000
374 -0.0142 0.00000
375 -0.1039 0.00000
376 0.0309 0.00000
377 -0.0138 0.00000
378 -0.0149 0.00000
379 -0.0539 0.00000
380 -0.0770 0.00000
381 -0.1737 0.00000
382 -0.1552 0.00000
383 0.0186 0.00000
384 -0.2776 0.00000
385 -0.0299 0.00000
386 0.0823 0.00000
387 -0.0048 0.00000
388 -0.1553 0.00000
389 -0.0124 0.00000
390 -0.0193 0.00000
391 -0.1718 0.00000
392 -0.0370 0.00000
393 -0.0797 0.00000
394 -0.1735 0.00000
395 -0.0437 0.00000
396 0.0697 0.00000
397 -0.1093 0.00000
398 -0.0018 0.00000
399 -0.0369 0.00000
400 -0.0262 0.00000
401 -0.0586 0.00000
402 -0.0454 0.00000
403 0.0283 0.00000
404 0.1162 0.00000
405 -0.1043 0.00000
406 0.2340 0.00000
407 0.0033 0.00000
408 0.0766 0.00000
409 0.0207 0.00000
410 0.0212 0.00000
411 -0.0338 0.00000
412 -0.0627 0.00000
413 -0.0038 0.00000
414 0.0657 0.00000
415 -0.0311 0.00000
416 0.0682 0.00000
417 0.1545 0.00000
418 -0.0801 0.00000
419 0.2144 0.00000
420 0.0405 0.00000
421 0.1990 0.00000
422 -0.0403 0.00000
423 -0.0454 0.00000
424 0.0068 0.00000
425 0.0112 0.00000
426 0.0263 0.00000
427 0.0058 0.00000
428 -0.0632 0.00000
429 0.0362 0.00000
430 0.0339 0.00000
431 0.0376 0.00000
432 0.0222 0.00000
433 0.0150 0.00000
434 0.0786 0.00000
435 -0.0379 0.00000
436 0.0702 0.00000
437 0.0723 0.00000
438 0.1156 0.00000
439 -0.0140 0.00000
440 -0.0631 0.00000
441 0.0120 0.00000
442 0.0107 0.00000
443 0.0241 0.00000
444 -0.0046 0.00000
445 0.0511 0.00000
446 -0.0372 0.00000
447 -0.0399 0.00000
448 0.0412 0.00000
449 -0.0077 0.00000
450 -0.2212 0.00000
451 -0.0805 0.00000
452 0.0098 0.00000
453 -0.0550 0.00000
454 0.0380 0.00000
455 0.0942 0.00000
456 -0.1717 0.00000
457 0.1159 0.00000
458 -0.0456 0.00000
459 -0.0625 0.00000
460 -0.0521 0.00000
461 0.0879 0.00000
462 -0.0852 0.00000
463 -0.0084 0.00000
464 -0.1495 0.00000
465 0.0717 0.00000
466 -0.0109 0.00000
467 0.0923 0.00000
468 0.0026 0.00000
469 0.0204 0.00000
470 -0.0469 0.00000
471 -0.1428 0.00000
472 -0.0245 0.00000
473 -0.0791 0.00000
474 0.0159 0.00000
475 -0.0605 0.00000
476 -0.0135 0.00000
477 0.0200 0.00000
478 -0.0557 0.00000
479 -0.0463 0.00000
480 0.0781 0.00000
481 0.1307 0.00000
482 -0.0425 0.00000
483 0.0023 0.00000
484 0.1255 0.00000
485 0.0225 0.00000
486 -0.0828 0.00000
487 -0.1356 0.00000
488 0.0295 0.00000
489 -0.0087 0.00000
490 0.0107 0.00000
491 0.0649 0.00000
492 -0.0014 0.00000
493 -0.0468 0.00000
494 -0.0168 0.00000
495 -0.3182 0.00000
496 -0.0070 0.00000
497 -0.1076 0.00000
498 -0.0192 0.00000
499 0.0481 0.00000
500 -0.0218 0.00000
501 -0.0110 0.00000
502 -0.0553 0.00000
503 -0.0550 0.00000
504 0.0660 0.00000
505 -0.0373 0.00000
506 0.0526 0.00000
507 0.0089 0.00000
508 -0.1090 0.00000
509 -0.0401 0.00000
510 -0.0168 0.00000
511 -0.0372 0.00000
512 0.0052 0.00000
513 0.0282 0.00000
514 0.0273 0.00000
515 0.1441 0.00000
516 0.0073 0.00000
517 -0.0143 0.00000
518 -0.2718 0.00000
519 0.0127 0.00000
520 -0.0088 0.00000
521 -0.0449 0.00000
522 -0.0575 0.00000
523 -0.0463 0.00000
524 -0.0784 0.00000
525 0.0380 0.00000
526 0.0638 0.00000
527 -0.0547 0.00000
528 -0.0442 0.00000
529 0.0106 0.00000
530 0.0562 0.00000
531 0.0101 0.00000
532 0.1705 0.00000
533 -0.0153 0.00000
534 -0.0656 0.00000
535 0.0559 0.00000
536 -0.0704 0.00000
537 -0.0092 0.00000
538 -0.0158 0.00000
539 0.1722 0.00000
540 0.0171 0.00000
541 -0.1087 0.00000
542 -0.0567 0.00000
543 -0.0467 0.00000
544 -0.0387 0.00000
545 -0.0222 0.00000
546 0.0073 0.00000
547 -0.0441 0.00000
548 0.0280 0.00000
549 0.0609 0.00000
550 0.0574 0.00000
551 0.0441 0.00000
552 0.0411 0.00000
553 -0.0357 0.00000
554 -0.0143 0.00000
555 -0.0311 0.00000
556 0.0080 0.00000
557 0.0319 0.00000
558 0.0991 0.00000
559 -0.0345 0.00000
560 0.1285 0.00000
561 -0.0060 0.00000
562 -0.0505 0.00000
563 -0.0502 0.00000
564 0.1652 0.00000
565 0.0163 0.00000
566 -0.0270 0.00000
567 0.0099 0.00000
568 0.0985 0.00000
569 0.0923 0.00000
570 -0.0192 0.00000
571 0.0449 0.00000
572 0.1527 0.00000
573 0.0519 0.00000
574 -0.0150 0.00000
575 0.0366 0.00000
576 0.0576 0.00000
577 0.0616 0.00000
578 -0.0240 0.00000
579 0.1477 0.00000
580 0.1421 0.00000
581 -0.1536 0.00000
582 0.2875 0.00000
583 0.0211 0.00000
584 -0.0878 0.00000
585 -0.2681 0.00000
586 -0.1041 0.00000
587 0.0346 0.00000
588 -0.2126 0.00000
589 0.0579 0.00000
590 -0.4616 0.00000
591 -0.2033 0.00000
592 -0.2289 0.00000
593 -0.0922 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0712 0.00000
597 0.0692 0.00000
598 0.0312 0.00000
599 0.1207 0.00000
600 0.0503 0.00000
601 0.0480 0.00000
602 0.0420 0.00000
603 -0.0039 0.00000
604 0.0605 0.00000
605 0.0660 0.00000
606 0.0549 0.00000
607 0.0119 0.00000
608 0.0487 0.00000
609 0.0426 0.00000
610 0.0148 0.00000
611 -0.2007 0.00000
612 0.0834 0.00000
613 0.1185 0.00000
614 0.0288 0.00000
615 -0.0365 0.00000
616 0.0394 0.00000
617 0.1102 0.00000
618 0.0107 0.00000
619 0.1117 0.00000
620 -0.0255 0.00000
621 0.1473 0.00000
622 0.0166 0.00000
623 -0.0431 0.00000
624 0.0615 0.00000
625 0.0002 0.00000
626 0.0765 0.00000
627 0.1168 0.00000
628 0.0083 0.00000
629 0.0432 0.00000
630 0.0390 0.00000
631 0.0517 0.00000
632 0.0432 0.00000
633 -0.0349 0.00000
634 0.0177 0.00000
635 0.0771 0.00000
636 0.1241 0.00000
637 0.0735 0.00000
638 0.0100 0.00000
639 0.0219 0.00000
640 0.0187 0.00000
641 -0.0377 0.00000
642 0.0328 0.00000
643 0.0628 0.00000
644 0.1096 0.00000
645 0.0352 0.00000
646 -0.0122 0.00000
647 -0.1135 0.00000
648 -0.0176 0.00000
649 0.0002 0.00000
650 -0.0072 0.00000
651 0.0792 0.00000
652 0.1258 0.00000
653 -0.0786 0.00000
654 0.0071 0.00000
655 0.0101 0.00000
656 0.0216 0.00000
657 0.0922 0.00000
658 0.0016 0.00000
659 0.0073 0.00000
660 0.0357 0.00000
661 -0.0129 0.00000
662 0.0462 0.00000
663 -0.0690 0.00000
664 0.0822 0.00000
665 0.0076 0.00000
666 0.0641 0.00000
667 -0.0216 0.00000
668 -0.0738 0.00000
669 0.0874 0.00000
670 0.0147 0.00000
671 0.0569 0.00000
672 -0.0490 0.00000
673 0.0593 0.00000
674 0.0305 0.00000
675 -0.0257 0.00000
676 0.0229 0.00000
677 0.0644 0.00000
678 0.0134 0.00000
679 0.0027 0.00000
680 0.0605 0.00000
681 -0.0595 0.00000
682 0.0210 0.00000
683 0.0347 0.00000
684 -0.0961 0.00000
685 0.1433 0.00000
686 -0.0035 0.00000
687 0.0715 0.00000
688 -0.0330 0.00000
689 -0.0009 0.00000
690 0.0365 0.00000
691 -0.0450 0.00000
692 0.0521 0.00000
693 0.0200 0.00000
694 0.0697 0.00000
695 -0.0396 0.00000
696 0.0276 0.00000
697 0.0133 0.00000
698 -0.0107 0.00000
699 0.0563 0.00000
700 0.0583 0.00000
701 0.0257 0.00000
702 0.0586 0.00000
703 -0.0001 0.00000
704 -0.0664 0.00000
705 0.0013 0.00000
706 0.0272 0.00000
707 0.0102 0.00000
708 -0.0155 0.00000
709 0.0445 0.00000
710 -0.0224 0.00000
711 0.0059 0.00000
712 0.0482 0.00000
713 0.0750 0.00000
714 -0.0368 0.00000
715 0.0874 0.00000
716 -0.0580 0.00000
717 0.0313 0.00000
718 0.0125 0.00000
719 0.0360 0.00000
720 0.0172 0.00000
721 -0.0758 0.00000
722 0.0012 0.00000
723 -0.0986 0.00000
724 0.0140 0.00000
725 0.0601 0.00000
726 0.0309 0.00000
727 0.0578 0.00000
728 0.0720 0.00000
729 0.0867 0.00000
730 -0.0166 0.00000
731 -0.0729 0.00000
732 0.0048 0.00000
733 -0.0177 0.00000
734 -0.0328 0.00000
735 -0.0091 0.00000
736 0.0764 0.00000
737 0.0056 0.00000
738 0.0583 0.00000
739 0.0263 0.00000
740 0.0563 0.00000
741 -0.0129 0.00000
742 0.0876 0.00000
743 -0.0183 0.00000
744 -0.0052 0.00000
745 0.0757 0.00000
746 -0.0165 0.00000
747 -0.0078 0.00000
748 0.0376 0.00000
749 0.0361 0.00000
750 0.0743 0.00000
751 0.0125 0.00000
752 -0.0121 0.00000
753 -0.1080 0.00000
754 -0.0141 0.00000
755 -0.0304 0.00000
756 0.0067 0.00000
757 -0.0079 0.00000
758 0.0704 0.00000
759 -0.0440 0.00000
760 0.0037 0.00000
761 -0.0157 0.00000
762 -0.0976 0.00000
763 -0.0295 0.00000
764 -0.0909 0.00000
765 0.0507 0.00000
766 -0.0022 0.00000
767 -0.0014 0.00000
768 -0.0098 0.00000
769 0.0036 0.00000
770 0.0050 0.00000
771 0.0027 0.00000
772 0.0574 0.00000
773 -0.0770 0.00000
774 0.0608 0.00000
775 -0.0129 0.00000
776 0.0758 0.00000
777 -0.0328 0.00000
778 -0.0055 0.00000
779 0.0319 0.00000
780 -0.0337 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0140 0.00000
5 -0.0378 0.00000
6 0.0153 0.00000
7 -0.0096 0.00000
8 -0.0466 0.00000
9 -0.0309 0.00000
10 -0.0224 0.00000
11 -0.0212 0.00000
12 0.0623 0.00000
13 -0.1178 0.00000
14 0.0550 0.00000
15 -0.0084 0.00000
16 0.2020 0.00000
17 -0.0161 0.00000
18 -0.0506 0.00000
19 0.0606 0.00000
20 0.0649 0.00000
21 -0.0253 0.00000
22 0.0362 0.00000
23 -0.0970 0.00000
24 0.0330 0.00000
25 -0.0017 0.00000
26 -0.1853 0.00000
27 -0.0072 0.00000
28 -0.0438 0.00000
29 -0.0293 0.00000
30 -0.1731 0.00000
31 0.0917 0.00000
32 0.0867 0.00000
33 -0.0310 0.00000
34 0.0138 0.00000
35 -0.0451 0.00000
36 0.0893 0.00000
37 0.0821 0.00000
38 -0.0872 0.00000
39 0.0490 0.00000
40 0.1150 0.00000
41 -0.0790 0.00000
42 -0.0544 0.00000
43 0.0493 0.00000
44 -0.0362 0.00000
45 -0.4233 0.00000
46 0.1832 0.00000
47 0.0519 0.00000
48 0.0545 0.00000
49 0.0096 0.00000
50 -0.0362 0.00000
51 0.0849 0.00000
52 0.0430 0.00000
53 -0.0252 0.00000
54 -0.0375 0.00000
55 0.0128 0.00000
56 -0.0696 0.00000
57 0.0290 0.00000
58 -0.0577 0.00000
59 0.0085 0.00000
60 -0.7536 0.00000
61 0.5301 0.00000
62 0.0488 0.00000
63 0.3933 0.00000
64 0.3106 0.00000
65 0.0187 0.00000
66 -0.0364 0.00000
67 0.0030 0.00000
68 0.0154 0.00000
69 0.0042 0.00000
70 -0.0742 0.00000
71 0.0134 0.00000
72 -0.2222 0.00000
73 -0.0295 0.00000
74 -0.0212 0.00000
75 -0.0697 0.00000
76 0.1801 0.00000
77 0.0795 0.00000
78 -0.0935 0.00000
79 -0.2592 0.00000
80 -0.1516 0.00000
81 -1.1065 0.00000
82 0.3091 0.00000
83 -0.0161 0.00000
84 -0.0228 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0742 0.00000
89 0.0948 0.00000
90 0.0398 0.00000
91 0.0782 0.00000
92 0.0690 0.00000
93 0.0049 0.00000
94 -0.4507 0.00000
95 0.3860 0.00000
96 0.3526 0.00000
97 0.0183 0.00000
98 0.0022 0.00000
99 0.0809 0.00000
100 -0.3149 0.00000
101 -0.0074 0.00000
102 0.1808 0.00000
103 -0.0340 0.00000
104 0.3358 0.00000
105 0.0224 0.00000
106 0.0195 0.00000
107 -0.0496 0.00000
108 0.3586 0.00000
109 0.1672 0.00000
110 -0.1657 0.00000
111 0.1226 0.00000
112 0.0156 0.00000
113 0.0556 0.00000
114 -0.0168 0.00000
115 0.0265 0.00000
116 -0.1148 0.00000
117 -0.1133 0.00000
118 0.1834 0.00000
119 -0.0398 0.00000
120 0.0500 0.00000
121 0.1398 0.00000
122 0.0641 0.00000
123 0.0813 0.00000
124 0.8067 0.00000
125 0.1165 0.00000
126 -0.0299 0.00000
127 -0.2202 0.00000
128 -0.0356 0.00000
129 0.5865 0.00000
130 0.1189 0.00000
131 0.0685 0.00000
132 -0.1941 0.00000
133 -0.0255 0.00000
134 0.0315 0.00000
135 -0.0436 0.00000
136 -0.0132 0.00000
137 -0.1914 0.00000
138 -0.1121 0.00000
139 0.1139 0.00000
140 -0.0320 0.00000
141 0.0477 0.00000
142 -0.4298 0.00000
143 0.0564 0.00000
144 -0.0551 0.00000
145 -0.2014 0.00000
146 -0.4626 0.00000
147 -0.2799 0.00000
148 0.0723 0.00000
149 -0.0511 0.00000
150 0.0685 0.00000
151 0.0846 0.00000
152 0.0053 0.00000
153 0.0531 0.00000
154 0.0026 0.00000
155 0.0703 0.00000
156 -0.0131 0.00000
157 0.0048 0.00000
158 -0.0117 0.00000
159 -0.0111 0.00000
160 -0.0909 0.00000
161 -0.0168 0.00000
162 0.0499 0.00000
163 -0.0243 0.00000
164 0.0580 0.00000
165 0.0165 0.00000
166 -0.1289 0.00000
167 -0.0159 0.00000
168 0.0058 0.00000
169 0.0724 0.00000
170 0.0739 0.00000
171 -0.2647 0.00000
172 0.0295 0.00000
173 0.0641 0.00000
174 0.0487 0.00000
175 -0.0070 0.00000
176 -0.0225 0.00000
177 -0.1431 0.00000
178 0.0148 0.00000
179 -0.2612 0.00000
180 -0.1406 0.00000
181 0.0303 0.00000
182 -0.0029 0.00000
183 0.1138 0.00000
184 0.4371 0.00000
185 0.1335 0.00000
186 0.0427 0.00000
187 0.2212 0.00000
188 -0.0075 0.00000
189 -0.0606 0.00000
190 0.0088 0.00000
191 0.0499 0.00000
192 0.0520 0.00000
193 -0.0370 0.00000
194 0.0208 0.00000
195 0.2053 0.00000
196 -0.0048 0.00000
197 0.0194 0.00000
198 0.3644 0.00000
199 -0.0009 0.00000
200 -0.0338 0.00000
201 -0.1144 0.00000
202 -0.1769 0.00000
203 0.0394 0.00000
204 -0.0191 0.00000
205 -0.1080 0.00000
206 -0.1570 0.00000
207 -0.0435 0.00000
208 -0.0673 0.00000
209 -0.0759 0.00000
210 0.0709 0.00000
211 -0.2129 0.00000
212 -0.1065 0.00000
213 -0.0088 0.00000
214 -0.0008 0.00000
215 0.1253 0.00000
216 0.0252 0.00000
217 0.0356 0.00000
218 0.0122 0.00000
219 -0.0028 0.00000
220 0.0070 0.00000
221 0.0012 0.00000
222 0.0754 0.00000
223 -0.0089 0.00000
224 -0.0550 0.00000
225 -0.7993 0.00000
226 -0.0731 0.00000
227 -0.1052 0.00000
228 -0.0244 0.00000
229 -0.1049 0.00000
230 0.0783 0.00000
231 0.0705 0.00000
232 -0.1270 0.00000
233 -0.1253 0.00000
234 0.0042 0.00000
235 0.1903 0.00000
236 0.0637 0.00000
237 0.1107 0.00000
238 0.1483 0.00000
239 0.0720 0.00000
240 0.0759 0.00000
241 0.1759 0.00000
242 0.0195 0.00000
243 0.0172 0.00000
244 -0.1246 0.00000
245 0.0829 0.00000
246 0.0517 0.00000
247 -0.0377 0.00000
248 0.0623 0.00000
249 0.0516 0.00000
250 0.0523 0.00000
251 0.0250 0.00000
252 -0.1914 0.00000
253 0.2411 0.00000
254 0.0047 0.00000
255 0.0836 0.00000
256 0.0885 0.00000
257 -0.0346 0.00000
258 0.1016 0.00000
259 -0.0270 0.00000
260 -0.0244 0.00000
261 0.1613 0.00000
262 0.0994 0.00000
263 0.0508 0.00000
264 0.1383 0.00000
265 -0.0209 0.00000
266 0.0401 0.00000
267 -0.1704 0.00000
268 0.0480 0.00000
269 -0.1450 0.00000
270 0.0558 0.00000
271 -0.0387 0.00000
272 0.0717 0.00000
273 0.1258 0.00000
274 0.1283 0.00000
275 0.0861 0.00000
276 0.0199 0.00000
277 -0.0500 0.00000
278 -0.0376 0.00000
279 0.0803 0.00000
280 0.0203 0.00000
281 -0.1148 0.00000
282 0.0632 0.00000
283 -0.0254 0.00000
284 -0.0182 0.00000
285 -0.0779 0.00000
286 0.1081 0.00000
287 0.0247 0.00000
288 0.0037 0.00000
289 0.0143 0.00000
290 0.0641 0.00000
291 0.1345 0.00000
292 0.2056 0.00000
293 -0.0750 0.00000
294 0.2079 0.00000
295 0.0283 0.00000
296 0.1014 0.00000
297 0.0996 0.00000
298 -0.0150 0.00000
299 0.2036 0.00000
300 -0.0119 0.00000
301 0.0660 0.00000
302 0.0356 0.00000
303 0.2021 0.00000
304 -0.0377 0.00000
305 0.2997 0.00000
306 0.2294 0.00000
307 0.1119 0.00000
308 0.0433 0.00000
309 0.0086 0.00000
310 0.0946 0.00000
311 0.1280 0.00000
312 0.0077 0.00000
313 0.0376 0.00000
314 -0.1007 0.00000
315 0.0414 0.00000
316 0.0379 0.00000
317 0.1120 0.00000
318 -0.0123 0.00000
319 0.0677 0.00000
320 -0.0241 0.00000
321 -0.0238 0.00000
322 -0.0804 0.00000
323 -0.0453 0.00000
324 0.0708 0.00000
325 -0.1697 0.00000
326 -0.0031 0.00000
327 -0.0512 0.00000
328 -0.0973 0.00000
329 0.0189 0.00000
330 -0.0299 0.00000
331 -0.0100 0.00000
332 -0.0212 0.00000
333 0.0520 0.00000
334 -0.0451 0.00000
335 -0.0042 0.00000
336 -0.1125 0.00000
337 -0.0814 0.00000
338 -0.1164 0.00000
339 0.0322 0.00000
340 -0.0801 0.00000
341 -0.0079 0.00000
342 0.0671 0.00000
343 -0.0809 0.00000
344 -0.0096 0.00000
345 0.0320 0.00000
346 0.0387 0.00000
347 0.0809 0.00000
348 0.0017 0.00000
349 -0.0215 0.00000
350 -0.0044 0.00000
351 -0.0027 0.00000
352 -0.0434 0.00000
353 -0.1515 0.00000
354 0.0622 0.00000
355 -0.0931 0.00000
356 0.0229 0.00000
357 0.0045 0.00000
358 -0.0727 0.00000
359 0.0921 0.00000
360 -0.0392 0.00000
361 -0.0538 0.00000
362 0.0058 0.00000
363 -0.0090 0.00000
364 -0.0626 0.00000
365 -0.1583 0.00000
366 -0.0771 0.00000
367 -0.0948 0.00000
368 -0.0895 0.00000
369 -0.0091 0.00000
370 -0.0462 0.00000
371 -0.0465 0.00000
372 0.0055 0.00000
373 -0.0653 0.00000
374 -0.0058 0.00000
375 -0.0886 0.00000
376 -0.1369 0.00000
377 -0.1986 0.00000
378 0.0241 0.00000
379 -0.0410 0.00000
380 -0.0647 0.00000
381 0.0034 0.00000
382 -0.1008 0.00000
383 -0.0066 0.00000
384 -0.0491 0.00000
385 -0.2468 0.00000
386 -0.0566 0.00000
387 -0.0992 0.00000
388 0.0309 0.00000
389 -0.1654 0.00000
390 0.0540 0.00000
391 0.0164 0.00000
392 -0.0564 0.00000
393 -0.0119 0.00000
394 0.0536 0.00000
395 -0.1339 0.00000
396 -0.0276 0.00000
397 -0.2065 0.00000
398 0.0953 0.00000
399 -0.0189 0.00000
400 0.1013 0.00000
401 -0.0231 0.00000
402 0.0318 0.00000
403 -0.0885 0.00000
404 0.0628 0.00000
405 -0.0996 0.00000
406 -0.0256 0.00000
407 0.0242 0.00000
408 0.0878 0.00000
409 -0.0275 0.00000
410 -0.0696 0.00000
411 -0.0453 0.00000
412 -0.0035 0.00000
413 0.0515 0.00000
414 0.0104 0.00000
415 -0.1128 0.00000
416 0.1981 0.00000
417 0.0479 0.00000
418 0.1597 0.00000
419 0.3114 0.00000
420 -0.0243 0.00000
421 0.0029 0.00000
422 0.0155 0.00000
423 -0.0375 0.00000
424 -0.0041 0.00000
425 -0.0453 0.00000
426 0.0010 0.00000
427 0.0790 0.00000
428 0.0811 0.00000
429 -0.0063 0.00000
430 -0.0112 0.00000
431 -0.0476 0.00000
432 0.0210 0.00000
433 0.0912 0.00000
434 -0.0183 0.00000
435 0.0024 0.00000
436 -0.0033 0.00000
437 0.0570 0.00000
438 0.0284 0.00000
439 -0.0214 0.00000
440 0.0758 0.00000
441 0.0103 0.00000
442 0.0518 0.00000
443 0.0594 0.00000
444 0.0448 0.00000
445 -0.0385 0.00000
446 0.1156 0.00000
447 -0.0182 0.00000
448 -0.1548 0.00000
449 0.0279 0.00000
450 -0.0051 0.00000
451 -0.0459 0.00000
452 0.0526 0.00000
453 -0.1176 0.00000
454 0.0265 0.00000
455 -0.1875 0.00000
456 -0.0019 0.00000
457 -0.0034 0.00000
458 -0.0306 0.00000
459 0.0712 0.00000
460 -0.0737 0.00000
461 -0.0122 0.00000
462 -0.0015 0.00000
463 -0.0834 0.00000
464 -0.0950 0.00000
465 0.0143 0.00000
466 0.0798 0.00000
467 -0.0080 0.00000
468 -0.0529 0.00000
469 0.0060 0.00000
470 -0.0632 0.00000
471 0.0069 0.00000
472 -0.0454 0.00000
473 0.0375 0.00000
474 0.0194 0.00000
475 -0.0350 0.00000
476 -0.1119 0.00000
477 0.0539 0.00000
478 0.0253 0.00000
479 -0.1064 0.00000
480 0.1384 0.00000
481 -0.0088 0.00000
482 0.0096 0.00000
483 -0.0229 0.00000
484 -0.1004 0.00000
485 -0.0867 0.00000
486 0.0743 0.00000
487 -0.0339 0.00000
488 -0.0272 0.00000
489 0.0255 0.00000
490 -0.1240 0.00000
491 0.0748 0.00000
492 -0.0057 0.00000
493 -0.0772 0.00000
494 -0.0272 0.00000
495 0.0659 0.00000
496 0.0312 0.00000
497 -0.1928 0.00000
498 0.0208 0.00000
499 0.0398 0.00000
500 -0.0086 0.00000
501 -0.0871 0.00000
502 -0.0198 0.00000
503 0.0105 0.00000
504 -0.0089 0.00000
505 -0.0412 0.00000
506 -0.0577 0.00000
507 -0.0031 0.00000
508 -0.0205 0.00000
509 0.0076 0.00000
510 0.0172 0.00000
511 0.0003 0.00000
512 -0.1564 0.00000
513 -0.0300 0.00000
514 -0.0276 0.00000
515 -0.0772 0.00000
516 -0.0953 0.00000
517 -0.0399 0.00000
518 -0.0672 0.00000
519 -0.0075 0.00000
520 -0.0074 0.00000
521 0.0020 0.00000
522 0.1212 0.00000
523 0.0880 0.00000
524 -0.0966 0.00000
525 -0.0268 0.00000
526 0.0750 0.00000
527 -0.0046 0.00000
528 -0.0070 0.00000
529 -0.1296 0.00000
530 0.1108 0.00000
531 -0.1049 0.00000
532 0.0954 0.00000
533 -0.1080 0.00000
534 -0.0287 0.00000
535 -0.0173 0.00000
536 0.0137 0.00000
537 -0.0371 0.00000
538 0.0945 0.00000
539 0.0059 0.00000
540 0.0171 0.00000
541 -0.0468 0.00000
542 -0.0043 0.00000
543 0.0515 0.00000
544 0.0502 0.00000
545 -0.0168 0.00000
546 0.0122 0.00000
547 0.0795 0.00000
548 -0.0522 0.00000
549 -0.0401 0.00000
550 0.0950 0.00000
551 0.0085 0.00000
552 0.0313 0.00000
553 0.1097 0.00000
554 -0.0222 0.00000
555 0.0138 0.00000
556 0.0984 0.00000
557 0.0792 0.00000
558 0.0134 0.00000
559 0.0165 0.00000
560 -0.2054 0.00000
561 -0.0740 0.00000
562 0.0483 0.00000
563 0.0151 0.00000
564 0.0049 0.00000
565 0.0387 0.00000
566 0.0165 0.00000
567 0.1724 0.00000
568 0.0682 0.00000
569 -0.0179 0.00000
570 0.0671 0.00000
571 0.0180 0.00000
572 0.0139 0.00000
573 0.0075 0.00000
574 0.0230 0.00000
575 0.0778 0.00000
576 -0.0287 0.00000
577 0.2093 0.00000
578 0.1858 0.00000
579 0.1118 0.00000
580 0.2285 0.00000
581 0.0127 0.00000
582 -0.1261 0.00000
583 -0.0621 0.00000
584 -0.0119 0.00000
585 -0.1162 0.00000
586 -0.2341 0.00000
587 0.0146 0.00000
588 -0.2027 0.00000
589 0.0584 0.00000
590 -0.5797 0.00000
591 -0.0529 0.00000
592 -0.2712 0.00000
593 -0.0818 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0712 0.00000
597 0.0691 0.00000
598 0.0063 0.00000
599 0.1773 0.00000
600 -0.0133 0.00000
601 0.0340 0.00000
602 0.0128 0.00000
603 0.0893 0.00000
604 0.0462 0.00000
605 0.0809 0.00000
606 0.0539 0.00000
607 0.0437 0.00000
608 -0.0269 0.00000
609 0.0730 0.00000
610 0.0145 0.00000
611 0.0141 0.00000
612 -0.0578 0.00000
613 0.0081 0.00000
614 0.0410 0.00000
615 0.0228 0.00000
616 0.0685 0.00000
617 -0.0395 0.00000
618 0.0753 0.00000
619 0.0460 0.00000
620 0.0150 0.00000
621 0.0409 0.00000
622 0.0377 0.00000
623 -0.0011 0.00000
624 0.0759 0.00000
625 0.0574 0.00000
626 0.0024 0.00000
627 0.0897 0.00000
628 0.0931 0.00000
629 0.0409 0.00000
630 0.1027 0.00000
631 0.0893 0.00000
632 0.0031 0.00000
633 -0.0136 0.00000
634 -0.0160 0.00000
635 0.0764 0.00000
636 0.0748 0.00000
637 -0.0609 0.00000
638 -0.0050 0.00000
639 0.0018 0.00000
640 0.0346 0.00000
641 0.0518 0.00000
642 0.1005 0.00000
643 0.0853 0.00000
644 0.0153 0.00000
645 0.0704 0.00000
646 0.0303 0.00000
647 0.0370 0.00000
648 0.0099 0.00000
649 -0.0225 0.00000
650 0.0617 0.00000
651 0.0737 0.00000
652 0.0197 0.00000
653 0.0639 0.00000
654 -0.0095 0.00000
655 -0.0215 0.00000
656 0.0274 0.00000
657 0.0005 0.00000
658 0.0190 0.00000
659 -0.0075 0.00000
660 -0.0738 0.00000
661 0.0214 0.00000
662 -0.0151 0.00000
663 -0.0056 0.00000
664 -0.0265 0.00000
665 0.0474 0.00000
666 0.1204 0.00000
667 -0.0402 0.00000
668 -0.0525 0.00000
669 0.0596 0.00000
670 -0.0019 0.00000
671 0.0361 0.00000
672 -0.0099 0.00000
673 -0.0318 0.00000
674 0.0199 0.00000
675 0.0473 0.00000
676 0.0088 0.00000
677 0.1315 0.00000
678 -0.0177 0.00000
679 0.0804 0.00000
680 0.0260 0.00000
681 -0.0111 0.00000
682 0.0253 0.00000
683 0.0429 0.00000
684 -0.0081 0.00000
685 0.0775 0.00000
686 0.0059 0.00000
687 0.0186 0.00000
688 0.0552 0.00000
689 -0.0179 0.00000
690 0.1103 0.00000
691 0.0590 0.00000
692 0.0091 0.00000
693 -0.0110 0.00000
694 -0.0416 0.00000
695 -0.0682 0.00000
696 0.0392 0.00000
697 0.0163 0.00000
698 0.0624 0.00000
699 0.0385 0.00000
700 -0.0567 0.00000
701 0.0220 0.00000
702 0.0172 0.00000
703 -0.0150 0.00000
704 0.0087 0.00000
705 0.0030 0.00000
706 0.0180 0.00000
707 0.0069 0.00000
708 0.0036 0.00000
709 0.0380 0.00000
710 -0.1071 0.00000
711 -0.0698 0.00000
712 -0.0102 0.00000
713 -0.0148 0.00000
714 0.0308 0.00000
715 0.0264 0.00000
716 0.0280 0.00000
717 -0.0060 0.00000
718 -0.0587 0.00000
719 0.0584 0.00000
720 0.0207 0.00000
721 0.1257 0.00000
722 0.0161 0.00000
723 -0.0054 0.00000
724 -0.0063 0.00000
725 0.0293 0.00000
726 0.0419 0.00000
727 -0.0135 0.00000
728 -0.0015 0.00000
729 -0.0054 0.00000
730 0.0545 0.00000
731 0.0091 0.00000
732 -0.0198 0.00000
733 0.0272 0.00000
734 -0.0193 0.00000
735 0.0175 0.00000
736 0.0097 0.00000
737 -0.0066 0.00000
738 -0.0268 0.00000
739 0.0172 0.00000
740 -0.0385 0.00000
741 0.0491 0.00000
742 0.0366 0.00000
743 0.0439 0.00000
744 -0.0321 0.00000
745 0.0790 0.00000
746 -0.0357 0.00000
747 0.0062 0.00000
748 0.0309 0.00000
749 0.0728 0.00000
750 -0.0155 0.00000
751 -0.0636 0.00000
752 -0.0034 0.00000
753 0.0105 0.00000
754 0.0195 0.00000
755 0.0458 0.00000
756 0.0229 0.00000
757 -0.0214 0.00000
758 -0.0045 0.00000
759 0.0237 0.00000
760 -0.0407 0.00000
761 0.0099 0.00000
762 -0.0222 0.00000
763 0.0240 0.00000
764 0.0585 0.00000
765 0.0217 0.00000
766 0.0008 0.00000
767 -0.0873 0.00000
768 0.0588 0.00000
769 -0.0084 0.00000
770 0.0003 0.00000
771 -0.0161 0.00000
772 0.0117 0.00000
773 0.0142 0.00000
774 -0.0355 0.00000
775 -0.0009 0.00000
776 -0.0336 0.00000
777 -0.0167 0.00000
778 -0.1223 0.00000
779 -0.0193 0.00000
780 -0.0325 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0144 0.00000
5 -0.0374 0.00000
6 0.0153 0.00000
7 -0.0098 0.00000
8 -0.0467 0.00000
9 -0.0310 0.00000
10 -0.0237 0.00000
11 -0.0212 0.00000
12 0.0638 0.00000
13 -0.1176 0.00000
14 0.0546 0.00000
15 -0.0081 0.00000
16 0.2035 0.00000
17 -0.0432 0.00000
18 -0.0211 0.00000
19 0.0626 0.00000
20 0.0614 0.00000
21 -0.0254 0.00000
22 0.0347 0.00000
23 -0.1068 0.00000
24 0.0615 0.00000
25 -0.0654 0.00000
26 -0.0437 0.00000
27 -0.1045 0.00000
28 -0.0035 0.00000
29 -0.0070 0.00000
30 -0.2294 0.00000
31 0.1035 0.00000
32 0.0734 0.00000
33 -0.0436 0.00000
34 0.0218 0.00000
35 -0.0503 0.00000
36 0.0776 0.00000
37 0.0978 0.00000
38 -0.0890 0.00000
39 0.0636 0.00000
40 0.0879 0.00000
41 -0.0691 0.00000
42 0.0277 0.00000
43 0.0535 0.00000
44 -0.4389 0.00000
45 -0.0989 0.00000
46 0.1923 0.00000
47 0.0367 0.00000
48 0.0605 0.00000
49 -0.0056 0.00000
50 -0.0295 0.00000
51 0.0963 0.00000
52 0.0400 0.00000
53 -0.0224 0.00000
54 0.0084 0.00000
55 -0.0290 0.00000
56 -0.0787 0.00000
57 0.0291 0.00000
58 -0.0550 0.00000
59 0.0184 0.00000
60 -0.8518 0.00000
61 0.0914 0.00000
62 0.9837 0.00000
63 0.1072 0.00000
64 0.1943 0.00000
65 -0.0410 0.00000
66 0.0321 0.00000
67 0.0175 0.00000
68 -0.0280 0.00000
69 0.0086 0.00000
70 0.0250 0.00000
71 -0.0745 0.00000
72 -0.2224 0.00000
73 -0.0300 0.00000
74 -0.0291 0.00000
75 -0.0732 0.00000
76 0.1925 0.00000
77 0.0737 0.00000
78 -0.0881 0.00000
79 -0.2638 0.00000
80 -0.1485 0.00000
81 -1.1096 0.00000
82 0.3099 0.00000
83 -0.0161 0.00000
84 -0.0227 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0741 0.00000
89 0.0940 0.00000
90 0.0393 0.00000
91 0.0667 0.00000
92 0.0952 0.00000
93 0.0478 0.00000
94 -0.4766 0.00000
95 0.2340 0.00000
96 0.4635 0.00000
97 0.0175 0.00000
98 -0.0429 0.00000
99 0.0768 0.00000
100 -0.1856 0.00000
101 -0.0429 0.00000
102 0.1201 0.00000
103 0.0144 0.00000
104 0.3147 0.00000
105 0.0576 0.00000
106 -0.0050 0.00000
107 -0.1712 0.00000
108 0.2985 0.00000
109 0.2079 0.00000
110 0.0296 0.00000
111 0.0737 0.00000
112 0.0779 0.00000
113 0.0273 0.00000
114 0.0330 0.00000
115 -0.0494 0.00000
116 -0.1360 0.00000
117 -0.1258 0.00000
118 0.2000 0.00000
119 -0.0682 0.00000
120 0.0570 0.00000
121 0.1681 0.00000
122 0.0370 0.00000
123 0.0853 0.00000
124 0.8067 0.00000
125 0.1289 0.00000
126 -0.0038 0.00000
127 -0.2606 0.00000
128 -0.0420 0.00000
129 0.6663 0.00000
130 0.0241 0.00000
131 0.0109 0.00000
132 -0.0595 0.00000
133 -0.0702 0.00000
134 0.0298 0.00000
135 -0.0437 0.00000
136 0.0293 0.00000
137 -0.2613 0.00000
138 -0.0854 0.00000
139 0.1126 0.00000
140 -0.0301 0.00000
141 0.0508 0.00000
142 -0.4213 0.00000
143 0.0498 0.00000
144 -0.0570 0.00000
145 -0.1917 0.00000
146 -0.4681 0.00000
147 -0.2839 0.00000
148 0.0654 0.00000
149 -0.0443 0.00000
150 0.0692 0.00000
151 0.0226 0.00000
152 0.1612 0.00000
153 -0.0036 0.00000
154 -0.0730 0.00000
155 0.0826 0.00000
156 -0.0044 0.00000
157 -0.0291 0.00000
158 -0.0617 0.00000
159 0.0959 0.00000
160 -0.0456 0.00000
161 0.0856 0.00000
162 0.0022 0.00000
163 -0.0334 0.00000
164 -0.0535 0.00000
165 -0.0142 0.00000
166 0.0151 0.00000
167 -0.0871 0.00000
168 -0.0344 0.00000
169 0.0276 0.00000
170 0.1345 0.00000
171 -0.1934 0.00000
172 0.0364 0.00000
173 -0.1338 0.00000
174 -0.0336 0.00000
175 0.0703 0.00000
176 0.0092 0.00000
177 -0.0062 0.00000
178 -0.1849 0.00000
179 -0.0154 0.00000
180 -0.0738 0.00000
181 0.2821 0.00000
182 -0.1411 0.00000
183 0.0073 0.00000
184 0.2010 0.00000
185 0.1818 0.00000
186 0.1832 0.00000
187 0.0397 0.00000
188 0.0224 0.00000
189 -0.0384 0.00000
190 -0.0064 0.00000
191 0.0526 0.00000
192 0.0841 0.00000
193 0.0363 0.00000
194 0.0599 0.00000
195 -0.0788 0.00000
196 -0.0260 0.00000
197 0.0103 0.00000
198 0.4129 0.00000
199 0.0776 0.00000
200 0.0573 0.00000
201 -0.3513 0.00000
202 -0.1094 0.00000
203 0.1025 0.00000
204 -0.0306 0.00000
205 0.0573 0.00000
206 -0.0550 0.00000
207 -0.1849 0.00000
208 -0.1404 0.00000
209 0.0399 0.00000
210 0.0019 0.00000
211 -0.1488 0.00000
212 -0.0974 0.00000
213 -0.0433 0.00000
214 -0.0575 0.00000
215 0.1263 0.00000
216 0.0194 0.00000
217 0.0089 0.00000
218 0.0465 0.00000
219 0.0272 0.00000
220 -0.0222 0.00000
221 0.0472 0.00000
222 0.0192 0.00000
223 -0.1111 0.00000
224 0.1083 0.00000
225 -0.6230 0.00000
226 -0.2947 0.00000
227 -0.1320 0.00000
228 -0.0272 0.00000
229 -0.1221 0.00000
230 0.1035 0.00000
231 0.0718 0.00000
232 -0.1180 0.00000
233 -0.1281 0.00000
234 0.0045 0.00000
235 0.1984 0.00000
236 -0.0250 0.00000
237 0.0810 0.00000
238 0.3977 0.00000
239 -0.0303 0.00000
240 0.0906 0.00000
241 0.0810 0.00000
242 0.1394 0.00000
243 0.0414 0.00000
244 0.0359 0.00000
245 -0.1154 0.00000
246 0.0341 0.00000
247 -0.0153 0.00000
248 -0.0013 0.00000
249 0.0372 0.00000
250 0.0634 0.00000
251 0.0116 0.00000
252 -0.0273 0.00000
253 0.0774 0.00000
254 -0.0717 0.00000
255 0.0303 0.00000
256 0.0013 0.00000
257 0.1224 0.00000
258 0.0886 0.00000
259 0.0414 0.00000
260 0.2366 0.00000
261 0.1069 0.00000
262 -0.0205 0.00000
263 0.0704 0.00000
264 -0.0171 0.00000
265 0.0388 0.00000
266 -0.0302 0.00000
267 0.0562 0.00000
268 0.0557 0.00000
269 0.0274 0.00000
270 -0.1840 0.00000
271 -0.0001 0.00000
272 -0.0041 0.00000
273 0.0855 0.00000
274 0.0102 0.00000
275 0.0119 0.00000
276 0.0279 0.00000
277 0.0870 0.00000
278 -0.0166 0.00000
279 0.0343 0.00000
280 0.0697 0.00000
281 -0.0463 0.00000
282 -0.0640 0.00000
283 0.0177 0.00000
284 0.0527 0.00000
285 -0.0514 0.00000
286 -0.0350 0.00000
287 0.1440 0.00000
288 -0.0093 0.00000
289 0.0312 0.00000
290 0.0514 0.00000
291 0.0528 0.00000
292 0.0345 0.00000
293 0.1473 0.00000
294 -0.0174 0.00000
295 0.1673 0.00000
296 0.1600 0.00000
297 0.0936 0.00000
298 0.0551 0.00000
299 0.0290 0.00000
300 0.1471 0.00000
301 0.0578 0.00000
302 0.2189 0.00000
303 0.0847 0.00000
304 0.0503 0.00000
305 -0.0138 0.00000
306 0.0930 0.00000
307 0.1084 0.00000
308 0.1584 0.00000
309 0.4539 0.00000
310 0.0832 0.00000
311 -0.0263 0.00000
312 -0.0348 0.00000
313 -0.1483 0.00000
314 0.0832 0.00000
315 0.1467 0.00000
316 0.0550 0.00000
317 -0.0430 0.00000
318 -0.0051 0.00000
319 0.0094 0.00000
320 -0.0032 0.00000
321 0.0264 0.00000
322 -0.1071 0.00000
323 -0.0209 0.00000
324 -0.0631 0.00000
325 -0.0866 0.00000
326 -0.0234 0.00000
327 0.0503 0.00000
328 -0.1312 0.00000
329 -0.0267 0.00000
330 0.0426 0.00000
331 -0.0710 0.00000
332 -0.0602 0.00000
333 -0.0016 0.00000
334 -0.0936 0.00000
335 -0.0343 0.00000
336 0.0175 0.00000
337 -0.0139 0.00000
338 -0.0447 0.00000
339 -0.1348 0.00000
340 -0.0000 0.00000
341 0.0100 0.00000
342 0.0642 0.00000
343 -0.0735 0.00000
344 -0.0435 0.00000
345 0.0014 0.00000
346 -0.0239 0.00000
347 0.0709 0.00000
348 -0.0038 0.00000
349 0.0184 0.00000
350 0.0268 0.00000
351 0.0340 0.00000
352 -0.0258 0.00000
353 -0.1037 0.00000
354 -0.0547 0.00000
355 -0.0526 0.00000
356 0.0067 0.00000
357 -0.0371 0.00000
358 0.0502 0.00000
359 0.0364 0.00000
360 -0.0363 0.00000
361 -0.0041 0.00000
362 -0.1628 0.00000
363 -0.0738 0.00000
364 0.0195 0.00000
365 0.0053 0.00000
366 -0.0052 0.00000
367 -0.0603 0.00000
368 -0.0958 0.00000
369 -0.0297 0.00000
370 0.0020 0.00000
371 -0.0570 0.00000
372 -0.1590 0.00000
373 -0.0796 0.00000
374 -0.0025 0.00000
375 -0.1554 0.00000
376 0.0015 0.00000
377 -0.0565 0.00000
378 -0.0941 0.00000
379 -0.1104 0.00000
380 -0.0159 0.00000
381 -0.2850 0.00000
382 -0.0006 0.00000
383 -0.0043 0.00000
384 -0.0309 0.00000
385 -0.0563 0.00000
386 -0.0708 0.00000
387 0.0247 0.00000
388 -0.1569 0.00000
389 0.0944 0.00000
390 -0.1729 0.00000
391 -0.0704 0.00000
392 0.0211 0.00000
393 -0.1081 0.00000
394 -0.0477 0.00000
395 0.0910 0.00000
396 -0.1600 0.00000
397 -0.0970 0.00000
398 -0.0232 0.00000
399 -0.1083 0.00000
400 -0.0105 0.00000
401 -0.0291 0.00000
402 -0.0686 0.00000
403 -0.0003 0.00000
404 -0.0693 0.00000
405 0.2440 0.00000
406 0.0461 0.00000
407 -0.0286 0.00000
408 0.1123 0.00000
409 -0.0047 0.00000
410 0.0389 0.00000
411 0.1711 0.00000
412 -0.0687 0.00000
413 0.0230 0.00000
414 -0.0695 0.00000
415 -0.0461 0.00000
416 -0.0251 0.00000
417 -0.0067 0.00000
418 0.2075 0.00000
419 0.1355 0.00000
420 -0.0493 0.00000
421 0.1269 0.00000
422 -0.0016 0.00000
423 -0.0580 0.00000
424 0.0136 0.00000
425 0.0138 0.00000
426 -0.0163 0.00000
427 -0.0346 0.00000
428 0.0568 0.00000
429 -0.0697 0.00000
430 0.1464 0.00000
431 0.0402 0.00000
432 0.0155 0.00000
433 0.1548 0.00000
434 0.0074 0.00000
435 0.1020 0.00000
436 -0.0008 0.00000
437 0.0122 0.00000
438 0.0221 0.00000
439 -0.0039 0.00000
440 0.0170 0.00000
441 0.1341 0.00000
442 -0.0541 0.00000
443 0.1355 0.00000
444 0.0236 0.00000
445 -0.0286 0.00000
446 -0.0119 0.00000
447 -0.1178 0.00000
448 0.0478 0.00000
449 -0.1492 0.00000
450 0.0234 0.00000
451 -0.0543 0.00000
452 -0.0010 0.00000
453 -0.0439 0.00000
454 -0.0363 0.00000
455 -0.0172 0.00000
456 0.0613 0.00000
457 -0.0065 0.00000
458 -0.0786 0.00000
459 -0.0558 0.00000
460 -0.0221 0.00000
461 -0.0015 0.00000
462 -0.0590 0.00000
463 0.0027 0.00000
464 -0.1475 0.00000
465 -0.0656 0.00000
466 -0.0794 0.00000
467 0.0607 0.00000
468 0.1087 0.00000
469 -0.0914 0.00000
470 -0.0087 0.00000
471 -0.0538 0.00000
472 -0.0333 0.00000
473 0.0437 0.00000
474 -0.1102 0.00000
475 0.0248 0.00000
476 -0.0017 0.00000
477 -0.1756 0.00000
478 0.0810 0.00000
479 0.0270 0.00000
480 -0.0309 0.00000
481 0.0442 0.00000
482 0.0484 0.00000
483 0.2757 0.00000
484 0.0126 0.00000
485 -0.1341 0.00000
486 0.0414 0.00000
487 -0.1014 0.00000
488 0.1032 0.00000
489 -0.0677 0.00000
490 -0.0191 0.00000
491 0.0021 0.00000
492 -0.0296 0.00000
493 0.0448 0.00000
494 -0.0557 0.00000
495 -0.1821 0.00000
496 0.0755 0.00000
497 -0.0369 0.00000
498 0.0001 0.00000
499 -0.1650 0.00000
500 -0.0159 0.00000
501 -0.2033 0.00000
502 0.0308 0.00000
503 0.0249 0.00000
504 -0.0150 0.00000
505 -0.0880 0.00000
506 -0.0382 0.00000
507 0.0099 0.00000
508 -0.0205 0.00000
509 -0.1016 0.00000
510 -0.0857 0.00000
511 0.0026 0.00000
512 0.0282 0.00000
513 0.0751 0.00000
514 -0.0675 0.00000
515 -0.0217 0.00000
516 0.0941 0.00000
517 -0.1211 0.00000
518 -0.1284 0.00000
519 0.0110 0.00000
520 0.0455 0.00000
521 0.0080 0.00000
522 -0.0651 0.00000
523 0.0760 0.00000
524 0.0570 0.00000
525 -0.0828 0.00000
526 -0.0531 0.00000
527 0.0148 0.00000
528 0.0731 0.00000
529 -0.0186 0.00000
530 0.0143 0.00000
531 -0.1338 0.00000
532 0.1923 0.00000
533 -0.0074 0.00000
534 -0.0510 0.00000
535 -0.0091 0.00000
536 0.0010 0.00000
537 -0.0158 0.00000
538 0.0535 0.00000
539 -0.0225 0.00000
540 -0.0003 0.00000
541 0.1105 0.00000
542 -0.0748 0.00000
543 -0.0020 0.00000
544 0.0407 0.00000
545 -0.0786 0.00000
546 -0.1173 0.00000
547 0.0522 0.00000
548 -0.0805 0.00000
549 -0.0002 0.00000
550 0.0746 0.00000
551 0.0892 0.00000
552 0.0182 0.00000
553 0.0211 0.00000
554 0.0722 0.00000
555 0.0454 0.00000
556 -0.0941 0.00000
557 0.1402 0.00000
558 -0.0166 0.00000
559 -0.0380 0.00000
560 0.1496 0.00000
561 0.0191 0.00000
562 -0.0710 0.00000
563 -0.0991 0.00000
564 0.0266 0.00000
565 0.0991 0.00000
566 0.0807 0.00000
567 -0.0012 0.00000
568 0.1342 0.00000
569 -0.0306 0.00000
570 0.0296 0.00000
571 0.0410 0.00000
572 0.0742 0.00000
573 0.1844 0.00000
574 -0.0146 0.00000
575 0.0099 0.00000
576 -0.0210 0.00000
577 0.0747 0.00000
578 -0.1008 0.00000
579 0.3335 0.00000
580 0.0169 0.00000
581 0.1711 0.00000
582 -0.1190 0.00000
583 0.0685 0.00000
584 -0.0722 0.00000
585 -0.1969 0.00000
586 -0.1260 0.00000
587 0.0712 0.00000
588 -0.2502 0.00000
589 0.0620 0.00000
590 -0.4491 0.00000
591 -0.2021 0.00000
592 -0.2353 0.00000
593 -0.0949 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0712 0.00000
597 0.0692 0.00000
598 0.0303 0.00000
599 0.1396 0.00000
600 0.0364 0.00000
601 0.0160 0.00000
602 0.0879 0.00000
603 -0.0087 0.00000
604 0.0233 0.00000
605 0.0512 0.00000
606 0.0714 0.00000
607 0.0476 0.00000
608 0.0569 0.00000
609 0.0160 0.00000
610 0.0543 0.00000
611 -0.1747 0.00000
612 0.0398 0.00000
613 0.0704 0.00000
614 -0.0008 0.00000
615 0.0661 0.00000
616 0.1151 0.00000
617 0.1326 0.00000
618 -0.0688 0.00000
619 -0.0970 0.00000
620 0.0730 0.00000
621 0.1106 0.00000
622 0.0789 0.00000
623 0.0857 0.00000
624 -0.0181 0.00000
625 0.0850 0.00000
626 -0.0047 0.00000
627 0.0474 0.00000
628 0.0711 0.00000
629 0.0356 0.00000
630 -0.0019 0.00000
631 -0.0136 0.00000
632 0.0367 0.00000
633 0.0235 0.00000
634 0.1289 0.00000
635 0.0820 0.00000
636 0.0833 0.00000
637 0.0166 0.00000
638 0.0405 0.00000
639 0.0089 0.00000
640 0.0061 0.00000
641 -0.0262 0.00000
642 0.0468 0.00000
643 0.0569 0.00000
644 0.0513 0.00000
645 0.0547 0.00000
646 -0.0252 0.00000
647 -0.0122 0.00000
648 0.0242 0.00000
649 -0.0233 0.00000
650 0.0592 0.00000
651 -0.0112 0.00000
652 -0.0072 0.00000
653 0.0255 0.00000
654 -0.0322 0.00000
655 0.1240 0.00000
656 -0.0002 0.00000
657 -0.0344 0.00000
658 0.1083 0.00000
659 -0.0371 0.00000
660 0.0338 0.00000
661 0.0892 0.00000
662 -0.0586 0.00000
663 -0.0541 0.00000
664 0.1000 0.00000
665 -0.0323 0.00000
666 0.0513 0.00000
667 -0.0166 0.00000
668 -0.0448 0.00000
669 -0.0435 0.00000
670 0.0530 0.00000
671 0.0446 0.00000
672 0.0626 0.00000
673 0.0627 0.00000
674 -0.0096 0.00000
675 0.0505 0.00000
676 -0.0165 0.00000
677 0.0285 0.00000
678 -0.0091 0.00000
679 0.0167 0.00000
680 -0.0111 0.00000
681 0.0512 0.00000
682 0.0322 0.00000
683 0.0580 0.00000
684 -0.0120 0.00000
685 -0.0129 0.00000
686 0.0451 0.00000
687 0.0471 0.00000
688 0.0621 0.00000
689 0.0609 0.00000
690 -0.0081 0.00000
691 0.0286 0.00000
692 -0.0792 0.00000
693 0.0624 0.00000
694 0.0232 0.00000
695 0.0730 0.00000
696 0.0071 0.00000
697 -0.0245 0.00000
698 0.0526 0.00000
699 0.0331 0.00000
700 -0.0390 0.00000
701 0.0277 0.00000
702 -0.0450 0.00000
703 -0.0445 0.00000
704 -0.0297 0.00000
705 -0.0325 0.00000
706 0.0270 0.00000
707 -0.0235 0.00000
708 0.0529 0.00000
709 0.0060 0.00000
710 -0.0275 0.00000
711 0.0332 0.00000
712 0.0709 0.00000
713 -0.0217 0.00000
714 0.0666 0.00000
715 0.0393 0.00000
716 0.0256 0.00000
717 -0.0165 0.00000
718 0.0402 0.00000
719 0.0331 0.00000
720 -0.0364 0.00000
721 -0.1218 0.00000
722 -0.0019 0.00000
723 0.0152 0.00000
724 0.0080 0.00000
725 0.0316 0.00000
726 0.0326 0.00000
727 0.0253 0.00000
728 0.0969 0.00000
729 -0.0139 0.00000
730 0.0866 0.00000
731 -0.0120 0.00000
732 -0.0569 0.00000
733 0.0215 0.00000
734 -0.0110 0.00000
735 0.0263 0.00000
736 -0.0757 0.00000
737 0.0289 0.00000
738 0.0167 0.00000
739 0.1396 0.00000
740 0.0845 0.00000
741 -0.0189 0.00000
742 0.0045 0.00000
743 0.0279 0.00000
744 0.0344 0.00000
745 0.0062 0.00000
746 0.0076 0.00000
747 0.0004 0.00000
748 0.0321 0.00000
749 -0.0171 0.00000
750 -0.0095 0.00000
751 0.0102 0.00000
752 0.0619 0.00000
753 0.0220 0.00000
754 -0.0443 0.00000
755 -0.0036 0.00000
756 0.0529 0.00000
757 -0.0059 0.00000
758 -0.0006 0.00000
759 0.0174 0.00000
760 -0.0196 0.00000
761 0.0058 0.00000
762 0.0134 0.00000
763 -0.0368 0.00000
764 -0.0520 0.00000
765 -0.0033 0.00000
766 -0.0173 0.00000
767 -0.0139 0.00000
768 -0.0060 0.00000
769 -0.0368 0.00000
770 -0.0293 0.00000
771 -0.0199 0.00000
772 0.0821 0.00000
773 -0.0656 0.00000
774 -0.0421 0.00000
775 -0.0436 0.00000
776 -0.0235 0.00000
777 0.0245 0.00000
778 -0.0453 0.00000
779 -0.0457 0.00000
780 -0.0281 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0137 0.00000
5 -0.0381 0.00000
6 0.0153 0.00000
7 -0.0096 0.00000
8 -0.0466 0.00000
9 -0.0311 0.00000
10 -0.0243 0.00000
11 -0.0212 0.00000
12 0.0641 0.00000
13 -0.1171 0.00000
14 0.0542 0.00000
15 -0.0084 0.00000
16 0.1803 0.00000
17 -0.0450 0.00000
18 0.0044 0.00000
19 0.0514 0.00000
20 0.0668 0.00000
21 -0.0253 0.00000
22 0.0317 0.00000
23 -0.0917 0.00000
24 0.0729 0.00000
25 -0.0475 0.00000
26 -0.0915 0.00000
27 -0.0890 0.00000
28 -0.0279 0.00000
29 -0.0270 0.00000
30 -0.1746 0.00000
31 0.0682 0.00000
32 0.0894 0.00000
33 -0.0759 0.00000
34 0.0521 0.00000
35 -0.0464 0.00000
36 0.1203 0.00000
37 0.0188 0.00000
38 -0.0570 0.00000
39 0.1165 0.00000
40 0.0487 0.00000
41 -0.0776 0.00000
42 -0.0688 0.00000
43 0.0523 0.00000
44 -0.4975 0.00000
45 0.0628 0.00000
46 0.0832 0.00000
47 0.1573 0.00000
48 0.0198 0.00000
49 -0.0179 0.00000
50 0.0514 0.00000
51 0.0844 0.00000
52 -0.0118 0.00000
53 -0.0211 0.00000
54 0.0041 0.00000
55 -0.0059 0.00000
56 -0.0125 0.00000
57 0.0316 0.00000
58 -0.0535 0.00000
59 -0.7220 0.00000
60 -0.0257 0.00000
61 0.5586 0.00000
62 -0.0400 0.00000
63 0.5066 0.00000
64 0.1495 0.00000
65 -0.0478 0.00000
66 0.0672 0.00000
67 0.0201 0.00000
68 0.0007 0.00000
69 0.0040 0.00000
70 -0.0735 0.00000
71 0.0127 0.00000
72 -0.2224 0.00000
73 -0.0291 0.00000
74 -0.0254 0.00000
75 -0.0640 0.00000
76 0.1847 0.00000
77 0.0708 0.00000
78 -0.0827 0.00000
79 -0.2674 0.00000
80 -0.1531 0.00000
81 -1.1052 0.00000
82 0.3093 0.00000
83 -0.0161 0.00000
84 -0.0227 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0742 0.00000
89 0.0949 0.00000
90 0.0399 0.00000
91 0.0740 0.00000
92 0.0745 0.00000
93 0.0132 0.00000
94 -0.4893 0.00000
95 0.3350 0.00000
96 0.4155 0.00000
97 0.0145 0.00000
98 0.0104 0.00000
99 0.0553 0.00000
100 -0.1077 0.00000
101 -0.1656 0.00000
102 0.1497 0.00000
103 -0.0408 0.00000
104 0.3841 0.00000
105 0.0290 0.00000
106 -0.0218 0.00000
107 0.0378 0.00000
108 0.1791 0.00000
109 0.3379 0.00000
110 -0.0560 0.00000
111 0.0030 0.00000
112 0.0091 0.00000
113 0.0489 0.00000
114 -0.0036 0.00000
115 -0.0273 0.00000
116 -0.1629 0.00000
117 -0.0348 0.00000
118 0.1582 0.00000
119 -0.0436 0.00000
120 0.0409 0.00000
121 0.1247 0.00000
122 0.0635 0.00000
123 0.1985 0.00000
124 0.6589 0.00000
125 0.1740 0.00000
126 -0.0418 0.00000
127 -0.2062 0.00000
128 -0.0401 0.00000
129 0.6337 0.00000
130 0.0602 0.00000
131 0.0481 0.00000
132 -0.1884 0.00000
133 -0.0054 0.00000
134 0.0359 0.00000
135 -0.0432 0.00000
136 0.0346 0.00000
137 -0.2484 0.00000
138 -0.0892 0.00000
139 0.0926 0.00000
140 -0.0383 0.00000
141 0.0474 0.00000
142 -0.4267 0.00000
143 0.0599 0.00000
144 -0.0417 0.00000
145 -0.2046 0.00000
146 -0.4651 0.00000
147 -0.2806 0.00000
148 0.0653 0.00000
149 -0.0399 0.00000
150 0.0694 0.00000
151 0.0069 0.00000
152 0.1491 0.00000
153 0.0057 0.00000
154 -0.0136 0.00000
155 -0.0106 0.00000
156 0.0426 0.00000
157 -0.1055 0.00000
158 0.0608 0.00000
159 -0.0332 0.00000
160 0.0940 0.00000
161 0.0080 0.00000
162 0.1184 0.00000
163 -0.0619 0.00000
164 -0.0085 0.00000
165 0.0405 0.00000
166 -0.2993 0.00000
167 0.0580 0.00000
168 -0.0201 0.00000
169 -0.0776 0.00000
170 0.1115 0.00000
171 -0.1525 0.00000
172 0.0099 0.00000
173 -0.0367 0.00000
174 0.0271 0.00000
175 0.0176 0.00000
176 -0.0190 0.00000
177 -0.0750 0.00000
178 -0.0998 0.00000
179 -0.0693 0.00000
180 0.0124 0.00000
181 0.1994 0.00000
182 -0.0372 0.00000
183 0.3222 0.00000
184 0.0757 0.00000
185 -0.0049 0.00000
186 -0.0434 0.00000
187 0.0457 0.00000
188 0.0601 0.00000
189 -0.0346 0.00000
190 -0.0219 0.00000
191 0.0981 0.00000
192 0.0323 0.00000
193 0.0417 0.00000
194 0.3952 0.00000
195 -0.1327 0.00000
196 0.0355 0.00000
197 0.0290 0.00000
198 0.2741 0.00000
199 -0.0301 0.00000
200 -0.0992 0.00000
201 0.3141 0.00000
202 -0.3907 0.00000
203 0.0300 0.00000
204 -0.0118 0.00000
205 -0.1824 0.00000
206 -0.1410 0.00000
207 -0.0463 0.00000
208 -0.0498 0.00000
209 -0.0319 0.00000
210 -0.0244 0.00000
211 -0.1185 0.00000
212 0.0177 0.00000
213 -0.1485 0.00000
214 -0.0113 0.00000
215 0.0694 0.00000
216 0.0407 0.00000
217 0.0592 0.00000
218 0.0007 0.00000
219 0.0324 0.00000
220 0.0244 0.00000
221 -0.0804 0.00000
222 0.0646 0.00000
223 -0.0412 0.00000
224 -0.0162 0.00000
225 -0.7156 0.00000
226 -0.1260 0.00000
227 -0.1054 0.00000
228 -0.0165 0.00000
229 -0.1104 0.00000
230 0.0831 0.00000
231 0.0692 0.00000
232 -0.1350 0.00000
233 -0.1158 0.00000
234 0.0031 0.00000
235 0.2447 0.00000
236 -0.0357 0.00000
237 0.1056 0.00000
238 0.1876 0.00000
239 0.1498 0.00000
240 0.0240 0.00000
241 0.1674 0.00000
242 0.0269 0.00000
243 -0.0396 0.00000
244 -0.0981 0.00000
245 0.1016 0.00000
246 0.0849 0.00000
247 -0.0083 0.00000
248 -0.0111 0.00000
249 0.0545 0.00000
250 0.0674 0.00000
251 -0.0074 0.00000
252 0.0102 0.00000
253 -0.0519 0.00000
254 -0.0566 0.00000
255 0.1406 0.00000
256 0.0626 0.00000
257 0.1282 0.00000
258 -0.0795 0.00000
259 0.0760 0.00000
260 0.3287 0.00000
261 0.0009 0.00000
262 -0.0125 0.00000
263 0.0611 0.00000
264 0.0124 0.00000
265 0.0384 0.00000
266 0.0401 0.00000
267 0.0140 0.00000
268 -0.2050 0.00000
269 0.0421 0.00000
270 -0.0070 0.00000
271 0.0697 0.00000
272 0.0726 0.00000
273 0.0495 0.00000
274 0.0586 0.00000
275 0.0241 0.00000
276 -0.0180 0.00000
277 0.0933 0.00000
278 0.0056 0.00000
279 -0.0804 0.00000
280 -0.0388 0.00000
281 0.0007 0.00000
282 -0.0047 0.00000
283 0.0153 0.00000
284 0.0084 0.00000
285 0.0317 0.00000
286 -0.0492 0.00000
287 -0.0227 0.00000
288 0.0495 0.00000
289 0.0252 0.00000
290 0.0858 0.00000
291 0.1041 0.00000
292 0.1257 0.00000
293 -0.0146 0.00000
294 0.1796 0.00000
295 0.1560 0.00000
296 0.0540 0.00000
297 0.1564 0.00000
298 -0.0162 0.00000
299 0.1276 0.00000
300 0.0563 0.00000
301 0.0113 0.00000
302 0.2042 0.00000
303 0.1661 0.00000
304 0.0857 0.00000
305 0.0305 0.00000
306 0.3425 0.00000
307 0.0663 0.00000
308 -0.0151 0.00000
309 0.0624 0.00000
310 -0.0006 0.00000
311 0.0845 0.00000
312 -0.0064 0.00000
313 -0.0069 0.00000
314 0.2732 0.00000
315 -0.0188 0.00000
316 0.0249 0.00000
317 0.0552 0.00000
318 -0.0330 0.00000
319 0.0579 0.00000
320 0.0070 0.00000
321 0.0334 0.00000
322 -0.1346 0.00000
323 -0.0036 0.00000
324 -0.0040 0.00000
325 -0.0041 0.00000
326 -0.1547 0.00000
327 -0.1824 0.00000
328 -0.0287 0.00000
329 0.0104 0.00000
330 0.0813 0.00000
331 -0.0048 0.00000
332 0.0192 0.00000
333 -0.0242 0.00000
334 0.0324 0.00000
335 -0.1127 0.00000
336 -0.0208 0.00000
337 0.0249 0.00000
338 -0.1739 0.00000
339 -0.0233 0.00000
340 -0.0572 0.00000
341 -0.0542 0.00000
342 -0.0781 0.00000
343 -0.0291 0.00000
344 -0.0017 0.00000
345 0.0342 0.00000
346 0.0104 0.00000
347 0.0096 0.00000
348 0.0084 0.00000
349 0.0248 0.00000
350 -0.0047 0.00000
351 -0.0576 0.00000
352 -0.0479 0.00000
353 -0.0162 0.00000
354 -0.1023 0.00000
355 0.0605 0.00000
356 0.0406 0.00000
357 0.0063 0.00000
358 0.0044 0.00000
359 0.0822 0.00000
360 -0.0105 0.00000
361 -0.1528 0.00000
362 -0.0545 0.00000
363 -0.0546 0.00000
364 -0.0533 0.00000
365 -0.0326 0.00000
366 -0.1918 0.00000
367 0.0092 0.00000
368 -0.0122 0.00000
369 -0.0374 0.00000
370 -0.0760 0.00000
371 -0.0283 0.00000
372 0.0017 0.00000
373 -0.2444 0.00000
374 -0.0502 0.00000
375 -0.0699 0.00000
376 -0.0565 0.00000
377 0.0416 0.00000
378 -0.1874 0.00000
379 0.0011 0.00000
380 0.0213 0.00000
381 -0.0004 0.00000
382 -0.1399 0.00000
383 -0.0499 0.00000
384 -0.1960 0.00000
385 -0.0067 0.00000
386 -0.0090 0.00000
387 -0.1066 0.00000
388 -0.1006 0.00000
389 0.0775 0.00000
390 0.0017 0.00000
391 -0.0485 0.00000
392 -0.1301 0.00000
393 -0.0653 0.00000
394 -0.2938 0.00000
395 -0.0393 0.00000
396 0.0520 0.00000
397 -0.0098 0.00000
398 -0.0512 0.00000
399 -0.0192 0.00000
400 -0.0440 0.00000
401 0.0016 0.00000
402 0.0004 0.00000
403 -0.0717 0.00000
404 0.0265 0.00000
405 -0.0090 0.00000
406 0.1147 0.00000
407 0.2142 0.00000
408 -0.0277 0.00000
409 -0.0771 0.00000
410 0.1056 0.00000
411 0.0466 0.00000
412 -0.0717 0.00000
413 0.0517 0.00000
414 -0.0215 0.00000
415 -0.0649 0.00000
416 0.0171 0.00000
417 -0.0081 0.00000
418 0.0864 0.00000
419 0.1972 0.00000
420 0.2774 0.00000
421 -0.0897 0.00000
422 0.1929 0.00000
423 -0.0012 0.00000
424 -0.0674 0.00000
425 -0.0585 0.00000
426 -0.0001 0.00000
427 0.0034 0.00000
428 0.0148 0.00000
429 -0.0064 0.00000
430 0.0544 0.00000
431 0.0121 0.00000
432 -0.0155 0.00000
433 0.0666 0.00000
434 0.0500 0.00000
435 -0.0247 0.00000
436 0.0177 0.00000
437 0.0080 0.00000
438 -0.0176 0.00000
439 0.0536 0.00000
440 -0.0045 0.00000
441 0.0462 0.00000
442 0.0635 0.00000
443 0.0377 0.00000
444 0.0724 0.00000
445 -0.0935 0.00000
446 0.0366 0.00000
447 0.0397 0.00000
448 -0.0132 0.00000
449 0.0566 0.00000
450 -0.1326 0.00000
451 0.0439 0.00000
452 -0.0818 0.00000
453 -0.1055 0.00000
454 0.0064 0.00000
455 0.0069 0.00000
456 0.0535 0.00000
457 -0.1988 0.00000
458 -0.1714 0.00000
459 -0.1019 0.00000
460 -0.0485 0.00000
461 -0.0172 0.00000
462 0.0073 0.00000
463 0.0704 0.00000
464 -0.0565 0.00000
465 0.0434 0.00000
466 -0.1089 0.00000
467 -0.0959 0.00000
468 0.0821 0.00000
469 0.0262 0.00000
470 -0.0335 0.00000
471 0.0260 0.00000
472 0.0022 0.00000
473 0.0491 0.00000
474 0.0580 0.00000
475 -0.0299 0.00000
476 0.0765 0.00000
477 -0.0551 0.00000
478 0.0307 0.00000
479 -0.0271 0.00000
480 0.0511 0.00000
481 -0.0135 0.00000
482 -0.1037 0.00000
483 0.1021 0.00000
484 -0.0027 0.00000
485 0.0858 0.00000
486 -0.0295 0.00000
487 -0.0867 0.00000
488 0.0363 0.00000
489 0.0265 0.00000
490 -0.0057 0.00000
491 0.0351 0.00000
492 -0.3230 0.00000
493 0.0031 0.00000
494 -0.1743 0.00000
495 0.0021 0.00000
496 -0.1225 0.00000
497 -0.0224 0.00000
498 -0.0115 0.00000
499 -0.0603 0.00000
500 0.0305 0.00000
501 0.0425 0.00000
502 0.0217 0.00000
503 0.0106 0.00000
504 0.0407 0.00000
505 0.0046 0.00000
506 0.0237 0.00000
507 -0.0702 0.00000
508 -0.0242 0.00000
509 -0.1462 0.00000
510 -0.1386 0.00000
511 -0.0813 0.00000
512 0.0212 0.00000
513 0.0154 0.00000
514 0.0742 0.00000
515 -0.0029 0.00000
516 0.0954 0.00000
517 0.0091 0.00000
518 -0.1081 0.00000
519 -0.2128 0.00000
520 -0.0494 0.00000
521 -0.0093 0.00000
522 0.0024 0.00000
523 -0.0421 0.00000
524 -0.0234 0.00000
525 0.0861 0.00000
526 0.0295 0.00000
527 -0.0327 0.00000
528 -0.0634 0.00000
529 0.0291 0.00000
530 -0.0236 0.00000
531 0.0206 0.00000
532 -0.0226 0.00000
533 0.1452 0.00000
534 0.0211 0.00000
535 0.0150 0.00000
536 0.1043 0.00000
537 -0.0088 0.00000
538 -0.2136 0.00000
539 0.1290 0.00000
540 -0.0194 0.00000
541 -0.0365 0.00000
542 0.0268 0.00000
543 -0.0687 0.00000
544 0.0472 0.00000
545 0.0157 0.00000
546 -0.0968 0.00000
547 0.0131 0.00000
548 0.0251 0.00000
549 -0.0064 0.00000
550 0.1262 0.00000
551 -0.0058 0.00000
552 0.0262 0.00000
553 -0.0730 0.00000
554 0.0363 0.00000
555 -0.0428 0.00000
556 0.0635 0.00000
557 0.0432 0.00000
558 0.0492 0.00000
559 0.1788 0.00000
560 0.0132 0.00000
561 -0.1817 0.00000
562 0.1258 0.00000
563 0.0048 0.00000
564 0.1173 0.00000
565 -0.1046 0.00000
566 -0.0290 0.00000
567 -0.0339 0.00000
568 0.1050 0.00000
569 0.0668 0.00000
570 0.1050 0.00000
571 0.0125 0.00000
572 0.0506 0.00000
573 0.0014 0.00000
574 -0.0020 0.00000
575 0.1362 0.00000
576 0.0876 0.00000
577 0.0733 0.00000
578 0.2043 0.00000
579 -0.0127 0.00000
580 0.0977 0.00000
581 0.1056 0.00000
582 -0.0071 0.00000
583 -0.0043 0.00000
584 -0.0930 0.00000
585 -0.2232 0.00000
586 -0.1161 0.00000
587 0.0882 0.00000
588 -0.2616 0.00000
589 0.0611 0.00000
590 -0.6119 0.00000
591 -0.0437 0.00000
592 -0.2636 0.00000
593 -0.0805 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0711 0.00000
597 0.0691 0.00000
598 0.0060 0.00000
599 0.1915 0.00000
600 0.0162 0.00000
601 0.0425 0.00000
602 0.0219 0.00000
603 0.0329 0.00000
604 0.0640 0.00000
605 0.0359 0.00000
606 -0.0524 0.00000
607 0.0754 0.00000
608 0.0710 0.00000
609 -0.0466 0.00000
610 -0.0190 0.00000
611 0.0153 0.00000
612 0.0459 0.00000
613 0.0603 0.00000
614 0.0274 0.00000
615 0.0990 0.00000
616 0.0424 0.00000
617 0.0021 0.00000
618 -0.0188 0.00000
619 0.1396 0.00000
620 -0.0086 0.00000
621 0.0423 0.00000
622 0.0719 0.00000
623 0.0401 0.00000
624 0.0326 0.00000
625 0.0426 0.00000
626 0.1044 0.00000
627 0.0078 0.00000
628 0.0577 0.00000
629 0.0476 0.00000
630 -0.0160 0.00000
631 0.0626 0.00000
632 0.0792 0.00000
633 0.0567 0.00000
634 0.0817 0.00000
635 -0.0197 0.00000
636 -0.0286 0.00000
637 0.0650 0.00000
638 0.0154 0.00000
639 0.0195 0.00000
640 0.0947 0.00000
641 -0.0402 0.00000
642 0.0331 0.00000
643 0.0154 0.00000
644 0.0448 0.00000
645 0.1145 0.00000
646 0.0484 0.00000
647 -0.0545 0.00000
648 -0.0338 0.00000
649 0.0557 0.00000
650 0.0240 0.00000
651 0.0111 0.00000
652 -0.0247 0.00000
653 0.0070 0.00000
654 0.0406 0.00000
655 0.0339 0.00000
656 0.0539 0.00000
657 -0.0436 0.00000
658 0.1036 0.00000
659 -0.0099 0.00000
660 -0.0023 0.00000
661 0.0530 0.00000
662 0.0042 0.00000
663 0.0966 0.00000
664 -0.0663 0.00000
665 -0.0261 0.00000
666 -0.0474 0.00000
667 -0.0413 0.00000
668 -0.0157 0.00000
669 -0.0564 0.00000
670 0.0224 0.00000
671 0.0459 0.00000
672 0.0877 0.00000
673 0.1272 0.00000
674 0.0914 0.00000
675 -0.0236 0.00000
676 -0.0031 0.00000
677 -0.0066 0.00000
678 -0.0606 0.00000
679 0.0311 0.00000
680 0.0520 0.00000
681 -0.0425 0.00000
682 0.0209 0.00000
683 -0.0189 0.00000
684 0.0685 0.00000
685 0.0008 0.00000
686 0.0743 0.00000
687 -0.0456 0.00000
688 0.0500 0.00000
689 0.0511 0.00000
690 0.0236 0.00000
691 0.0197 0.00000
692 0.0439 0.00000
693 0.0487 0.00000
694 0.0398 0.00000
695 0.0072 0.00000
696 0.0344 0.00000
697 0.0000 0.00000
698 -0.0310 0.00000
699 0.0069 0.00000
700 0.1311 0.00000
701 0.0364 0.00000
702 -0.0142 0.00000
703 0.0184 0.00000
704 -0.0700 0.00000
705 0.0180 0.00000
706 0.0096 0.00000
707 -0.0074 0.00000
708 0.0425 0.00000
709 -0.0021 0.00000
710 -0.0511 0.00000
711 -0.0196 0.00000
712 0.0090 0.00000
713 0.0163 0.00000
714 -0.0236 0.00000
715 0.0600 0.00000
716 0.0687 0.00000
717 0.0179 0.00000
718 -0.0270 0.00000
719 -0.0185 0.00000
720 -0.0411 0.00000
721 0.0344 0.00000
722 0.0453 0.00000
723 0.0244 0.00000
724 -0.0149 0.00000
725 0.0682 0.00000
726 0.0264 0.00000
727 -0.0404 0.00000
728 0.0510 0.00000
729 0.0425 0.00000
730 0.1243 0.00000
731 -0.0513 0.00000
732 -0.0389 0.00000
733 -0.0207 0.00000
734 0.0326 0.00000
735 0.0116 0.00000
736 0.0054 0.00000
737 -0.0212 0.00000
738 -0.0350 0.00000
739 -0.0005 0.00000
740 -0.0336 0.00000
741 -0.0290 0.00000
742 0.0493 0.00000
743 0.0419 0.00000
744 0.0597 0.00000
745 -0.0693 0.00000
746 0.0528 0.00000
747 0.0467 0.00000
748 -0.0125 0.00000
749 -0.0054 0.00000
750 0.0656 0.00000
751 0.0066 0.00000
752 0.0409 0.00000
753 -0.0065 0.00000
754 0.0427 0.00000
755 0.0795 0.00000
756 -0.0275 0.00000
757 -0.0186 0.00000
758 -0.0454 0.00000
759 0.0041 0.00000
760 -0.0515 0.00000
761 0.1228 0.00000
762 0.0065 0.00000
763 -0.0134 0.00000
764 0.0548 0.00000
765 -0.0516 0.00000
766 -0.0279 0.00000
767 0.0343 0.00000
768 -0.0276 0.00000
769 -0.0309 0.00000
770 0.0315 0.00000
771 -0.0283 0.00000
772 -0.0348 0.00000
773 0.0121 0.00000
774 -0.0697 0.00000
775 -0.0301 0.00000
776 -0.0332 0.00000
777 -0.0122 0.00000
778 -0.0097 0.00000
779 -0.0049 0.00000
780 -0.0780 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0743 0.00000
2 0.0719 0.00000
3 0.0421 0.00000
4 -0.0139 0.00000
5 -0.0379 0.00000
6 0.0153 0.00000
7 -0.0096 0.00000
8 -0.0467 0.00000
9 -0.0310 0.00000
10 -0.0242 0.00000
11 -0.0212 0.00000
12 0.0642 0.00000
13 -0.1172 0.00000
14 0.0543 0.00000
15 -0.0084 0.00000
16 0.2042 0.00000
17 -0.0424 0.00000
18 -0.0219 0.00000
19 0.0555 0.00000
20 0.0680 0.00000
21 -0.0250 0.00000
22 0.0339 0.00000
23 -0.0973 0.00000
24 0.0168 0.00000
25 0.0043 0.00000
26 -0.1199 0.00000
27 -0.0600 0.00000
28 -0.0412 0.00000
29 -0.0275 0.00000
30 -0.1700 0.00000
31 0.0892 0.00000
32 0.0845 0.00000
33 -0.0452 0.00000
34 0.0220 0.00000
35 -0.0496 0.00000
36 0.0822 0.00000
37 0.0953 0.00000
38 -0.0891 0.00000
39 0.0542 0.00000
40 0.1023 0.00000
41 -0.0732 0.00000
42 -0.0470 0.00000
43 0.0533 0.00000
44 -0.1289 0.00000
45 -0.3353 0.00000
46 0.1845 0.00000
47 0.0437 0.00000
48 0.0602 0.00000
49 0.0184 0.00000
50 -0.0285 0.00000
51 0.0802 0.00000
52 0.0250 0.00000
53 -0.0219 0.00000
54 -0.0215 0.00000
55 0.0074 0.00000
56 -0.0938 0.00000
57 0.0317 0.00000
58 -0.0526 0.00000
59 0.0191 0.00000
60 -0.8354 0.00000
61 0.0073 0.00000
62 0.8180 0.00000
63 0.2514 0.00000
64 0.2800 0.00000
65 -0.0106 0.00000
66 0.0016 0.00000
67 0.0001 0.00000
68 0.0138 0.00000
69 0.0042 0.00000
70 -0.0742 0.00000
71 0.0126 0.00000
72 -0.2220 0.00000
73 -0.0293 0.00000
74 -0.0254 0.00000
75 -0.0697 0.00000
76 0.1890 0.00000
77 0.0747 0.00000
78 -0.0810 0.00000
79 -0.2709 0.00000
80 -0.1517 0.00000
81 -1.1075 0.00000
82 0.3093 0.00000
83 -0.0161 0.00000
84 -0.0227 0.00000
85 -0.0158 0.00000
86 -0.0307 0.00000
87 -0.0018 0.00000
88 0.0742 0.00000
89 0.0948 0.00000
90 0.0401 0.00000
91 0.0741 0.00000
92 0.0746 0.00000
93 0.0072 0.00000
94 -0.4818 0.00000
95 0.3504 0.00000
96 0.3613 0.00000
97 0.0479 0.00000
98 0.0035 0.00000
99 0.0585 0.00000
100 -0.2201 0.00000
101 -0.0455 0.00000
102 0.1462 0.00000
103 -0.0264 0.00000
104 0.3706 0.00000
105 0.0333 0.00000
106 -0.0096 0.00000
107 0.0415 0.00000
108 0.0812 0.00000
109 0.3551 0.00000
110 -0.0465 0.00000
111 0.0282 0.00000
112 0.0826 0.00000
113 0.0006 0.00000
114 0.0399 0.00000
115 -0.0533 0.00000
116 -0.1737 0.00000
117 -0.0752 0.00000
118 0.1882 0.00000
119 -0.1057 0.00000
120 0.1283 0.00000
121 0.1148 0.00000
122 0.0630 0.00000
123 0.0931 0.00000
124 0.8331 0.00000
125 0.0904 0.00000
126 -0.0183 0.00000
127 -0.2254 0.00000
128 -0.0314 0.00000
129 0.6339 0.00000
130 0.0426 0.00000
131 0.0631 0.00000
132 -0.1916 0.00000
133 -0.0049 0.00000
134 0.0329 0.00000
135 -0.0434 0.00000
136 0.0314 0.00000
137 -0.2471 0.00000
138 -0.0916 0.00000
139 0.1002 0.00000
140 -0.0274 0.00000
141 0.0475 0.00000
142 -0.4291 0.00000
143 0.0571 0.00000
144 -0.0561 0.00000
145 -0.2016 0.00000
146 -0.4617 0.00000
147 -0.2803 0.00000
148 0.0706 0.00000
149 -0.0488 0.00000
150 0.0638 0.00000
151 0.0350 0.00000
152 0.1201 0.00000
153 0.0452 0.00000
154 -0.0734 0.00000
155 0.0612 0.00000
156 -0.0050 0.00000
157 -0.0249 0.00000
158 0.0312 0.00000
159 -0.0445 0.00000
160 0.0591 0.00000
161 -0.0176 0.00000
162 0.0155 0.00000
163 -0.0123 0.00000
164 0.0168 0.00000
165 0.0448 0.00000
166 0.0257 0.00000
167 -0.2736 0.00000
168 0.0251 0.00000
169 0.0700 0.00000
170 -0.0779 0.00000
171 -0.0842 0.00000
172 -0.0096 0.00000
173 0.0392 0.00000
174 -0.0152 0.00000
175 -0.0080 0.00000
176 -0.0231 0.00000
177 0.0213 0.00000
178 -0.3136 0.00000
179 -0.0291 0.00000
180 0.2035 0.00000
181 0.0031 0.00000
182 0.0420 0.00000
183 0.3406 0.00000
184 0.0216 0.00000
185 0.0789 0.00000
186 -0.0076 0.00000
187 0.0400 0.00000
188 0.0758 0.00000
189 -0.0210 0.00000
190 -0.0610 0.00000
191 0.0923 0.00000
192 0.0876 0.00000
193 -0.1166 0.00000
194 0.1513 0.00000
195 0.1886 0.00000
196 -0.0487 0.00000
197 -0.0236 0.00000
198 0.2698 0.00000
199 -0.0317 0.00000
200 0.0652 0.00000
201 0.1253 0.00000
202 -0.4424 0.00000
203 0.0014 0.00000
204 0.2246 0.00000
205 -0.0994 0.00000
206 -0.0596 0.00000
207 -0.1888 0.00000
208 -0.1322 0.00000
209 0.0220 0.00000
210 0.0516 0.00000
211 -0.2376 0.00000
212 -0.0198 0.00000
213 -0.1216 0.00000
214 0.0089 0.00000
215 0.1640 0.00000
216 0.0247 0.00000
217 -0.0218 0.00000
218 0.0174 0.00000
219 0.0252 0.00000
220 -0.0436 0.00000
221 0.0374 0.00000
222 0.0644 0.00000
223 -0.0399 0.00000
224 -0.0939 0.00000
225 -0.7035 0.00000
226 -0.0955 0.00000
227 -0.1111 0.00000
228 -0.0161 0.00000
229 -0.1096 0.00000
230 0.0832 0.00000
231 0.0696 0.00000
232 -0.1314 0.00000
233 -0.1207 0.00000
234 0.0036 0.00000
235 0.2393 0.00000
236 -0.0342 0.00000
237 0.0439 0.00000
238 0.2992 0.00000
239 0.1334 0.00000
240 -0.0021 0.00000
241 0.1703 0.00000
242 0.0174 0.00000
243 0.0122 0.00000
244 -0.1241 0.00000
245 0.0837 0.00000
246 0.0439 0.00000
247 0.0042 0.00000
248 0.0173 0.00000
249 0.0466 0.00000
250 0.0678 0.00000
251 0.0242 0.00000
252 -0.1133 0.00000
253 0.0540 0.00000
254 0.0585 0.00000
255 0.0628 0.00000
256 0.0479 0.00000
257 0.0281 0.00000
258 0.0392 0.00000
259 0.2137 0.00000
260 0.0540 0.00000
261 0.1173 0.00000
262 0.0879 0.00000
263 0.0239 0.00000
264 -0.0191 0.00000
265 -0.0115 0.00000
266 0.0419 0.00000
267 -0.0646 0.00000
268 0.0444 0.00000
269 -0.1777 0.00000
270 0.0410 0.00000
271 0.0089 0.00000
272 0.1082 0.00000
273 0.0542 0.00000
274 0.0273 0.00000
275 0.1015 0.00000
276 0.0130 0.00000
277 -0.0613 0.00000
278 0.0703 0.00000
279 -0.0631 0.00000
280 -0.0047 0.00000
281 0.0263 0.00000
282 -0.0304 0.00000
283 -0.0593 0.00000
284 0.0401 0.00000
285 -0.0104 0.00000
286 -0.0037 0.00000
287 0.0127 0.00000
288 0.0186 0.00000
289 0.0305 0.00000
290 0.0010 0.00000
291 0.1110 0.00000
292 0.1189 0.00000
293 0.2111 0.00000
294 0.2269 0.00000
295 0.1044 0.00000
296 0.0754 0.00000
297 0.0329 0.00000
298 -0.0502 0.00000
299 0.1763 0.00000
300 0.0354 0.00000
301 0.1484 0.00000
302 0.0752 0.00000
303 0.0528 0.00000
304 -0.0223 0.00000
305 0.0282 0.00000
306 0.3573 0.00000
307 0.1863 0.00000
308 0.0389 0.00000
309 0.1391 0.00000
310 -0.0021 0.00000
311 0.1265 0.00000
312 -0.0926 0.00000
313 0.1648 0.00000
314 0.1039 0.00000
315 -0.0353 0.00000
316 -0.0047 0.00000
317 0.0837 0.00000
318 0.0121 0.00000
319 -0.0745 0.00000
320 0.0446 0.00000
321 0.0300 0.00000
322 -0.1062 0.00000
323 -0.0081 0.00000
324 -0.0082 0.00000
325 -0.1310 0.00000
326 -0.0533 0.00000
327 -0.0555 0.00000
328 -0.1115 0.00000
329 -0.0381 0.00000
330 -0.0409 0.00000
331 0.0440 0.00000
332 -0.0080 0.00000
333 0.0242 0.00000
334 0.0176 0.00000
335 -0.0789 0.00000
336 0.0237 0.00000
337 -0.0613 0.00000
338 0.0172 0.00000
339 -0.0303 0.00000
340 -0.2273 0.00000
341 -0.0176 0.00000
342 -0.0040 0.00000
343 -0.0533 0.00000
344 0.0480 0.00000
345 0.0367 0.00000
346 0.0209 0.00000
347 -0.0051 0.00000
348 -0.0111 0.00000
349 0.0148 0.00000
350 -0.0271 0.00000
351 -0.0227 0.00000
352 0.0021 0.00000
353 -0.0782 0.00000
354 -0.0216 0.00000
355 -0.0705 0.00000
356 0.0351 0.00000
357 0.0130 0.00000
358 0.0193 0.00000
359 0.0014 0.00000
360 0.0690 0.00000
361 -0.0932 0.00000
362 -0.0506 0.00000
363 -0.0841 0.00000
364 0.0094 0.00000
365 -0.0872 0.00000
366 0.0299 0.00000
367 -0.2029 0.00000
368 -0.0169 0.00000
369 0.0050 0.00000
370 -0.1344 0.00000
371 0.0412 0.00000
372 -0.1043 0.00000
373 -0.1158 0.00000
374 -0.1403 0.00000
375 -0.0463 0.00000
376 -0.0759 0.00000
377 -0.0530 0.00000
378 -0.0677 0.00000
379 0.0101 0.00000
380 -0.1040 0.00000
381 -0.0953 0.00000
382 -0.1370 0.00000
383 -0.0100 0.00000
384 -0.0408 0.00000
385 -0.0057 0.00000
386 -0.0451 0.00000
387 0.0117 0.00000
388 -0.0500 0.00000
389 -0.0472 0.00000
390 -0.1174 0.00000
391 -0.0183 0.00000
392 -0.0233 0.00000
393 0.0025 0.00000
394 -0.0446 0.00000
395 -0.2210 0.00000
396 -0.1420 0.00000
397 -0.0133 0.00000
398 -0.0447 0.00000
399 0.0054 0.00000
400 -0.0147 0.00000
401 -0.0225 0.00000
402 0.0154 0.00000
403 0.0529 0.00000
404 -0.0555 0.00000
405 0.0164 0.00000
406 0.0291 0.00000
407 -0.0393 0.00000
408 0.2408 0.00000
409 -0.0173 0.00000
410 0.2595 0.00000
411 -0.0474 0.00000
412 -0.0832 0.00000
413 -0.0716 0.00000
414 0.0400 0.00000
415 -0.0610 0.00000
416 0.0451 0.00000
417 -0.0578 0.00000
418 0.0266 0.00000
419 0.0213 0.00000
420 0.0335 0.00000
421 0.0150 0.00000
422 0.2858 0.00000
423 -0.0522 0.00000
424 0.0769 0.00000
425 -0.0526 0.00000
426 0.0139 0.00000
427 -0.0877 0.00000
428 0.0195 0.00000
429 0.0212 0.00000
430 0.1679 0.00000
431 -0.0254 0.00000
432 0.0807 0.00000
433 0.0199 0.00000
434 -0.0298 0.00000
435 0.1055 0.00000
436 0.0443 0.00000
437 0.0028 0.00000
438 0.0771 0.00000
439 0.0380 0.00000
440 0.0022 0.00000
441 -0.0226 0.00000
442 0.0665 0.00000
443 0.1344 0.00000
444 -0.0896 0.00000
445 0.0251 0.00000
446 0.0407 0.00000
447 -0.0042 0.00000
448 0.1108 0.00000
449 -0.0797 0.00000
450 -0.0022 0.00000
451 -0.0632 0.00000
452 -0.0838 0.00000
453 -0.0782 0.00000
454 -0.0851 0.00000
455 -0.0180 0.00000
456 -0.1191 0.00000
457 -0.0644 0.00000
458 -0.0492 0.00000
459 0.0301 0.00000
460 -0.1871 0.00000
461 -0.0091 0.00000
462 -0.0531 0.00000
463 -0.1259 0.00000
464 -0.0360 0.00000
465 0.1111 0.00000
466 0.0635 0.00000
467 -0.1836 0.00000
468 0.0271 0.00000
469 -0.0103 0.00000
470 0.1517 0.00000
471 -0.0373 0.00000
472 -0.0133 0.00000
473 0.0096 0.00000
474 0.0185 0.00000
475 -0.0146 0.00000
476 0.1348 0.00000
477 -0.0947 0.00000
478 -0.0369 0.00000
479 0.0244 0.00000
480 -0.0476 0.00000
481 0.0030 0.00000
482 -0.0302 0.00000
483 -0.0048 0.00000
484 0.2798 0.00000
485 -0.0795 0.00000
486 -0.0209 0.00000
487 0.0103 0.00000
488 0.0173 0.00000
489 0.0621 0.00000
490 0.1013 0.00000
491 -0.0598 0.00000
492 -0.2144 0.00000
493 -0.0316 0.00000
494 0.0162 0.00000
495 0.0364 0.00000
496 -0.3218 0.00000
497 -0.1139 0.00000
498 0.0029 0.00000
499 0.0653 0.00000
500 -0.0992 0.00000
501 -0.0040 0.00000
502 -0.0823 0.00000
503 -0.0310 0.00000
504 0.0107 0.00000
505 -0.1520 0.00000
506 0.0413 0.00000
507 -0.0422 0.00000
508 -0.0103 0.00000
509 0.0088 0.00000
510 -0.0091 0.00000
511 -0.0599 0.00000
512 0.0021 0.00000
513 0.0246 0.00000
514 0.0069 0.00000
515 0.0156 0.00000
516 -0.1757 0.00000
517 -0.1567 0.00000
518 0.0027 0.00000
519 -0.0268 0.00000
520 0.0661 0.00000
521 -0.0544 0.00000
522 0.0785 0.00000
523 -0.0119 0.00000
524 -0.0053 0.00000
525 -0.0207 0.00000
526 0.0142 0.00000
527 0.0641 0.00000
528 -0.0028 0.00000
529 0.0250 0.00000
530 0.0358 0.00000
531 -0.0223 0.00000
532 0.0276 0.00000
533 -0.0508 0.00000
534 -0.0475 0.00000
535 0.0325 0.00000
536 0.0094 0.00000
537 0.0424 0.00000
538 -0.1265 0.00000
539 0.0555 0.00000
540 -0.0221 0.00000
541 0.0004 0.00000
542 0.0024 0.00000
543 -0.0262 0.00000
544 0.0433 0.00000
545 0.1620 0.00000
546 0.0304 0.00000
547 -0.1024 0.00000
548 -0.1217 0.00000
549 0.0190 0.00000
550 0.0423 0.00000
551 0.0770 0.00000
552 0.0873 0.00000
553 -0.0420 0.00000
554 -0.0131 0.00000
555 0.0754 0.00000
556 -0.1034 0.00000
557 0.0899 0.00000
558 0.0823 0.00000
559 0.1595 0.00000
560 -0.1007 0.00000
561 -0.0447 0.00000
562 0.0586 0.00000
563 0.0801 0.00000
564 0.0392 0.00000
565 -0.0108 0.00000
566 -0.1145 0.00000
567 -0.0107 0.00000
568 0.0536 0.00000
569 0.1580 0.00000
570 0.0867 0.00000
571 0.0172 0.00000
572 -0.0060 0.00000
573 0.1151 0.00000
574 -0.0754 0.00000
575 -0.0373 0.00000
576 0.0043 0.00000
577 0.2758 0.00000
578 0.2076 0.00000
579 0.2208 0.00000
580 0.0104 0.00000
581 0.0075 0.00000
582 -0.0968 0.00000
583 -0.0308 0.00000
584 -0.0080 0.00000
585 -0.0634 0.00000
586 -0.2766 0.00000
587 0.0746 0.00000
588 -0.2493 0.00000
589 0.0603 0.00000
590 -0.5940 0.00000
591 -0.0454 0.00000
592 -0.2668 0.00000
593 -0.0829 0.00000
594 -0.0028 0.00000
595 -0.0022 0.00000
596 0.0712 0.00000
597 0.0691 0.00000
598 0.0053 0.00000
599 0.1883 0.00000
600 0.0046 0.00000
601 0.0554 0.00000
602 0.0284 0.00000
603 0.0501 0.00000
604 0.0514 0.00000
605 -0.0937 0.00000
606 0.0531 0.00000
607 0.0631 0.00000
608 0.0545 0.00000
609 0.0222 0.00000
610 0.0913 0.00000
611 -0.0300 0.00000
612 0.0086 0.00000
613 0.0805 0.00000
614 -0.0388 0.00000
615 0.0047 0.00000
616 0.0471 0.00000
617 0.1033 0.00000
618 0.0547 0.00000
619 0.0775 0.00000
620 0.0296 0.00000
621 0.0429 0.00000
622 -0.0108 0.00000
623 0.0156 0.00000
624 0.0557 0.00000
625 0.0687 0.00000
626 0.0430 0.00000
627 0.0620 0.00000
628 0.0162 0.00000
629 0.0429 0.00000
630 0.0147 0.00000
631 0.1159 0.00000
632 -0.0053 0.00000
633 0.0286 0.00000
634 0.0110 0.00000
635 0.0926 0.00000
636 0.0378 0.00000
637 0.0411 0.00000
638 0.0341 0.00000
639 0.0224 0.00000
640 0.0379 0.00000
641 -0.0237 0.00000
642 0.0561 0.00000
643 0.0450 0.00000
644 0.0400 0.00000
645 0.0314 0.00000
646 -0.0152 0.00000
647 -0.0030 0.00000
648 0.0466 0.00000
649 0.0767 0.00000
650 0.0314 0.00000
651 0.0788 0.00000
652 -0.0037 0.00000
653 -0.0131 0.00000
654 -0.0233 0.00000
655 -0.0269 0.00000
656 -0.0264 0.00000
657 0.0594 0.00000
658 0.0182 0.00000
659 0.0124 0.00000
660 0.0671 0.00000
661 -0.0069 0.00000
662 -0.0317 0.00000
663 -0.0112 0.00000
664 0.0391 0.00000
665 -0.0033 0.00000
666 0.0222 0.00000
667 0.0614 0.00000
668 -0.0163 0.00000
669 -0.0455 0.00000
670 -0.0026 0.00000
671 0.0308 0.00000
672 0.0348 0.00000
673 0.0167 0.00000
674 0.0237 0.00000
675 -0.0390 0.00000
676 0.0836 0.00000
677 0.0028 0.00000
678 -0.1059 0.00000
679 0.1370 0.00000
680 0.0016 0.00000
681 0.0111 0.00000
682 -0.0042 0.00000
683 0.0260 0.00000
684 0.0588 0.00000
685 0.0557 0.00000
686 0.0809 0.00000
687 0.0180 0.00000
688 0.1126 0.00000
689 0.0403 0.00000
690 0.0249 0.00000
691 -0.0091 0.00000
692 0.0574 0.00000
693 0.0089 0.00000
694 -0.0353 0.00000
695 -0.0093 0.00000
696 0.0272 0.00000
697 -0.0060 0.00000
698 0.0061 0.00000
699 0.0111 0.00000
700 -0.0212 0.00000
701 0.0222 0.00000
702 0.0729 0.00000
703 -0.0073 0.00000
704 -0.0705 0.00000
705 -0.0111 0.00000
706 -0.0153 0.00000
707 -0.0154 0.00000
708 0.0846 0.00000
709 0.0012 0.00000
710 0.0070 0.00000
711 -0.0651 0.00000
712 0.0731 0.00000
713 0.0819 0.00000
714 -0.0369 0.00000
715 -0.0466 0.00000
716 0.0084 0.00000
717 -0.0567 0.00000
718 -0.0028 0.00000
719 -0.0062 0.00000
720 0.0504 0.00000
721 -0.0091 0.00000
722 0.0429 0.00000
723 0.0479 0.00000
724 0.0048 0.00000
725 -0.0042 0.00000
726 -0.0184 0.00000
727 0.0988 0.00000
728 -0.0580 0.00000
729 -0.0466 0.00000
730 0.0035 0.00000
731 0.0413 0.00000
732 0.0291 0.00000
733 0.0221 0.00000
734 0.0592 0.00000
735 0.0223 0.00000
736 -0.0210 0.00000
737 0.0291 0.00000
738 0.0398 0.00000
739 0.0424 0.00000
740 0.0219 0.00000
741 0.0117 0.00000
742 -0.0227 0.00000
743 -0.0683 0.00000
744 0.0668 0.00000
745 0.0294 0.00000
746 0.0152 0.00000
747 0.0414 0.00000
748 0.0055 0.00000
749 0.0832 0.00000
750 -0.0342 0.00000
751 -0.0029 0.00000
752 0.0228 0.00000
753 -0.0297 0.00000
754 0.0471 0.00000
755 -0.0037 0.00000
756 0.0443 0.00000
757 -0.0366 0.00000
758 -0.0166 0.00000
759 -0.0064 0.00000
760 -0.0771 0.00000
761 0.0544 0.00000
762 0.0211 0.00000
763 0.0607 0.00000
764 0.0255 0.00000
765 0.0592 0.00000
766 -0.0387 0.00000
767 0.0078 0.00000
768 0.0246 0.00000
769 0.0107 0.00000
770 -0.0320 0.00000
771 -0.0348 0.00000
772 -0.1111 0.00000
773 -0.0496 0.00000
774 0.0171 0.00000
775 -0.0235 0.00000
776 -0.0186 0.00000
777 -0.0148 0.00000
778 -0.0141 0.00000
779 -0.0041 0.00000
780 -0.0346 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 3 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
0.74326 -2.55459 2.94747
-2.55387 -6.36126-22.86285
2.94733-22.86227 0.66147
POSITION FORCE-CONSTANT FOR ION 3 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.382270 3.757022 2.786029
4.30302 2.15352 7.05746 -0.033489 -0.020181 0.062238
1.30883 4.06731 2.03161 -0.425714 -34.976696 1.104846
3.96992 4.32885 4.13194 0.406782 0.222064 0.278419
1.29275 3.05683 8.10201 -0.054633 -0.084581 -0.031147
3.79636 1.47547 14.70421 -0.347372 0.122149 0.658508
1.24643 4.63551 10.86193 -0.002257 -0.098762 -0.007104
3.89005 4.20092 12.88287 0.032632 -0.476415 -0.012099
1.04482 6.69020 17.44020 -0.548436 4.031178 -3.153251
3.77370 7.04599 6.61024 0.003717 0.012177 0.158399
0.71312 9.21049 2.53845 -0.028550 0.580489 0.577884
3.86880 9.70388 4.59023 0.174917 0.111510 0.194655
1.19399 7.29663 8.75952 -0.037919 -0.035647 0.049455
4.14925 6.52609 15.71477 0.527047 -0.375517 -0.439136
1.16791 10.19708 10.50563 0.051052 0.065809 -0.066653
3.90202 11.30466 11.97145 0.020334 0.089547 0.009906
1.41963 13.48240 16.88000 -0.002675 0.369923 0.224122
3.89470 12.50036 6.39588 -0.009014 0.205912 0.008837
1.24092 15.65995 2.03746 0.228901 0.830689 -0.298721
3.45676 13.88732 3.60018 -0.184596 0.315460 -0.146514
1.37686 12.90671 8.69683 -0.009766 0.103522 0.016937
4.20896 12.98001 14.89140 -0.051899 0.179821 0.026030
1.28271 15.54574 11.35729 -0.001583 0.067949 0.090571
4.02704 16.14416 13.12883 -0.071662 0.224575 0.177002
8.51844 2.13686 0.32759 -0.005051 -0.047566 -0.011079
10.42520 1.68659 6.72748 0.021452 -0.018227 0.006672
6.89192 4.41938 2.41726 0.122031 -0.214360 -0.029308
10.22536 4.35381 4.16682 0.051082 -0.029448 -0.010747
7.19238 2.15284 8.75827 0.012910 -0.042906 -0.000551
10.67141 2.29852 15.08728 0.049908 -0.061312 0.064398
7.24075 4.59797 11.01224 0.008332 -0.058303 0.006785
10.30176 4.56419 12.61212 0.006984 -0.093808 -0.002997
6.40057 6.85176 0.36515 0.271869 -0.020587 0.124164
9.75325 6.62606 6.90745 0.023599 -0.029402 -0.003672
6.24007 9.67823 1.67645 0.114427 0.175613 0.006535
6.65558 7.06042 8.79421 0.045828 0.002243 0.032727
11.80692 6.94639 14.05727 -0.068669 -0.014967 -0.075040
6.39955 9.97659 10.34026 0.009028 0.040725 -0.016386
11.03265 10.16848 13.84914 -0.008612 0.056216 -0.006650
6.77345 12.10505 16.99256 0.005935 0.158195 -0.054249
10.32223 13.09442 6.99099 0.019838 0.054319 0.005984
10.59365 15.96480 4.77521 0.017178 0.025690 -0.038075
6.94250 12.79247 7.88185 0.021049 0.033236 -0.001799
10.18654 12.31147 16.08279 0.011895 0.065317 0.002577
7.13888 17.01345 11.20310 -0.049053 0.012715 0.032142
10.37682 0.23169 12.64835 0.003910 0.002454 0.004847
13.24904 1.54346 17.14370 0.241775 -0.029224 -0.080553
15.89410 1.64185 6.44545 0.009969 0.007921 -0.143544
12.98857 4.28042 2.14546 0.038267 -0.149581 0.155409
15.96785 4.32998 4.48967 -0.116612 -0.417046 -0.215670
13.27097 1.52537 8.57426 0.064892 -0.032338 -0.045696
16.03461 1.53130 15.21659 0.527364 -0.415372 0.522521
13.37701 3.97590 10.80799 0.006943 -0.061026 -0.008089
16.23421 4.17555 13.11475 0.020425 -0.497392 -0.001538
13.12188 6.75851 16.83328 -0.163563 -0.111880 0.053515
16.15350 6.82329 6.57280 -0.038938 -0.181400 0.048636
13.80451 11.28726 3.11364 -0.099705 0.140163 -0.027564
16.01530 9.31599 4.57229 -0.287196 0.117697 0.265474
16.24774 6.95131 14.97400 -0.706488 -0.035693 -0.764715
13.37358 11.10317 11.33384 -0.057365 0.071223 -0.051758
16.26481 10.28310 12.82929 -0.035615 0.211365 -0.075095
13.02958 12.87265 0.34345 -0.012158 0.157925 -0.007255
15.63587 13.81058 6.90598 0.013343 0.122927 -0.068105
13.11026 15.86276 1.91698 0.078659 0.087927 0.008156
16.04847 15.98249 4.25314 0.233609 0.100883 -0.215428
12.92950 13.50280 9.01948 0.003769 0.068551 -0.018390
16.03470 13.24150 15.21399 0.044718 0.217045 0.027587
13.00717 16.52927 10.76204 0.040667 0.010985 0.033798
15.92967 15.85673 13.13419 0.019551 0.200898 0.069245
1.86054 17.36365 1.29865 -0.004871 -0.704933 0.071339
4.17830 2.73136 5.21241 -0.099745 0.070000 -0.168571
3.26426 5.75851 5.24301 -0.007852 0.025490 0.049658
17.49829 1.67854 7.58538 0.024647 0.029836 0.032885
1.16532 17.05709 10.27678 -0.001059 -0.002901 -0.013538
3.43296 5.28736 14.40974 -0.072856 0.203679 0.206039
5.78979 4.58179 12.35127 -0.014215 0.062591 0.021091
2.66622 1.96025 16.18884 0.508393 -0.251916 -0.919371
17.32027 0.89679 16.51550 -0.113134 -0.329744 -0.572305
0.46199 8.18893 0.93413 -0.045760 -0.624611 0.087711
5.39231 10.11127 3.40660 -0.041933 -0.020964 -0.009996
2.32066 9.80687 3.44943 -0.045632 -0.107534 -0.135883
4.91964 7.92130 14.71679 -0.122506 0.071314 0.102183
2.68710 7.23238 16.69438 -0.198657 -0.351866 0.488144
0.01020 10.88204 2.02154 0.025051 -0.141784 -0.109640
4.21835 0.28129 6.98759 0.000575 0.016643 -0.026600
17.23783 13.81793 8.03064 0.005445 -0.021872 0.004331
4.79582 14.66186 14.12172 0.017050 -0.056678 -0.007955
1.82404 14.00413 10.26937 0.007630 -0.029270 -0.028249
5.26768 16.92854 11.79676 0.038742 -0.014463 -0.038284
10.96027 2.96124 5.34122 -0.012908 0.016759 -0.004977
6.97457 3.04582 1.08259 -0.001737 0.064971 0.034693
10.16898 6.05361 5.08582 -0.012019 0.019708 0.004161
8.34039 4.05066 3.68939 -0.025784 0.033762 0.006387
8.74489 2.42632 7.55292 -0.006354 0.015432 0.002227
7.18775 0.35634 9.46384 0.010216 0.012464 -0.012907
11.47395 4.04892 11.19556 -0.007658 0.023075 -0.000034
9.15080 2.77757 16.12393 -0.004886 0.022160 -0.010570
7.98734 0.36277 0.04247 0.000393 0.013935 -0.002946
8.09306 7.37877 7.53063 -0.013942 0.006970 0.003031
5.20414 6.37683 7.73407 -0.034249 -0.001394 -0.043452
12.25313 11.32613 12.87115 0.005249 -0.011581 0.005803
7.88582 9.71337 11.41294 -0.001979 0.000636 0.005136
7.90588 7.26091 16.85699 -0.033280 -0.002068 -0.017708
11.07224 14.64349 6.08452 -0.009250 -0.010108 0.010592
9.97410 0.03402 5.82220 -0.004036 0.007658 0.009563
11.77786 16.49122 3.26041 -0.024619 -0.002734 0.021574
6.65717 11.67689 9.40508 -0.004986 -0.014007 0.008877
7.76961 15.24886 11.07941 0.012526 -0.002591 -0.009119
8.52712 0.41686 12.29829 0.006741 0.001130 -0.005890
13.11181 17.12784 0.26607 -0.042221 -0.020176 0.016429
13.20693 2.50512 1.34897 -0.024383 0.040785 0.012393
17.29335 3.71694 3.19979 -0.185937 2.595944 0.207704
14.20035 4.69758 3.69278 -0.149846 0.067909 0.022068
14.59997 3.56179 12.23787 -0.025805 0.060885 -0.017364
13.57708 5.48481 0.72232 0.052876 0.075322 -0.093226
12.29749 8.18631 0.22048 0.033243 0.021473 -0.025068
16.86596 10.59176 5.62457 0.032608 -0.024022 -0.059623
16.66958 8.43890 13.63905 0.089658 -0.082458 0.105481
16.67265 11.67449 14.15979 0.004052 -0.080376 -0.024224
14.70756 7.45696 15.98014 0.155741 -0.003768 0.022953
16.06899 0.34084 4.92526 -0.012882 0.023045 0.044213
14.63768 15.41566 3.05858 -0.063163 -0.022821 0.001140
12.21694 15.07373 9.87203 -0.006156 -0.010457 -0.012136
15.65466 0.14914 13.86557 -0.078007 -0.001845 -0.103154
14.35754 15.71932 11.91759 -0.015345 -0.024521 -0.028445
14.30081 12.83268 16.21967 0.004574 -0.030324 -0.001366
8.77223 10.39607 2.47225 0.020688 0.031429 0.007163
12.91187 8.54216 10.48161 -0.004312 0.009417 -0.004178
8.49467 15.82840 2.99445 -0.007803 0.006740 -0.006381
1.32045 2.68577 1.08043 -0.282467 11.203910 5.960956
5.44581 4.42337 3.31859 -0.136360 0.054788 0.024621
2.71895 4.15019 2.95898 0.490933 3.125884 0.157804
2.89361 2.63574 7.84048 0.039416 0.031749 -0.010758
3.72928 2.61904 13.46082 0.101610 0.463173 -0.401297
1.12195 3.42722 9.72736 0.010053 0.060781 0.036930
2.69176 4.49808 11.70258 -0.001805 0.084285 0.028414
1.13271 5.33613 0.95032 -0.881174 10.088921 -6.253394
4.03043 8.42197 5.67301 -0.038340 0.018593 -0.086368
3.75157 11.03623 5.64253 -0.033079 -0.166862 -0.116592
2.52170 7.25791 7.75547 0.034198 0.011515 -0.053629
17.39856 7.13193 7.68295 0.022789 0.036815 -0.007721
1.18188 6.06412 9.94036 0.002862 0.066440 -0.028887
1.18202 8.73358 9.65531 -0.001225 -0.003874 0.001665
3.91098 11.84592 13.59643 -0.010407 -0.083963 -0.042669
5.12928 10.31683 11.41789 -0.001784 -0.027236 0.010894
2.50977 10.51875 11.46580 -0.030923 -0.037406 0.005832
17.45087 6.59897 16.12377 0.921224 -0.482972 1.300454
3.55980 13.67281 5.25157 0.032341 -0.108309 0.102631
1.28803 14.62748 0.64715 0.000667 -0.500028 -0.291218
4.98905 14.24610 3.11864 0.043116 -0.074180 0.016326
2.40264 15.06164 3.08512 0.211848 -0.391732 0.252184
2.72172 12.72875 7.62075 0.021217 -0.039843 -0.020888
1.06333 11.39589 9.35618 -0.012051 -0.077638 0.035633
3.61212 17.43666 14.11103 0.111973 -0.298437 -0.270195
2.61877 15.69429 12.36150 -0.034420 -0.053433 -0.071507
2.80206 13.36593 15.83914 0.039888 -0.093041 -0.038094
17.47316 13.58140 16.05649 -0.083904 -0.118868 -0.072364
9.77890 2.08644 1.42003 -0.001355 0.023122 0.010851
11.39452 4.37239 2.86549 -0.052554 0.036139 -0.008827
5.75314 2.47184 7.89843 -0.012423 0.028766 -0.017303
10.58974 3.42804 13.84178 -0.008763 0.064275 -0.043815
7.29963 3.26088 10.01774 -0.003910 0.047595 0.019950
10.61644 6.04073 13.30213 0.034638 0.066767 0.037046
8.72282 4.57356 11.93667 -0.014979 0.027174 -0.003108
6.87268 5.85394 1.60201 -0.083934 0.142733 -0.084905
10.69996 7.99849 7.09252 -0.002051 0.014930 0.003185
5.73707 8.23825 1.01832 -0.119768 -0.068950 -0.040456
10.63831 11.82289 5.95914 0.002072 -0.022713 -0.016380
12.27791 10.92294 3.59234 0.027892 -0.019623 -0.008208
7.82470 9.40720 2.06031 -0.063940 -0.029473 -0.014827
7.06519 5.95381 10.03323 -0.017797 0.044698 -0.034027
11.49637 8.56646 14.11248 0.021938 -0.026110 0.018887
6.22218 8.54831 9.46647 -0.010140 -0.013012 -0.007342
10.64255 10.88430 15.28736 0.007316 -0.035606 -0.013075
5.27533 6.08183 16.89617 -0.285262 0.072267 -0.033625
6.19392 10.87447 0.49133 -0.040532 -0.114632 0.065771
6.63594 13.50144 0.40946 0.009854 -0.059559 -0.012329
9.20318 15.33527 4.12194 0.001390 -0.006900 0.013790
8.65369 12.87516 7.41323 -0.018205 -0.013761 0.002315
5.50203 12.61795 6.94111 -0.013747 -0.032406 -0.008582
10.10713 13.64215 15.27789 -0.001805 -0.031025 0.005194
10.67911 0.87544 14.08625 -0.008084 0.016329 -0.006594
11.60356 17.20368 11.75834 -0.008944 0.001635 -0.005931
8.39118 11.91622 16.60701 -0.012558 -0.030592 0.006922
5.50451 12.34914 15.80657 0.045331 -0.071511 0.040869
15.73327 3.04046 5.55542 -0.076901 -0.085524 0.153186
16.46394 5.60663 5.46979 0.053286 0.328550 0.170753
14.52808 1.45286 7.47168 -0.069629 0.007430 0.076800
11.79275 1.56088 7.78873 -0.032606 0.015497 -0.008725
13.32704 0.21681 9.64565 -0.017406 0.006568 0.000137
16.41790 2.90736 14.26355 -0.054087 0.386195 -0.291095
13.45171 2.82808 9.57211 -0.011419 0.046853 0.032189
16.10069 5.57752 13.99343 0.083422 0.365977 0.291425
0.00005 4.40711 11.99025 0.002299 0.082086 0.007904
14.62884 1.73967 16.17160 -0.330512 0.069175 0.052214
11.98368 2.03831 16.06725 -0.102972 0.044392 -0.047943
15.63239 8.11986 5.68103 0.038929 0.109762 -0.118792
17.11138 8.55854 3.60414 0.222822 -0.185006 -0.307665
14.79559 9.98222 3.60061 0.127950 -0.107820 0.002994
14.83832 6.40254 7.47085 0.015016 0.043017 -0.005383
10.26118 5.42988 7.96507 -0.007020 0.024892 -0.006573
13.84142 5.42996 10.14226 0.004590 0.039260 -0.006037
12.90067 9.94534 10.26834 0.008016 -0.008018 0.006454
17.40760 10.25314 11.57387 -0.051559 -0.052646 0.075597
14.84553 10.65634 12.01294 0.077678 -0.058166 0.051169
12.09160 6.31793 15.56215 0.074958 0.035617 0.056394
13.66330 11.76838 1.50243 0.037179 -0.076551 0.047979
15.90808 14.97969 5.66759 -0.041548 -0.123259 0.134313
12.90234 14.38066 1.10662 -0.015099 -0.123688 -0.049362
17.39979 15.79595 3.12260 -0.286686 -0.130028 0.287367
14.24465 13.87010 7.98683 -0.013583 -0.023670 0.010941
11.50975 12.98027 8.22780 -0.008001 -0.021815 -0.002006
13.37751 12.44417 10.26044 0.010969 -0.055459 0.043095
15.76289 14.59733 14.23402 -0.011585 -0.149784 0.037737
17.35248 15.55367 12.27553 0.026826 -0.044874 -0.051939
11.51892 12.39014 17.28946 -0.010301 -0.028681 -0.003338
2.14782 0.44560 2.19550 -0.151243 0.147429 -0.158778
3.29477 2.11300 4.94555 0.004290 0.001078 -0.028735
2.45654 5.15830 5.71352 -0.002834 0.000360 0.016087
17.13665 1.28635 8.55333 0.004290 0.005991 0.005116
2.05496 17.16622 9.63831 0.000676 0.004196 -0.002299
2.76007 4.61458 14.97268 0.020689 -0.067717 -0.020505
5.82104 5.64963 12.65472 0.021633 0.015269 -0.005872
1.99867 2.73895 15.76239 -0.038962 -0.088099 0.045332
16.62702 0.41219 17.23014 0.009854 0.035927 0.029765
0.53299 8.97932 0.15968 0.079820 -0.177343 -0.016721
6.28070 9.99466 4.05905 -0.012286 -0.004452 -0.000243
2.80484 10.34140 2.60493 -0.001277 0.019626 0.010483
5.85876 7.59725 14.24081 -0.034450 -0.029301 0.034926
2.33378 8.07412 16.06384 -0.145285 -0.113752 0.092141
0.72196 11.42800 1.39191 0.001314 0.028009 -0.011821
4.17641 17.36384 8.00554 0.003042 0.018925 0.002672
0.17664 14.81238 7.80592 -0.002178 -0.001720 -0.005250
5.28314 15.15948 14.98492 -0.014843 0.008731 -0.002235
1.99589 13.21868 11.02572 0.001376 0.006802 0.003008
4.90269 16.46159 10.85427 0.004066 0.004531 -0.011793
11.44760 2.27402 4.62061 -0.000374 0.007295 0.001121
6.42001 2.18281 1.50214 -0.010109 0.017692 -0.015156
11.20298 6.44871 5.00937 0.000120 0.000191 0.000208
8.23943 2.94593 3.71752 -0.002337 0.009841 -0.009033
9.07830 3.43667 7.86385 0.000079 0.003234 -0.001127
8.13841 17.45818 9.05432 0.001200 0.007449 -0.005077
11.09062 4.59939 10.31069 -0.000838 0.002746 -0.001608
8.29143 2.75175 15.42638 -0.006129 -0.000764 0.003784
8.82941 17.22992 17.22214 0.007795 0.010072 0.002012
7.50840 7.62286 6.62087 0.002151 0.005861 -0.001895
4.60511 5.74329 8.41778 -0.001052 0.004029 -0.002395
12.92668 11.75537 13.63632 -0.001947 0.008051 0.000902
8.02117 10.55523 12.10517 -0.000596 0.005834 -0.002261
8.67556 7.71636 17.49570 -0.011433 0.003934 0.004039
11.47875 15.24589 6.91703 -0.000005 0.002038 0.000050
9.35972 16.97903 6.56192 -0.002621 0.006973 0.001992
11.03713 17.07922 2.67792 -0.002859 0.003238 0.001113
7.42775 12.08916 10.09180 -0.001194 0.005230 -0.001100
7.92017 14.83580 12.09082 -0.002112 0.007542 0.000093
8.50905 1.48718 11.99359 -0.000734 0.001406 0.001030
13.83892 16.58967 17.12637 0.010993 0.023387 0.010260
14.18064 2.16404 1.76300 0.001084 0.017298 -0.018837
0.22637 2.85420 3.74771 1.010997 0.950336 -0.946559
13.55731 4.46328 4.56374 -0.056105 0.034988 -0.016691
13.93368 3.48067 13.12140 0.004614 -0.003166 0.000215
14.29477 4.78199 0.25086 -0.017340 -0.022769 -0.007109
12.05112 9.01860 17.04503 -0.003013 0.011239 0.002819
16.27694 10.80430 6.52497 -0.002984 -0.003079 -0.016692
16.72250 7.84092 12.70809 0.001232 -0.020116 0.029556
0.08131 12.14367 13.72814 -0.006343 0.002179 -0.000117
15.18747 8.06134 16.77823 -0.031443 0.046169 0.011511
15.33129 0.80027 4.23469 0.004262 0.004322 0.002115
15.22283 14.74953 2.39790 0.008714 0.020830 -0.001192
11.52991 14.60593 10.60396 -0.001880 0.006263 0.000512
14.54913 0.08259 13.94141 -0.021505 -0.006937 -0.031692
13.64918 15.17179 12.57877 -0.003859 0.005190 -0.000116
14.26990 11.73639 16.04700 -0.012858 -0.004532 -0.008842
2.83011 17.00291 0.89614 0.046491 -0.094804 0.010431
5.01762 2.19884 4.72481 -0.018699 0.017497 -0.009023
2.72197 6.40768 4.52960 0.020526 0.073580 0.044999
0.61592 0.85326 7.17988 -0.002655 0.011938 -0.006365
1.05804 0.47662 10.87149 0.000721 -0.004749 0.006932
2.72869 6.02833 13.97220 -0.012462 0.024127 -0.032787
6.27365 4.07474 13.21275 -0.008210 -0.006005 -0.005736
3.39789 2.54642 16.78232 -0.087393 -0.095858 0.099217
0.26647 0.03376 15.97352 -0.151287 -0.074489 -0.109827
16.86896 8.04953 1.06168 -0.012372 0.041762 -0.001283
5.26691 11.21282 3.35522 -0.005027 0.002682 -0.005670
1.79651 10.63408 3.97172 -0.029823 -0.026410 -0.019267
4.24367 8.25477 13.91418 0.009775 0.009221 -0.008055
3.20146 7.72932 0.04071 0.023873 0.040820 0.010254
17.29565 11.52683 2.88643 0.015657 -0.053859 -0.007275
5.09458 17.34903 6.48077 -0.001596 0.003022 -0.002604
16.80060 13.95067 9.04167 0.002823 0.003441 0.001360
5.65314 14.35380 13.49055 0.006846 -0.002918 0.000279
2.85103 14.37043 10.06567 -0.001780 0.003581 0.000615
4.88020 0.46410 11.72901 -0.001631 -0.001170 0.013545
11.82432 3.49932 5.78478 0.000889 0.003798 -0.004249
6.33916 3.40343 0.25044 -0.008640 -0.025914 0.002750
9.59394 6.71839 4.41200 0.000073 0.006970 -0.000090
7.91802 4.38505 4.66043 0.003419 0.001110 0.007298
8.23543 2.62518 6.58554 -0.000279 0.003557 -0.000636
6.41431 17.32071 8.88054 -0.000928 0.005847 0.001361
11.14557 3.00954 10.98712 0.002282 0.008031 0.003525
9.36027 3.86210 16.23230 0.003375 0.005528 -0.000691
7.53966 17.41529 0.94072 -0.005360 0.007845 -0.004083
8.48774 8.36338 7.84778 -0.002054 0.004830 0.000692
5.72768 5.64505 7.08615 0.004252 -0.000387 0.004280
11.53162 12.14308 12.66419 0.002998 0.003319 -0.000919
7.77778 8.79967 12.01567 0.004312 0.000527 -0.001362
7.67148 7.97660 16.05599 0.009423 0.010035 -0.001868
11.96712 14.11387 5.69832 0.001171 0.007306 -0.000662
9.20674 0.45352 5.13285 -0.000590 0.001430 -0.001793
12.42086 17.27854 3.71166 0.003471 -0.001572 -0.003364
5.72984 12.20671 9.71226 0.001615 0.004598 0.000550
7.06651 14.59485 10.54611 -0.002166 0.006116 0.001024
8.18003 0.43236 13.34917 -0.005583 0.003876 -0.000987
12.13433 16.79403 17.35819 -0.008426 0.002642 -0.000869
12.47800 1.85419 1.86970 -0.006519 0.019108 0.004493
16.61133 3.22326 2.47663 0.709864 0.451437 -0.379998
14.18380 5.80672 3.64923 -0.047020 0.034696 0.014472
14.87276 2.50739 12.03337 0.013906 0.016065 0.012250
14.23243 6.19147 1.27631 -0.014252 0.024683 0.027474
12.93327 8.58137 1.02753 -0.007332 0.009894 0.006190
0.31818 10.15222 5.96061 0.005573 0.007543 0.012378
0.23893 8.66414 13.84372 0.015981 0.020790 -0.034383
17.08408 11.06555 14.99139 0.009403 0.009331 0.004818
14.24371 8.22849 15.33189 0.041352 -0.005334 -0.006250
17.03243 0.72423 4.52831 -0.002665 -0.013591 -0.019105
14.06257 14.70897 3.69175 -0.012422 -0.001581 0.002609
11.55248 15.52990 9.11606 -0.001735 0.000513 -0.002057
15.79992 0.71375 12.92180 -0.018206 -0.012343 -0.039502
14.66771 14.92743 11.20480 -0.007820 -0.000312 -0.008211
13.59723 13.22883 15.45681 0.001145 0.004149 0.003398
0.28893 16.96969 9.61776 -0.000284 0.006387 -0.002975
5.14861 8.79609 15.34428 0.019704 0.028244 -0.017731
16.57887 10.76457 1.44815 -0.020412 0.031009 -0.003369
3.32280 17.43531 6.45000 0.004673 0.008996 -0.005685
7.22345 0.33037 16.74849 -0.006075 0.008038 0.007648
8.80270 9.61454 10.81195 -0.001234 0.003050 0.000803
8.32656 6.35754 16.39008 -0.004078 0.004386 0.003610
8.73549 15.20213 10.55252 0.002699 0.001601 -0.000727
11.35757 7.84337 0.68199 0.010859 -0.006004 -0.004334
17.07689 11.54135 5.11708 -0.001714 0.011588 0.011769
1.05898 4.30352 7.32607 0.009049 0.023298 0.000852
4.03509 12.56543 11.20951 -0.002591 -0.007084 0.000233
2.98241 12.61908 2.99845 0.015734 -0.047063 0.004844
13.02951 6.77394 13.23542 0.010526 0.007665 0.008445
9.81405 10.04557 13.02717 -0.000120 -0.001987 0.000944
14.38062 12.44509 3.83928 0.008995 -0.017180 -0.002802
15.29130 12.60070 6.14349 -0.003009 -0.013501 0.004003
1.51212 12.17674 0.04632 0.000727 -0.063559 -0.016689
5.20365 1.54821 15.21091 0.128843 -0.015336 -0.082366
6.79297 14.20253 8.32851 -0.001758 -0.004667 -0.001158
11.61515 7.96197 6.76612 -0.003616 0.000148 0.000481
10.25461 10.96603 6.21744 0.001138 0.007138 0.003471
11.90891 11.26603 4.43245 -0.006787 0.011213 0.011228
8.53540 10.78259 3.48001 0.000993 0.000784 -0.004764
9.76681 9.93079 2.50215 -0.003594 0.002234 0.001084
8.80784 11.23977 1.76494 -0.002568 -0.000248 0.001447
14.97448 6.01037 8.35394 -0.004557 -0.003420 0.001657
10.93413 4.83383 7.59381 0.000126 -0.001894 -0.000988
13.14865 5.92816 9.67432 -0.000380 -0.002989 -0.001869
12.65000 8.06887 9.52187 0.001409 0.002995 0.003201
13.90414 8.18239 10.79823 0.001215 0.000806 -0.002281
12.16474 8.24325 11.23577 -0.001198 0.002643 -0.000556
5.27827 14.04824 2.20496 -0.019313 0.033001 0.006243
10.20084 2.92381 1.69633 0.006027 -0.005189 -0.004278
7.46833 14.00510 0.41146 -0.004096 0.015737 0.000943
7.48179 15.39929 3.01468 -0.001347 0.008968 -0.000061
8.41010 16.93048 3.00754 -0.000747 -0.000397 -0.001956
8.99741 15.53505 2.05618 0.002247 0.007014 0.000108
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 3 DIRECTION 2 : 0.313 3.460 0.133
rigid augmentation : 0.000 0.185 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : 0.313 -0.725 0.133
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 9/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 12( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258947; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258958; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01033976
-V(xc)+E(xc) XCENC = 0.01972295
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03774189
---------------------------------------------------
free energy TOTEN = -0.02835869 eV
energy without entropy = -0.02835869
----------------------------------------- Iteration 12( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258947; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258958; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10417E+01 rms(broyden)= 0.10406E+01
rms(prec ) = 0.11173E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01033976
-V(xc)+E(xc) XCENC = 0.01972295
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01471203
---------------------------------------------------
free energy TOTEN = -0.00532884 eV
energy without entropy = -0.00532884
----------------------------------------- Iteration 12( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258927; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258977; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.63112E+00 rms(broyden)= 0.63101E+00
rms(prec ) = 0.68287E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4380
2.4380
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00951575
-V(xc)+E(xc) XCENC = 0.01684185
PAW double counting = 0.01932989 -0.01933239
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01475099
---------------------------------------------------
free energy TOTEN = -0.00742740 eV
energy without entropy = -0.00742740
----------------------------------------- Iteration 12( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259099; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258485; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10693E+00 rms(broyden)= 0.10675E+00
rms(prec ) = 0.13794E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0370
1.6634 2.4107
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00865445
-V(xc)+E(xc) XCENC = 0.01481489
PAW double counting = 0.12251271 -0.12252627
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01521686
---------------------------------------------------
free energy TOTEN = -0.00907000 eV
energy without entropy = -0.00907000
----------------------------------------- Iteration 12( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259077; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258506; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54518E-01 rms(broyden)= 0.54469E-01
rms(prec ) = 0.73105E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7285
2.5859 1.8142 0.7856
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00830336
-V(xc)+E(xc) XCENC = 0.01434942
PAW double counting = 0.13130307 -0.13131577
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01555594
---------------------------------------------------
free energy TOTEN = -0.00952258 eV
energy without entropy = -0.00952258
----------------------------------------- Iteration 12( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259067; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258516; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28456E-01 rms(broyden)= 0.28440E-01
rms(prec ) = 0.42574E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7347
2.7682 2.1874 0.9916 0.9916
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00825847
-V(xc)+E(xc) XCENC = 0.01430780
PAW double counting = 0.13555188 -0.13556506
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01558898
---------------------------------------------------
free energy TOTEN = -0.00955283 eV
energy without entropy = -0.00955283
----------------------------------------- Iteration 12( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259056; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258420; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.14489E-01 rms(broyden)= 0.14478E-01
rms(prec ) = 0.22934E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8472
3.1075 2.4466 1.7848 0.9486 0.9486
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00823246
-V(xc)+E(xc) XCENC = 0.01433053
PAW double counting = 0.13565362 -0.13566682
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01562399
---------------------------------------------------
free energy TOTEN = -0.00953912 eV
energy without entropy = -0.00953912
----------------------------------------- Iteration 12( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259045; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258431; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54696E-02 rms(broyden)= 0.54592E-02
rms(prec ) = 0.93404E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8437
3.6491 2.4861 1.8605 1.1270 0.9697 0.9697
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00822694
-V(xc)+E(xc) XCENC = 0.01439409
PAW double counting = 0.13463206 -0.13464522
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01564804
---------------------------------------------------
free energy TOTEN = -0.00949404 eV
energy without entropy = -0.00949404
----------------------------------------- Iteration 12( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259040; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258436; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.33716E-02 rms(broyden)= 0.33669E-02
rms(prec ) = 0.49714E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9462
4.1370 2.5915 2.3734 1.5698 0.9703 0.9909 0.9909
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00821898
-V(xc)+E(xc) XCENC = 0.01440601
PAW double counting = 0.13446306 -0.13447619
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01566509
---------------------------------------------------
free energy TOTEN = -0.00949119 eV
energy without entropy = -0.00949119
----------------------------------------- Iteration 12( 10) ---------------------------------------
BZINTS: Fermi energy: 0.259037; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258439; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12820E-02 rms(broyden)= 0.12788E-02
rms(prec ) = 0.19223E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9891
4.6976 2.9044 2.4645 1.8016 0.9622 0.9622 0.9402 1.1798
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00821840
-V(xc)+E(xc) XCENC = 0.01440924
PAW double counting = 0.13444567 -0.13445881
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01567065
---------------------------------------------------
free energy TOTEN = -0.00949296 eV
energy without entropy = -0.00949296
----------------------------------------- Iteration 12( 11) ---------------------------------------
BZINTS: Fermi energy: 0.259035; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258441; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56703E-03 rms(broyden)= 0.56571E-03
rms(prec ) = 0.86273E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9878
4.9202 3.0163 2.4825 1.9701 1.5839 1.0369 1.0369 0.9218 0.9218
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00821748
-V(xc)+E(xc) XCENC = 0.01440619
PAW double counting = 0.13450009 -0.13451324
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01567400
---------------------------------------------------
free energy TOTEN = -0.00949844 eV
energy without entropy = -0.00949844
----------------------------------------- Iteration 12( 12) ---------------------------------------
BZINTS: Fermi energy: 0.259035; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258441; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.25246E-03 rms(broyden)= 0.25202E-03
rms(prec ) = 0.40301E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0112
5.0873 3.3742 2.6202 2.3218 1.7483 1.1528 0.9689 0.9689 0.9928 0.8762
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00821751
-V(xc)+E(xc) XCENC = 0.01440494
PAW double counting = 0.13451929 -0.13453245
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01567625
---------------------------------------------------
free energy TOTEN = -0.00950199 eV
energy without entropy = -0.00950199
----------------------------------------- Iteration 12( 13) ---------------------------------------
BZINTS: Fermi energy: 0.259035; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258441; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12223E-03 rms(broyden)= 0.12201E-03
rms(prec ) = 0.18723E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0269
5.1696 3.7348 2.7162 2.4644 1.8493 1.5231 1.0594 1.0594 0.9537 0.9537
0.8127
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00821763
-V(xc)+E(xc) XCENC = 0.01440451
PAW double counting = 0.13452813 -0.13454126
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01567670
---------------------------------------------------
free energy TOTEN = -0.00950296 eV
energy without entropy = -0.00950296
----------------------------------------- Iteration 12( 14) ---------------------------------------
BZINTS: Fermi energy: 0.259035; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258441; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.68242E-04 rms(broyden)= 0.68131E-04
rms(prec ) = 0.95585E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0118
5.3261 3.9449 2.8127 2.4713 2.0558 1.6415 1.1844 1.0181 1.0181 0.9556
0.9556 0.7577
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00821778
-V(xc)+E(xc) XCENC = 0.01440463
PAW double counting = 0.13452092 -0.13453409
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01567610
---------------------------------------------------
free energy TOTEN = -0.00950241 eV
energy without entropy = -0.00950241
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0072 0.00000
3 -0.0690 0.00000
4 -0.1453 0.00000
5 -0.1733 0.00000
6 -0.0671 0.00000
7 -0.0369 0.00000
8 -0.0101 0.00000
9 -0.1605 0.00000
10 0.0051 0.00000
11 0.0235 0.00000
12 0.0342 0.00000
13 0.0283 0.00000
14 -0.0535 0.00000
15 -0.0793 0.00000
16 0.1408 0.00000
17 0.0766 0.00000
18 -0.0012 0.00000
19 0.0420 0.00000
20 -0.0502 0.00000
21 -0.1383 0.00000
22 0.0392 0.00000
23 -0.0406 0.00000
24 0.1660 0.00000
25 0.1704 0.00000
26 0.4281 0.00000
27 0.5069 0.00000
28 -0.0439 0.00000
29 0.0501 0.00000
30 0.8656 0.00000
31 0.1181 0.00000
32 0.0152 0.00000
33 -0.0816 0.00000
34 -0.2157 0.00000
35 -0.0502 0.00000
36 0.0544 0.00000
37 -0.0117 0.00000
38 -0.0137 0.00000
39 0.0897 0.00000
40 -0.1406 0.00000
41 -0.1039 0.00000
42 0.0577 0.00000
43 -0.3190 0.00000
44 -0.2146 0.00000
45 0.0544 0.00000
46 0.1344 0.00000
47 0.2224 0.00000
48 0.0293 0.00000
49 0.0254 0.00000
50 0.2843 0.00000
51 0.1118 0.00000
52 -0.0380 0.00000
53 0.0154 0.00000
54 0.0198 0.00000
55 -0.0647 0.00000
56 0.4311 0.00000
57 -0.2211 0.00000
58 -0.1212 0.00000
59 -0.0242 0.00000
60 0.6857 0.00000
61 -0.1196 0.00000
62 0.5307 0.00000
63 0.3117 0.00000
64 0.2716 0.00000
65 -0.2315 0.00000
66 -0.1242 0.00000
67 0.6474 0.00000
68 -0.0371 0.00000
69 -0.0124 0.00000
70 -0.0199 0.00000
71 -0.3917 0.00000
72 0.0007 0.00000
73 0.0242 0.00000
74 -0.0255 0.00000
75 0.0256 0.00000
76 0.1089 0.00000
77 0.0966 0.00000
78 -0.0606 0.00000
79 0.2956 0.00000
80 0.1492 0.00000
81 -0.5260 0.00000
82 0.0661 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0372 0.00000
90 -0.1435 0.00000
91 -0.0331 0.00000
92 -0.0180 0.00000
93 -0.0134 0.00000
94 0.3600 0.00000
95 0.2231 0.00000
96 0.3088 0.00000
97 -0.1210 0.00000
98 -0.1365 0.00000
99 -0.2186 0.00000
100 0.2339 0.00000
101 -0.2731 0.00000
102 -0.2364 0.00000
103 -0.1551 0.00000
104 0.0379 0.00000
105 -0.0863 0.00000
106 -0.0555 0.00000
107 0.0080 0.00000
108 -1.1508 0.00000
109 -0.1330 0.00000
110 0.0449 0.00000
111 -0.0464 0.00000
112 -0.0810 0.00000
113 0.0625 0.00000
114 -0.1720 0.00000
115 -0.2259 0.00000
116 0.0566 0.00000
117 -0.1221 0.00000
118 0.1031 0.00000
119 0.0351 0.00000
120 -0.0179 0.00000
121 -0.1926 0.00000
122 -0.1988 0.00000
123 0.0879 0.00000
124 0.1683 0.00000
125 0.1030 0.00000
126 -0.2929 0.00000
127 0.1272 0.00000
128 -0.0080 0.00000
129 0.3443 0.00000
130 -0.1014 0.00000
131 0.0157 0.00000
132 0.0422 0.00000
133 -0.0947 0.00000
134 -0.1560 0.00000
135 0.0083 0.00000
136 -0.2125 0.00000
137 0.2170 0.00000
138 -0.4468 0.00000
139 -0.1325 0.00000
140 0.0072 0.00000
141 -0.1105 0.00000
142 0.2518 0.00000
143 -0.0350 0.00000
144 0.0563 0.00000
145 0.1262 0.00000
146 0.3052 0.00000
147 0.1290 0.00000
148 -0.0286 0.00000
149 -0.0643 0.00000
150 -0.0729 0.00000
151 0.0360 0.00000
152 0.0289 0.00000
153 0.0785 0.00000
154 -0.0258 0.00000
155 -0.0132 0.00000
156 -0.0081 0.00000
157 -0.0013 0.00000
158 0.4271 0.00000
159 0.0722 0.00000
160 0.0657 0.00000
161 0.0314 0.00000
162 0.0232 0.00000
163 0.0907 0.00000
164 -0.0687 0.00000
165 -0.0616 0.00000
166 0.0012 0.00000
167 0.0555 0.00000
168 -0.0294 0.00000
169 0.1114 0.00000
170 -0.0852 0.00000
171 -0.0679 0.00000
172 0.1375 0.00000
173 0.1029 0.00000
174 0.0577 0.00000
175 0.0019 0.00000
176 0.0946 0.00000
177 -0.1473 0.00000
178 -0.0408 0.00000
179 0.0088 0.00000
180 0.0178 0.00000
181 0.1256 0.00000
182 -0.0145 0.00000
183 -0.0334 0.00000
184 0.3092 0.00000
185 -0.1129 0.00000
186 -0.0052 0.00000
187 0.0390 0.00000
188 -0.0186 0.00000
189 0.0274 0.00000
190 0.0191 0.00000
191 0.0086 0.00000
192 0.0204 0.00000
193 0.0996 0.00000
194 -0.0983 0.00000
195 0.9325 0.00000
196 -0.2226 0.00000
197 -0.0058 0.00000
198 0.0013 0.00000
199 -0.1044 0.00000
200 0.0348 0.00000
201 -0.0144 0.00000
202 0.1899 0.00000
203 0.3769 0.00000
204 -0.1893 0.00000
205 0.0572 0.00000
206 -0.1406 0.00000
207 0.0025 0.00000
208 -0.0080 0.00000
209 0.0805 0.00000
210 0.1361 0.00000
211 0.1008 0.00000
212 0.0857 0.00000
213 0.0737 0.00000
214 0.0267 0.00000
215 0.0998 0.00000
216 -0.2282 0.00000
217 -0.0666 0.00000
218 -0.3010 0.00000
219 -0.0209 0.00000
220 -0.1338 0.00000
221 -0.0639 0.00000
222 0.0612 0.00000
223 0.1188 0.00000
224 0.1201 0.00000
225 0.2155 0.00000
226 0.1826 0.00000
227 -0.0066 0.00000
228 0.0069 0.00000
229 -0.1285 0.00000
230 0.0307 0.00000
231 0.0093 0.00000
232 0.0189 0.00000
233 -0.0357 0.00000
234 -0.1883 0.00000
235 0.2068 0.00000
236 -0.0606 0.00000
237 0.0148 0.00000
238 0.2804 0.00000
239 0.0813 0.00000
240 -0.0235 0.00000
241 0.0917 0.00000
242 0.0903 0.00000
243 -0.1392 0.00000
244 0.0009 0.00000
245 0.0230 0.00000
246 -0.0405 0.00000
247 -0.0751 0.00000
248 -0.1049 0.00000
249 -0.0746 0.00000
250 -0.0737 0.00000
251 0.1157 0.00000
252 -0.0510 0.00000
253 -0.1585 0.00000
254 0.0396 0.00000
255 -0.1651 0.00000
256 -0.0753 0.00000
257 -0.0660 0.00000
258 -0.1785 0.00000
259 0.0845 0.00000
260 0.0650 0.00000
261 0.0212 0.00000
262 0.0238 0.00000
263 0.0026 0.00000
264 -0.0180 0.00000
265 -0.0821 0.00000
266 -0.0624 0.00000
267 -0.2242 0.00000
268 -0.0349 0.00000
269 -0.1149 0.00000
270 0.0327 0.00000
271 -0.0538 0.00000
272 -0.0419 0.00000
273 -0.1207 0.00000
274 -0.0765 0.00000
275 -0.1956 0.00000
276 -0.0024 0.00000
277 -0.0218 0.00000
278 -0.0062 0.00000
279 0.0081 0.00000
280 0.0358 0.00000
281 -0.0262 0.00000
282 0.0199 0.00000
283 -0.0879 0.00000
284 -0.1347 0.00000
285 -0.0409 0.00000
286 -0.0206 0.00000
287 0.0230 0.00000
288 -0.0959 0.00000
289 0.1878 0.00000
290 0.0099 0.00000
291 -0.1048 0.00000
292 -0.1020 0.00000
293 -0.0538 0.00000
294 0.0433 0.00000
295 -0.0159 0.00000
296 -0.0461 0.00000
297 0.0487 0.00000
298 -0.0331 0.00000
299 -0.0121 0.00000
300 -0.0189 0.00000
301 0.0186 0.00000
302 -0.0552 0.00000
303 -0.0072 0.00000
304 -0.0684 0.00000
305 -0.0143 0.00000
306 0.1217 0.00000
307 0.0441 0.00000
308 -0.0236 0.00000
309 0.1688 0.00000
310 -0.0298 0.00000
311 -0.1092 0.00000
312 0.0826 0.00000
313 0.1629 0.00000
314 0.0105 0.00000
315 0.0385 0.00000
316 -0.0026 0.00000
317 -0.0212 0.00000
318 0.0484 0.00000
319 0.0669 0.00000
320 -0.0724 0.00000
321 -0.0578 0.00000
322 -0.0795 0.00000
323 0.0593 0.00000
324 -0.0233 0.00000
325 0.0287 0.00000
326 -0.0093 0.00000
327 0.0254 0.00000
328 -0.1323 0.00000
329 0.0421 0.00000
330 0.0533 0.00000
331 0.0153 0.00000
332 -0.0557 0.00000
333 0.0382 0.00000
334 -0.0072 0.00000
335 0.0634 0.00000
336 -0.0741 0.00000
337 0.0396 0.00000
338 -0.0095 0.00000
339 -0.0222 0.00000
340 0.0159 0.00000
341 -0.0528 0.00000
342 -0.0280 0.00000
343 0.0570 0.00000
344 -0.0325 0.00000
345 0.0219 0.00000
346 -0.0344 0.00000
347 0.0114 0.00000
348 0.0306 0.00000
349 -0.0596 0.00000
350 0.0489 0.00000
351 -0.0009 0.00000
352 -0.0567 0.00000
353 -0.0143 0.00000
354 0.1200 0.00000
355 0.0170 0.00000
356 -0.0970 0.00000
357 0.0221 0.00000
358 0.0493 0.00000
359 -0.0346 0.00000
360 -0.0648 0.00000
361 -0.0462 0.00000
362 -0.0390 0.00000
363 0.0063 0.00000
364 -0.0898 0.00000
365 -0.0542 0.00000
366 -0.0221 0.00000
367 0.0143 0.00000
368 -0.0676 0.00000
369 -0.0870 0.00000
370 0.0700 0.00000
371 0.0106 0.00000
372 -0.0290 0.00000
373 0.0302 0.00000
374 0.0428 0.00000
375 -0.0907 0.00000
376 0.0462 0.00000
377 0.0137 0.00000
378 0.0742 0.00000
379 0.1066 0.00000
380 0.0141 0.00000
381 0.0095 0.00000
382 0.0635 0.00000
383 0.0597 0.00000
384 -0.0128 0.00000
385 0.0377 0.00000
386 0.1668 0.00000
387 0.0274 0.00000
388 0.0326 0.00000
389 0.1322 0.00000
390 -0.0302 0.00000
391 -0.0241 0.00000
392 0.0390 0.00000
393 -0.0127 0.00000
394 -0.0192 0.00000
395 0.0931 0.00000
396 0.0527 0.00000
397 0.1716 0.00000
398 -0.1242 0.00000
399 0.1128 0.00000
400 -0.0176 0.00000
401 -0.0329 0.00000
402 0.0172 0.00000
403 0.0084 0.00000
404 -0.1527 0.00000
405 0.1170 0.00000
406 0.0457 0.00000
407 -0.0655 0.00000
408 -0.0241 0.00000
409 -0.0125 0.00000
410 0.1383 0.00000
411 0.1476 0.00000
412 -0.0498 0.00000
413 -0.2368 0.00000
414 0.0304 0.00000
415 0.0242 0.00000
416 0.1239 0.00000
417 0.0142 0.00000
418 0.2164 0.00000
419 0.1755 0.00000
420 0.0899 0.00000
421 -0.0699 0.00000
422 -0.0248 0.00000
423 0.0272 0.00000
424 0.0312 0.00000
425 -0.0355 0.00000
426 0.0235 0.00000
427 0.0024 0.00000
428 0.0738 0.00000
429 -0.0260 0.00000
430 0.0757 0.00000
431 -0.0681 0.00000
432 0.0079 0.00000
433 -0.1077 0.00000
434 0.2757 0.00000
435 0.0277 0.00000
436 0.0049 0.00000
437 -0.0251 0.00000
438 0.0158 0.00000
439 -0.0374 0.00000
440 -0.0575 0.00000
441 0.0685 0.00000
442 -0.0346 0.00000
443 0.0177 0.00000
444 0.2423 0.00000
445 -0.0291 0.00000
446 0.0566 0.00000
447 0.0269 0.00000
448 0.0778 0.00000
449 -0.0384 0.00000
450 0.0052 0.00000
451 -0.0805 0.00000
452 0.2981 0.00000
453 -0.0376 0.00000
454 0.0225 0.00000
455 0.0998 0.00000
456 -0.0445 0.00000
457 0.0087 0.00000
458 0.0132 0.00000
459 -0.0257 0.00000
460 -0.0212 0.00000
461 0.0480 0.00000
462 -0.0309 0.00000
463 -0.1376 0.00000
464 0.0462 0.00000
465 0.0095 0.00000
466 -0.0401 0.00000
467 0.0675 0.00000
468 0.0289 0.00000
469 -0.0676 0.00000
470 0.0086 0.00000
471 0.0093 0.00000
472 -0.0839 0.00000
473 -0.0089 0.00000
474 -0.0863 0.00000
475 0.0234 0.00000
476 0.0556 0.00000
477 -0.0596 0.00000
478 -0.0835 0.00000
479 -0.0020 0.00000
480 -0.1030 0.00000
481 0.0933 0.00000
482 -0.0977 0.00000
483 0.0296 0.00000
484 0.0005 0.00000
485 -0.0009 0.00000
486 -0.0081 0.00000
487 -0.0394 0.00000
488 -0.0166 0.00000
489 0.0535 0.00000
490 -0.0498 0.00000
491 0.0355 0.00000
492 0.0805 0.00000
493 0.0513 0.00000
494 0.2227 0.00000
495 0.0109 0.00000
496 0.0371 0.00000
497 -0.0079 0.00000
498 -0.0337 0.00000
499 -0.0308 0.00000
500 0.1114 0.00000
501 -0.0712 0.00000
502 0.0300 0.00000
503 -0.0499 0.00000
504 0.0379 0.00000
505 -0.0095 0.00000
506 -0.0475 0.00000
507 -0.0567 0.00000
508 0.0266 0.00000
509 -0.0581 0.00000
510 0.0106 0.00000
511 -0.1138 0.00000
512 0.0619 0.00000
513 0.0357 0.00000
514 0.1743 0.00000
515 0.1105 0.00000
516 -0.1080 0.00000
517 -0.0456 0.00000
518 -0.0498 0.00000
519 0.0022 0.00000
520 -0.1140 0.00000
521 0.1049 0.00000
522 -0.0318 0.00000
523 -0.0337 0.00000
524 -0.0313 0.00000
525 -0.0702 0.00000
526 0.0699 0.00000
527 -0.2788 0.00000
528 -0.0494 0.00000
529 -0.0489 0.00000
530 0.0330 0.00000
531 0.0301 0.00000
532 0.0122 0.00000
533 -0.0457 0.00000
534 0.0457 0.00000
535 -0.0138 0.00000
536 -0.0116 0.00000
537 -0.3088 0.00000
538 0.1708 0.00000
539 -0.1326 0.00000
540 -0.0449 0.00000
541 0.0247 0.00000
542 0.0697 0.00000
543 0.0273 0.00000
544 -0.0553 0.00000
545 -0.0289 0.00000
546 -0.0975 0.00000
547 0.1094 0.00000
548 -0.0258 0.00000
549 0.0648 0.00000
550 -0.0233 0.00000
551 0.0305 0.00000
552 0.0205 0.00000
553 -0.0400 0.00000
554 0.0287 0.00000
555 0.0293 0.00000
556 -0.0743 0.00000
557 -0.0768 0.00000
558 0.0860 0.00000
559 0.0160 0.00000
560 0.0618 0.00000
561 0.1848 0.00000
562 0.0093 0.00000
563 -0.1102 0.00000
564 -0.0094 0.00000
565 -0.0060 0.00000
566 0.0509 0.00000
567 -0.0779 0.00000
568 -0.0138 0.00000
569 -0.0086 0.00000
570 0.1221 0.00000
571 -0.0293 0.00000
572 0.0150 0.00000
573 0.0534 0.00000
574 0.2440 0.00000
575 0.0127 0.00000
576 -0.0437 0.00000
577 0.0766 0.00000
578 0.1698 0.00000
579 -0.1181 0.00000
580 0.0567 0.00000
581 0.1202 0.00000
582 0.0921 0.00000
583 -0.0420 0.00000
584 -0.1290 0.00000
585 -0.0921 0.00000
586 -0.0040 0.00000
587 -0.0201 0.00000
588 0.1342 0.00000
589 -0.0624 0.00000
590 0.3503 0.00000
591 0.1554 0.00000
592 0.1518 0.00000
593 0.0466 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0165 0.00000
597 0.0122 0.00000
598 -0.0152 0.00000
599 0.0405 0.00000
600 0.0081 0.00000
601 -0.0121 0.00000
602 -0.0659 0.00000
603 -0.0021 0.00000
604 0.0265 0.00000
605 -0.0868 0.00000
606 -0.0067 0.00000
607 -0.0554 0.00000
608 -0.0031 0.00000
609 -0.0232 0.00000
610 -0.0389 0.00000
611 -0.0771 0.00000
612 0.0431 0.00000
613 -0.0191 0.00000
614 -0.0406 0.00000
615 -0.0410 0.00000
616 -0.0658 0.00000
617 0.0736 0.00000
618 -0.0731 0.00000
619 -0.0275 0.00000
620 -0.1932 0.00000
621 0.0845 0.00000
622 -0.0855 0.00000
623 0.0109 0.00000
624 0.0207 0.00000
625 -0.0362 0.00000
626 0.0455 0.00000
627 -0.0592 0.00000
628 -0.0349 0.00000
629 0.0363 0.00000
630 -0.1058 0.00000
631 -0.0878 0.00000
632 -0.0031 0.00000
633 -0.0346 0.00000
634 -0.0176 0.00000
635 -0.0090 0.00000
636 -0.0256 0.00000
637 -0.0439 0.00000
638 0.0427 0.00000
639 0.0439 0.00000
640 -0.0718 0.00000
641 0.0140 0.00000
642 -0.0078 0.00000
643 -0.0001 0.00000
644 0.0137 0.00000
645 0.0026 0.00000
646 -0.0402 0.00000
647 -0.0002 0.00000
648 -0.0151 0.00000
649 -0.0437 0.00000
650 0.0544 0.00000
651 -0.0801 0.00000
652 -0.0179 0.00000
653 -0.0160 0.00000
654 -0.1224 0.00000
655 -0.0045 0.00000
656 -0.0374 0.00000
657 -0.0353 0.00000
658 -0.0682 0.00000
659 -0.0487 0.00000
660 0.0093 0.00000
661 0.0130 0.00000
662 -0.0438 0.00000
663 0.0034 0.00000
664 -0.0738 0.00000
665 -0.0328 0.00000
666 0.0733 0.00000
667 0.0834 0.00000
668 0.0443 0.00000
669 0.0309 0.00000
670 -0.0436 0.00000
671 0.0249 0.00000
672 0.0024 0.00000
673 0.0296 0.00000
674 -0.0405 0.00000
675 0.0436 0.00000
676 -0.0524 0.00000
677 -0.1137 0.00000
678 -0.1030 0.00000
679 -0.0115 0.00000
680 -0.0119 0.00000
681 -0.0807 0.00000
682 0.0694 0.00000
683 0.0376 0.00000
684 -0.0639 0.00000
685 -0.0694 0.00000
686 -0.0064 0.00000
687 -0.0618 0.00000
688 -0.0370 0.00000
689 0.0133 0.00000
690 -0.0202 0.00000
691 -0.0032 0.00000
692 -0.0554 0.00000
693 -0.0099 0.00000
694 -0.0231 0.00000
695 0.0237 0.00000
696 -0.0313 0.00000
697 0.0117 0.00000
698 0.0269 0.00000
699 -0.0405 0.00000
700 0.0065 0.00000
701 0.0374 0.00000
702 0.0212 0.00000
703 -0.0536 0.00000
704 0.0202 0.00000
705 0.0223 0.00000
706 0.0021 0.00000
707 0.0400 0.00000
708 -0.0657 0.00000
709 0.0015 0.00000
710 -0.0156 0.00000
711 0.0044 0.00000
712 -0.0455 0.00000
713 -0.0094 0.00000
714 0.0219 0.00000
715 -0.0524 0.00000
716 -0.0509 0.00000
717 -0.1084 0.00000
718 0.0602 0.00000
719 0.0660 0.00000
720 -0.0848 0.00000
721 0.0110 0.00000
722 -0.0048 0.00000
723 -0.0261 0.00000
724 -0.0406 0.00000
725 -0.0264 0.00000
726 -0.0496 0.00000
727 -0.0349 0.00000
728 0.0332 0.00000
729 0.0055 0.00000
730 -0.0837 0.00000
731 -0.0169 0.00000
732 0.0524 0.00000
733 -0.0586 0.00000
734 -0.0660 0.00000
735 -0.0158 0.00000
736 -0.0140 0.00000
737 0.0443 0.00000
738 -0.0391 0.00000
739 -0.0270 0.00000
740 0.0272 0.00000
741 -0.0144 0.00000
742 0.0015 0.00000
743 0.0106 0.00000
744 -0.0335 0.00000
745 0.0128 0.00000
746 -0.0137 0.00000
747 -0.0144 0.00000
748 -0.0244 0.00000
749 -0.0400 0.00000
750 -0.1204 0.00000
751 -0.0025 0.00000
752 0.0151 0.00000
753 -0.0296 0.00000
754 0.0030 0.00000
755 -0.0051 0.00000
756 0.0154 0.00000
757 0.0351 0.00000
758 -0.0541 0.00000
759 -0.0099 0.00000
760 0.0374 0.00000
761 0.0316 0.00000
762 -0.0327 0.00000
763 0.0270 0.00000
764 0.0055 0.00000
765 0.0672 0.00000
766 -0.0296 0.00000
767 0.0495 0.00000
768 -0.0859 0.00000
769 -0.0270 0.00000
770 -0.0548 0.00000
771 0.0677 0.00000
772 0.0668 0.00000
773 0.0394 0.00000
774 -0.0204 0.00000
775 -0.0187 0.00000
776 -0.1017 0.00000
777 -0.0388 0.00000
778 0.0099 0.00000
779 0.0050 0.00000
780 0.0298 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0073 0.00000
3 -0.0690 0.00000
4 -0.1446 0.00000
5 -0.1740 0.00000
6 -0.0674 0.00000
7 -0.0365 0.00000
8 -0.0102 0.00000
9 -0.1603 0.00000
10 0.0049 0.00000
11 0.0231 0.00000
12 0.0344 0.00000
13 0.0283 0.00000
14 -0.0534 0.00000
15 -0.0793 0.00000
16 0.1419 0.00000
17 0.0762 0.00000
18 -0.0021 0.00000
19 0.0441 0.00000
20 -0.0527 0.00000
21 -0.1379 0.00000
22 0.0458 0.00000
23 -0.0249 0.00000
24 0.1553 0.00000
25 0.0794 0.00000
26 0.8236 0.00000
27 0.1900 0.00000
28 -0.0364 0.00000
29 0.1175 0.00000
30 0.8150 0.00000
31 0.0879 0.00000
32 0.0171 0.00000
33 -0.0811 0.00000
34 -0.2160 0.00000
35 -0.0499 0.00000
36 0.0586 0.00000
37 -0.0133 0.00000
38 -0.0136 0.00000
39 0.0941 0.00000
40 -0.1406 0.00000
41 -0.1075 0.00000
42 0.0495 0.00000
43 -0.3138 0.00000
44 -0.1965 0.00000
45 0.0184 0.00000
46 0.0947 0.00000
47 0.2764 0.00000
48 0.0265 0.00000
49 0.1724 0.00000
50 0.1627 0.00000
51 0.0950 0.00000
52 -0.0573 0.00000
53 0.0428 0.00000
54 0.0643 0.00000
55 -0.1345 0.00000
56 0.4426 0.00000
57 -0.2196 0.00000
58 -0.1173 0.00000
59 -0.0347 0.00000
60 0.7073 0.00000
61 0.0666 0.00000
62 0.0095 0.00000
63 0.2583 0.00000
64 0.6040 0.00000
65 -0.1946 0.00000
66 -0.1611 0.00000
67 0.0874 0.00000
68 0.5684 0.00000
69 -0.0207 0.00000
70 -0.3845 0.00000
71 -0.0169 0.00000
72 0.0005 0.00000
73 0.0284 0.00000
74 -0.0159 0.00000
75 -0.0360 0.00000
76 0.1619 0.00000
77 0.0866 0.00000
78 -0.0843 0.00000
79 0.3231 0.00000
80 0.1496 0.00000
81 -0.5256 0.00000
82 0.0658 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0379 0.00000
90 -0.1431 0.00000
91 -0.0314 0.00000
92 -0.0348 0.00000
93 0.0351 0.00000
94 0.3281 0.00000
95 0.2693 0.00000
96 0.2470 0.00000
97 -0.1261 0.00000
98 -0.1969 0.00000
99 -0.1376 0.00000
100 0.1976 0.00000
101 -0.2108 0.00000
102 -0.2781 0.00000
103 -0.1749 0.00000
104 0.1132 0.00000
105 -0.0991 0.00000
106 -0.0784 0.00000
107 0.0679 0.00000
108 -1.1061 0.00000
109 -0.2630 0.00000
110 -0.0369 0.00000
111 0.0298 0.00000
112 -0.0428 0.00000
113 0.0839 0.00000
114 -0.2581 0.00000
115 -0.1671 0.00000
116 0.0897 0.00000
117 -0.1685 0.00000
118 0.1029 0.00000
119 0.0386 0.00000
120 -0.0352 0.00000
121 -0.1481 0.00000
122 -0.2182 0.00000
123 -0.0015 0.00000
124 0.3654 0.00000
125 -0.0177 0.00000
126 -0.2679 0.00000
127 0.0875 0.00000
128 -0.0080 0.00000
129 0.3691 0.00000
130 -0.0949 0.00000
131 -0.0105 0.00000
132 0.1230 0.00000
133 -0.1566 0.00000
134 -0.1595 0.00000
135 0.0074 0.00000
136 -0.1709 0.00000
137 0.1897 0.00000
138 -0.4548 0.00000
139 -0.1439 0.00000
140 0.0144 0.00000
141 -0.1115 0.00000
142 0.2638 0.00000
143 -0.0454 0.00000
144 0.0549 0.00000
145 0.1330 0.00000
146 0.3030 0.00000
147 0.1255 0.00000
148 -0.0255 0.00000
149 -0.0678 0.00000
150 -0.0698 0.00000
151 0.0391 0.00000
152 -0.0126 0.00000
153 0.1175 0.00000
154 -0.0271 0.00000
155 -0.0073 0.00000
156 -0.0103 0.00000
157 0.0149 0.00000
158 0.3505 0.00000
159 0.0832 0.00000
160 0.1474 0.00000
161 0.0673 0.00000
162 0.0666 0.00000
163 -0.0648 0.00000
164 -0.0204 0.00000
165 -0.1057 0.00000
166 -0.0566 0.00000
167 -0.0102 0.00000
168 0.1591 0.00000
169 -0.0198 0.00000
170 0.0365 0.00000
171 -0.0372 0.00000
172 -0.0166 0.00000
173 0.3148 0.00000
174 -0.0085 0.00000
175 -0.0144 0.00000
176 0.0542 0.00000
177 -0.1144 0.00000
178 -0.0174 0.00000
179 0.0126 0.00000
180 -0.1170 0.00000
181 0.0526 0.00000
182 -0.1017 0.00000
183 0.3584 0.00000
184 0.1187 0.00000
185 -0.0843 0.00000
186 0.0253 0.00000
187 0.1197 0.00000
188 -0.0637 0.00000
189 0.0070 0.00000
190 0.0142 0.00000
191 -0.0108 0.00000
192 0.0379 0.00000
193 -0.0397 0.00000
194 -0.2459 0.00000
195 1.3028 0.00000
196 -0.1628 0.00000
197 -0.1031 0.00000
198 -0.0846 0.00000
199 -0.0960 0.00000
200 0.0254 0.00000
201 -0.0344 0.00000
202 -0.0163 0.00000
203 0.6355 0.00000
204 -0.0816 0.00000
205 0.0037 0.00000
206 -0.1939 0.00000
207 0.0058 0.00000
208 0.0515 0.00000
209 0.0184 0.00000
210 0.1080 0.00000
211 0.2177 0.00000
212 0.0367 0.00000
213 -0.0505 0.00000
214 0.0756 0.00000
215 0.1363 0.00000
216 -0.0137 0.00000
217 -0.3121 0.00000
218 -0.2962 0.00000
219 -0.1007 0.00000
220 -0.0320 0.00000
221 -0.1399 0.00000
222 0.0632 0.00000
223 0.0231 0.00000
224 0.1139 0.00000
225 0.6548 0.00000
226 -0.0851 0.00000
227 -0.0297 0.00000
228 0.0203 0.00000
229 -0.1330 0.00000
230 0.0235 0.00000
231 0.0091 0.00000
232 -0.0028 0.00000
233 -0.0139 0.00000
234 -0.1610 0.00000
235 0.1852 0.00000
236 0.1300 0.00000
237 -0.0552 0.00000
238 0.1426 0.00000
239 0.0960 0.00000
240 -0.0426 0.00000
241 0.1480 0.00000
242 -0.0327 0.00000
243 -0.0684 0.00000
244 0.0165 0.00000
245 0.0154 0.00000
246 -0.0361 0.00000
247 -0.0344 0.00000
248 -0.2274 0.00000
249 -0.0432 0.00000
250 -0.0530 0.00000
251 -0.0250 0.00000
252 0.2423 0.00000
253 -0.1955 0.00000
254 -0.1261 0.00000
255 0.0119 0.00000
256 -0.1773 0.00000
257 -0.0153 0.00000
258 -0.0931 0.00000
259 0.0639 0.00000
260 -0.0297 0.00000
261 -0.0104 0.00000
262 -0.0605 0.00000
263 -0.1561 0.00000
264 0.0667 0.00000
265 0.0085 0.00000
266 -0.0517 0.00000
267 0.0156 0.00000
268 0.0963 0.00000
269 0.0159 0.00000
270 -0.0619 0.00000
271 -0.0635 0.00000
272 -0.1649 0.00000
273 0.0245 0.00000
274 -0.2936 0.00000
275 -0.0452 0.00000
276 -0.2527 0.00000
277 -0.1492 0.00000
278 -0.0340 0.00000
279 0.0006 0.00000
280 -0.1226 0.00000
281 0.0089 0.00000
282 0.0291 0.00000
283 0.0708 0.00000
284 -0.0080 0.00000
285 0.0087 0.00000
286 -0.1597 0.00000
287 -0.0326 0.00000
288 0.0540 0.00000
289 -0.0328 0.00000
290 -0.0386 0.00000
291 -0.0838 0.00000
292 -0.0310 0.00000
293 0.0797 0.00000
294 -0.0054 0.00000
295 -0.0401 0.00000
296 0.0925 0.00000
297 -0.0082 0.00000
298 -0.1367 0.00000
299 0.0153 0.00000
300 -0.0002 0.00000
301 -0.0823 0.00000
302 -0.0196 0.00000
303 -0.0392 0.00000
304 0.0147 0.00000
305 0.0785 0.00000
306 0.0241 0.00000
307 -0.0128 0.00000
308 0.0405 0.00000
309 0.0616 0.00000
310 0.0661 0.00000
311 -0.0215 0.00000
312 0.0903 0.00000
313 0.0801 0.00000
314 0.2418 0.00000
315 -0.0146 0.00000
316 -0.0315 0.00000
317 0.0419 0.00000
318 -0.0177 0.00000
319 -0.0724 0.00000
320 -0.0539 0.00000
321 0.1283 0.00000
322 -0.1999 0.00000
323 0.1182 0.00000
324 -0.0407 0.00000
325 0.0684 0.00000
326 -0.0106 0.00000
327 -0.1367 0.00000
328 -0.0293 0.00000
329 0.0616 0.00000
330 -0.0513 0.00000
331 -0.0685 0.00000
332 0.0438 0.00000
333 -0.0125 0.00000
334 0.0732 0.00000
335 0.0023 0.00000
336 -0.0171 0.00000
337 -0.0103 0.00000
338 0.0301 0.00000
339 -0.0744 0.00000
340 0.0572 0.00000
341 -0.0269 0.00000
342 -0.0677 0.00000
343 0.0198 0.00000
344 0.0387 0.00000
345 -0.0149 0.00000
346 0.0158 0.00000
347 0.0440 0.00000
348 0.0206 0.00000
349 0.0455 0.00000
350 -0.0531 0.00000
351 -0.0117 0.00000
352 0.1430 0.00000
353 -0.0115 0.00000
354 -0.0088 0.00000
355 -0.0499 0.00000
356 0.0709 0.00000
357 -0.0331 0.00000
358 0.0402 0.00000
359 -0.0733 0.00000
360 -0.0886 0.00000
361 -0.0780 0.00000
362 -0.0923 0.00000
363 -0.0329 0.00000
364 -0.0558 0.00000
365 -0.0208 0.00000
366 0.0449 0.00000
367 -0.0639 0.00000
368 -0.0475 0.00000
369 0.0954 0.00000
370 0.0356 0.00000
371 -0.1313 0.00000
372 -0.0431 0.00000
373 0.0842 0.00000
374 -0.0009 0.00000
375 -0.0222 0.00000
376 -0.0485 0.00000
377 0.1317 0.00000
378 0.0559 0.00000
379 0.0391 0.00000
380 0.1229 0.00000
381 -0.0854 0.00000
382 -0.0143 0.00000
383 -0.0328 0.00000
384 0.0269 0.00000
385 0.1957 0.00000
386 -0.0968 0.00000
387 0.1017 0.00000
388 0.1841 0.00000
389 0.0057 0.00000
390 0.0214 0.00000
391 -0.0364 0.00000
392 0.1016 0.00000
393 -0.0798 0.00000
394 0.0266 0.00000
395 0.0024 0.00000
396 0.1830 0.00000
397 0.0482 0.00000
398 -0.0098 0.00000
399 -0.0575 0.00000
400 -0.0201 0.00000
401 -0.0826 0.00000
402 0.0086 0.00000
403 -0.0504 0.00000
404 0.0206 0.00000
405 0.0342 0.00000
406 0.0392 0.00000
407 0.0844 0.00000
408 0.2151 0.00000
409 0.0008 0.00000
410 0.0501 0.00000
411 0.0587 0.00000
412 -0.0770 0.00000
413 -0.0308 0.00000
414 -0.1601 0.00000
415 -0.0585 0.00000
416 0.0620 0.00000
417 0.0395 0.00000
418 0.0208 0.00000
419 0.3450 0.00000
420 0.0565 0.00000
421 0.0730 0.00000
422 0.0765 0.00000
423 -0.0827 0.00000
424 0.0571 0.00000
425 0.0022 0.00000
426 0.0345 0.00000
427 0.0481 0.00000
428 -0.0488 0.00000
429 -0.1368 0.00000
430 0.0739 0.00000
431 0.0305 0.00000
432 -0.0994 0.00000
433 0.0494 0.00000
434 0.0084 0.00000
435 0.0383 0.00000
436 0.0250 0.00000
437 -0.0620 0.00000
438 0.0442 0.00000
439 0.0202 0.00000
440 0.2530 0.00000
441 -0.0274 0.00000
442 -0.0632 0.00000
443 0.0407 0.00000
444 0.0935 0.00000
445 0.0398 0.00000
446 0.0795 0.00000
447 -0.0304 0.00000
448 -0.0112 0.00000
449 0.2267 0.00000
450 -0.0139 0.00000
451 0.0320 0.00000
452 -0.0859 0.00000
453 0.0192 0.00000
454 -0.0836 0.00000
455 0.1911 0.00000
456 -0.0086 0.00000
457 0.0832 0.00000
458 0.0214 0.00000
459 0.0313 0.00000
460 -0.0864 0.00000
461 0.1437 0.00000
462 -0.0506 0.00000
463 0.0103 0.00000
464 0.0722 0.00000
465 -0.0391 0.00000
466 -0.0310 0.00000
467 -0.0398 0.00000
468 0.0008 0.00000
469 0.0240 0.00000
470 -0.1025 0.00000
471 -0.0089 0.00000
472 -0.0417 0.00000
473 0.0442 0.00000
474 0.0797 0.00000
475 -0.0098 0.00000
476 -0.0321 0.00000
477 -0.0526 0.00000
478 -0.1935 0.00000
479 0.0538 0.00000
480 0.0743 0.00000
481 -0.0287 0.00000
482 -0.0649 0.00000
483 -0.0402 0.00000
484 -0.0181 0.00000
485 0.0825 0.00000
486 -0.1975 0.00000
487 -0.0272 0.00000
488 0.0224 0.00000
489 -0.0330 0.00000
490 0.0170 0.00000
491 0.0413 0.00000
492 -0.0013 0.00000
493 -0.0081 0.00000
494 0.0292 0.00000
495 0.0346 0.00000
496 0.2703 0.00000
497 0.0043 0.00000
498 0.0366 0.00000
499 -0.0822 0.00000
500 0.0393 0.00000
501 -0.0065 0.00000
502 0.0435 0.00000
503 -0.0280 0.00000
504 -0.1167 0.00000
505 0.0255 0.00000
506 -0.0575 0.00000
507 -0.0682 0.00000
508 0.0248 0.00000
509 -0.0347 0.00000
510 -0.0109 0.00000
511 -0.0221 0.00000
512 0.0502 0.00000
513 0.1616 0.00000
514 -0.0010 0.00000
515 0.0878 0.00000
516 -0.1306 0.00000
517 -0.0356 0.00000
518 -0.1264 0.00000
519 -0.0569 0.00000
520 0.0542 0.00000
521 0.0578 0.00000
522 0.0280 0.00000
523 0.0766 0.00000
524 -0.0917 0.00000
525 -0.0060 0.00000
526 0.0522 0.00000
527 0.1919 0.00000
528 -0.1208 0.00000
529 -0.0050 0.00000
530 0.0231 0.00000
531 -0.1416 0.00000
532 -0.0269 0.00000
533 -0.1527 0.00000
534 -0.0828 0.00000
535 -0.0010 0.00000
536 -0.0485 0.00000
537 0.1031 0.00000
538 0.0325 0.00000
539 -0.3142 0.00000
540 -0.0049 0.00000
541 -0.0372 0.00000
542 0.0497 0.00000
543 -0.1541 0.00000
544 0.0899 0.00000
545 0.1567 0.00000
546 -0.0376 0.00000
547 0.0411 0.00000
548 0.0152 0.00000
549 -0.1931 0.00000
550 0.0428 0.00000
551 0.0913 0.00000
552 0.0002 0.00000
553 -0.0301 0.00000
554 -0.0378 0.00000
555 0.0538 0.00000
556 -0.0587 0.00000
557 -0.0435 0.00000
558 -0.0078 0.00000
559 0.1306 0.00000
560 -0.0404 0.00000
561 -0.0442 0.00000
562 0.1331 0.00000
563 0.1317 0.00000
564 -0.0287 0.00000
565 -0.1288 0.00000
566 -0.0201 0.00000
567 0.0568 0.00000
568 0.0152 0.00000
569 0.0119 0.00000
570 0.0009 0.00000
571 -0.0306 0.00000
572 0.0103 0.00000
573 0.0356 0.00000
574 -0.0737 0.00000
575 0.2716 0.00000
576 -0.0853 0.00000
577 0.0170 0.00000
578 0.3278 0.00000
579 0.0672 0.00000
580 -0.1585 0.00000
581 0.1038 0.00000
582 0.0882 0.00000
583 0.0722 0.00000
584 -0.4381 0.00000
585 0.1065 0.00000
586 0.0883 0.00000
587 -0.0159 0.00000
588 0.1394 0.00000
589 -0.0632 0.00000
590 0.4435 0.00000
591 0.0563 0.00000
592 0.1747 0.00000
593 0.0385 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0165 0.00000
597 0.0121 0.00000
598 -0.0342 0.00000
599 0.0569 0.00000
600 0.0108 0.00000
601 -0.0018 0.00000
602 -0.0100 0.00000
603 -0.0140 0.00000
604 -0.0773 0.00000
605 0.0198 0.00000
606 -0.0262 0.00000
607 -0.0650 0.00000
608 -0.0738 0.00000
609 -0.0446 0.00000
610 -0.0862 0.00000
611 -0.0361 0.00000
612 0.0858 0.00000
613 -0.0385 0.00000
614 -0.0832 0.00000
615 -0.0579 0.00000
616 -0.0921 0.00000
617 0.0536 0.00000
618 0.0089 0.00000
619 -0.0219 0.00000
620 0.0473 0.00000
621 -0.0130 0.00000
622 0.0152 0.00000
623 0.0158 0.00000
624 -0.1145 0.00000
625 -0.0602 0.00000
626 0.0266 0.00000
627 -0.0721 0.00000
628 -0.0148 0.00000
629 0.0156 0.00000
630 -0.1604 0.00000
631 -0.0027 0.00000
632 -0.0386 0.00000
633 -0.0652 0.00000
634 -0.0105 0.00000
635 0.0579 0.00000
636 -0.0465 0.00000
637 0.0109 0.00000
638 0.0344 0.00000
639 0.0114 0.00000
640 -0.0109 0.00000
641 -0.0987 0.00000
642 0.0059 0.00000
643 0.0410 0.00000
644 0.0193 0.00000
645 -0.0052 0.00000
646 0.0042 0.00000
647 -0.0187 0.00000
648 -0.0798 0.00000
649 0.0537 0.00000
650 -0.0084 0.00000
651 -0.0183 0.00000
652 -0.0054 0.00000
653 -0.0294 0.00000
654 -0.0702 0.00000
655 0.0074 0.00000
656 -0.1009 0.00000
657 0.0175 0.00000
658 -0.0069 0.00000
659 -0.0418 0.00000
660 -0.0296 0.00000
661 -0.0263 0.00000
662 -0.0655 0.00000
663 -0.0269 0.00000
664 -0.0295 0.00000
665 0.0043 0.00000
666 -0.0457 0.00000
667 -0.0567 0.00000
668 0.0036 0.00000
669 -0.0499 0.00000
670 0.0459 0.00000
671 -0.1825 0.00000
672 -0.0230 0.00000
673 0.0575 0.00000
674 0.0178 0.00000
675 -0.0444 0.00000
676 0.0399 0.00000
677 -0.0214 0.00000
678 0.0003 0.00000
679 -0.0222 0.00000
680 0.0059 0.00000
681 -0.0358 0.00000
682 -0.0050 0.00000
683 -0.0402 0.00000
684 0.0568 0.00000
685 0.0648 0.00000
686 0.0043 0.00000
687 -0.0023 0.00000
688 -0.0981 0.00000
689 -0.0449 0.00000
690 -0.0248 0.00000
691 0.0491 0.00000
692 0.0320 0.00000
693 -0.0256 0.00000
694 0.0082 0.00000
695 0.0138 0.00000
696 0.0132 0.00000
697 -0.0877 0.00000
698 -0.0004 0.00000
699 -0.0431 0.00000
700 0.0083 0.00000
701 -0.0356 0.00000
702 -0.0273 0.00000
703 0.0372 0.00000
704 0.0003 0.00000
705 0.0070 0.00000
706 0.0107 0.00000
707 0.0093 0.00000
708 -0.0114 0.00000
709 0.0278 0.00000
710 -0.0155 0.00000
711 -0.0194 0.00000
712 0.0393 0.00000
713 -0.0617 0.00000
714 0.0038 0.00000
715 -0.1171 0.00000
716 0.0162 0.00000
717 0.0248 0.00000
718 -0.0021 0.00000
719 -0.0390 0.00000
720 -0.0151 0.00000
721 -0.0186 0.00000
722 -0.0447 0.00000
723 -0.0067 0.00000
724 -0.0015 0.00000
725 -0.0320 0.00000
726 0.0352 0.00000
727 -0.0392 0.00000
728 -0.0276 0.00000
729 -0.0252 0.00000
730 0.0311 0.00000
731 -0.0207 0.00000
732 -0.0199 0.00000
733 0.0249 0.00000
734 0.0040 0.00000
735 -0.0604 0.00000
736 -0.0723 0.00000
737 -0.1051 0.00000
738 -0.0099 0.00000
739 -0.0746 0.00000
740 -0.0139 0.00000
741 -0.0193 0.00000
742 -0.0654 0.00000
743 -0.1257 0.00000
744 0.0227 0.00000
745 -0.0243 0.00000
746 0.1282 0.00000
747 -0.0434 0.00000
748 -0.0546 0.00000
749 -0.0245 0.00000
750 0.0211 0.00000
751 -0.0177 0.00000
752 -0.0415 0.00000
753 0.0000 0.00000
754 0.1143 0.00000
755 -0.0006 0.00000
756 0.0173 0.00000
757 -0.0280 0.00000
758 -0.0308 0.00000
759 -0.0147 0.00000
760 -0.0273 0.00000
761 0.0347 0.00000
762 0.0001 0.00000
763 0.0233 0.00000
764 -0.0037 0.00000
765 0.0098 0.00000
766 -0.0793 0.00000
767 -0.0473 0.00000
768 -0.1283 0.00000
769 0.1071 0.00000
770 0.0158 0.00000
771 -0.0228 0.00000
772 0.0061 0.00000
773 0.0071 0.00000
774 -0.1331 0.00000
775 -0.0055 0.00000
776 0.0570 0.00000
777 -0.0394 0.00000
778 0.0195 0.00000
779 0.0867 0.00000
780 0.0503 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0072 0.00000
3 -0.0690 0.00000
4 -0.1453 0.00000
5 -0.1730 0.00000
6 -0.0676 0.00000
7 -0.0367 0.00000
8 -0.0106 0.00000
9 -0.1599 0.00000
10 0.0052 0.00000
11 0.0234 0.00000
12 0.0342 0.00000
13 0.0284 0.00000
14 -0.0536 0.00000
15 -0.0793 0.00000
16 0.1900 0.00000
17 0.0048 0.00000
18 0.0226 0.00000
19 0.0603 0.00000
20 -0.0691 0.00000
21 -0.1383 0.00000
22 0.0372 0.00000
23 -0.0416 0.00000
24 0.1670 0.00000
25 0.1671 0.00000
26 0.5521 0.00000
27 0.3853 0.00000
28 -0.0388 0.00000
29 0.0406 0.00000
30 0.8297 0.00000
31 0.1529 0.00000
32 0.0221 0.00000
33 -0.1282 0.00000
34 -0.1893 0.00000
35 -0.0272 0.00000
36 0.0417 0.00000
37 0.0180 0.00000
38 -0.0109 0.00000
39 -0.1293 0.00000
40 0.0652 0.00000
41 -0.1083 0.00000
42 0.0420 0.00000
43 -0.3191 0.00000
44 -0.1332 0.00000
45 -0.0130 0.00000
46 0.3005 0.00000
47 0.0674 0.00000
48 0.0573 0.00000
49 0.0369 0.00000
50 0.0954 0.00000
51 -0.0050 0.00000
52 0.2653 0.00000
53 0.0201 0.00000
54 0.0096 0.00000
55 -0.0464 0.00000
56 0.3565 0.00000
57 -0.2203 0.00000
58 -0.0596 0.00000
59 -0.0235 0.00000
60 0.7425 0.00000
61 -0.1916 0.00000
62 0.4154 0.00000
63 0.3618 0.00000
64 0.1148 0.00000
65 0.0041 0.00000
66 -0.1582 0.00000
67 -0.0709 0.00000
68 0.6642 0.00000
69 -0.0116 0.00000
70 -0.0260 0.00000
71 -0.3862 0.00000
72 0.0009 0.00000
73 0.0243 0.00000
74 -0.0256 0.00000
75 0.0242 0.00000
76 0.1091 0.00000
77 0.0999 0.00000
78 -0.0539 0.00000
79 0.2858 0.00000
80 0.1483 0.00000
81 -0.5240 0.00000
82 0.0659 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0371 0.00000
90 -0.1430 0.00000
91 -0.0331 0.00000
92 -0.0179 0.00000
93 -0.0138 0.00000
94 0.3476 0.00000
95 0.2344 0.00000
96 0.3159 0.00000
97 -0.1153 0.00000
98 -0.1704 0.00000
99 -0.2441 0.00000
100 0.2435 0.00000
101 -0.2380 0.00000
102 -0.2380 0.00000
103 -0.1938 0.00000
104 0.1240 0.00000
105 -0.1097 0.00000
106 -0.1238 0.00000
107 -0.0784 0.00000
108 -0.8172 0.00000
109 -0.2696 0.00000
110 0.1334 0.00000
111 -0.2211 0.00000
112 0.0544 0.00000
113 -0.0466 0.00000
114 -0.1596 0.00000
115 -0.2696 0.00000
116 0.0951 0.00000
117 -0.1446 0.00000
118 0.1264 0.00000
119 -0.0030 0.00000
120 0.0172 0.00000
121 -0.1810 0.00000
122 -0.2027 0.00000
123 -0.2106 0.00000
124 0.5595 0.00000
125 0.0108 0.00000
126 -0.2694 0.00000
127 0.1392 0.00000
128 -0.0709 0.00000
129 0.3820 0.00000
130 -0.1262 0.00000
131 -0.0013 0.00000
132 0.0024 0.00000
133 -0.0379 0.00000
134 -0.1524 0.00000
135 0.0069 0.00000
136 -0.2010 0.00000
137 0.2149 0.00000
138 -0.4435 0.00000
139 -0.1380 0.00000
140 -0.0234 0.00000
141 -0.1116 0.00000
142 0.2574 0.00000
143 -0.0181 0.00000
144 0.0584 0.00000
145 0.1252 0.00000
146 0.3032 0.00000
147 0.1290 0.00000
148 -0.0277 0.00000
149 -0.0777 0.00000
150 -0.0436 0.00000
151 0.0668 0.00000
152 -0.0190 0.00000
153 0.0325 0.00000
154 -0.0458 0.00000
155 -0.0075 0.00000
156 0.0081 0.00000
157 0.3099 0.00000
158 0.1111 0.00000
159 0.0867 0.00000
160 0.0170 0.00000
161 0.0710 0.00000
162 0.1570 0.00000
163 -0.1170 0.00000
164 -0.0944 0.00000
165 0.0294 0.00000
166 0.1831 0.00000
167 -0.1489 0.00000
168 0.1532 0.00000
169 -0.0455 0.00000
170 0.1262 0.00000
171 0.0021 0.00000
172 0.0093 0.00000
173 -0.0752 0.00000
174 -0.0184 0.00000
175 0.1146 0.00000
176 -0.0773 0.00000
177 0.0602 0.00000
178 0.0663 0.00000
179 0.0240 0.00000
180 -0.0601 0.00000
181 -0.0762 0.00000
182 0.0746 0.00000
183 -0.0105 0.00000
184 0.2740 0.00000
185 -0.0819 0.00000
186 0.0560 0.00000
187 0.0099 0.00000
188 0.0682 0.00000
189 0.1472 0.00000
190 -0.1087 0.00000
191 0.0435 0.00000
192 -0.0175 0.00000
193 0.0076 0.00000
194 0.0725 0.00000
195 0.7604 0.00000
196 -0.1305 0.00000
197 -0.0407 0.00000
198 -0.1594 0.00000
199 -0.1622 0.00000
200 0.1546 0.00000
201 0.4502 0.00000
202 0.0325 0.00000
203 0.0504 0.00000
204 0.0072 0.00000
205 -0.2206 0.00000
206 -0.0276 0.00000
207 0.0577 0.00000
208 0.0798 0.00000
209 0.0532 0.00000
210 0.0474 0.00000
211 0.1197 0.00000
212 0.1154 0.00000
213 0.0521 0.00000
214 0.1221 0.00000
215 0.0327 0.00000
216 -0.3537 0.00000
217 -0.3013 0.00000
218 -0.0271 0.00000
219 -0.0274 0.00000
220 -0.0490 0.00000
221 -0.0297 0.00000
222 0.0381 0.00000
223 0.0621 0.00000
224 0.2075 0.00000
225 0.2362 0.00000
226 0.1001 0.00000
227 0.0012 0.00000
228 0.0094 0.00000
229 -0.1199 0.00000
230 0.0268 0.00000
231 0.0099 0.00000
232 0.0248 0.00000
233 -0.0432 0.00000
234 -0.1898 0.00000
235 0.1718 0.00000
236 0.0718 0.00000
237 0.2511 0.00000
238 -0.0164 0.00000
239 0.0472 0.00000
240 -0.0506 0.00000
241 0.0969 0.00000
242 0.0962 0.00000
243 -0.0943 0.00000
244 0.0095 0.00000
245 0.0366 0.00000
246 -0.0835 0.00000
247 -0.0951 0.00000
248 -0.1117 0.00000
249 -0.0482 0.00000
250 -0.0731 0.00000
251 -0.0900 0.00000
252 0.3648 0.00000
253 -0.4572 0.00000
254 -0.0777 0.00000
255 -0.0683 0.00000
256 -0.0687 0.00000
257 0.0100 0.00000
258 -0.0521 0.00000
259 0.0319 0.00000
260 0.0871 0.00000
261 -0.1692 0.00000
262 -0.0089 0.00000
263 0.0445 0.00000
264 -0.0236 0.00000
265 0.0071 0.00000
266 -0.0118 0.00000
267 -0.0588 0.00000
268 -0.3444 0.00000
269 0.0031 0.00000
270 0.0303 0.00000
271 -0.0108 0.00000
272 -0.0408 0.00000
273 -0.0513 0.00000
274 -0.2050 0.00000
275 -0.1370 0.00000
276 -0.0020 0.00000
277 -0.0148 0.00000
278 -0.0451 0.00000
279 -0.0556 0.00000
280 -0.0178 0.00000
281 -0.0411 0.00000
282 -0.0132 0.00000
283 0.0959 0.00000
284 -0.1322 0.00000
285 -0.1686 0.00000
286 0.0711 0.00000
287 0.0593 0.00000
288 -0.0376 0.00000
289 -0.0658 0.00000
290 -0.0005 0.00000
291 0.0587 0.00000
292 -0.0605 0.00000
293 -0.0003 0.00000
294 0.0503 0.00000
295 -0.1410 0.00000
296 0.0387 0.00000
297 -0.0274 0.00000
298 0.0042 0.00000
299 -0.0458 0.00000
300 -0.0339 0.00000
301 0.1006 0.00000
302 -0.1234 0.00000
303 -0.0437 0.00000
304 -0.0359 0.00000
305 0.1745 0.00000
306 -0.0331 0.00000
307 0.0671 0.00000
308 -0.0130 0.00000
309 0.1324 0.00000
310 0.0846 0.00000
311 -0.1437 0.00000
312 0.0853 0.00000
313 0.0654 0.00000
314 0.0452 0.00000
315 -0.0154 0.00000
316 -0.0571 0.00000
317 0.0311 0.00000
318 0.0765 0.00000
319 -0.0132 0.00000
320 -0.0338 0.00000
321 -0.1019 0.00000
322 -0.1209 0.00000
323 0.0122 0.00000
324 0.0120 0.00000
325 0.1533 0.00000
326 0.0651 0.00000
327 0.0545 0.00000
328 -0.0726 0.00000
329 0.0081 0.00000
330 0.0174 0.00000
331 -0.0021 0.00000
332 -0.0172 0.00000
333 0.0066 0.00000
334 -0.0054 0.00000
335 -0.1290 0.00000
336 -0.0221 0.00000
337 0.0864 0.00000
338 0.0262 0.00000
339 0.0165 0.00000
340 -0.0437 0.00000
341 -0.1199 0.00000
342 -0.0081 0.00000
343 0.0741 0.00000
344 -0.0742 0.00000
345 0.0216 0.00000
346 0.0210 0.00000
347 0.0304 0.00000
348 -0.1325 0.00000
349 0.0869 0.00000
350 0.0038 0.00000
351 0.0221 0.00000
352 -0.0371 0.00000
353 -0.0498 0.00000
354 0.0155 0.00000
355 0.0594 0.00000
356 0.0075 0.00000
357 0.0363 0.00000
358 -0.0562 0.00000
359 0.0857 0.00000
360 -0.0770 0.00000
361 -0.0559 0.00000
362 -0.0420 0.00000
363 0.0689 0.00000
364 -0.1097 0.00000
365 -0.0122 0.00000
366 -0.0233 0.00000
367 0.0310 0.00000
368 0.0063 0.00000
369 0.0013 0.00000
370 -0.0539 0.00000
371 -0.1290 0.00000
372 0.1236 0.00000
373 -0.0875 0.00000
374 0.0411 0.00000
375 -0.0164 0.00000
376 -0.0139 0.00000
377 -0.0488 0.00000
378 0.0197 0.00000
379 0.0632 0.00000
380 0.1105 0.00000
381 0.1132 0.00000
382 -0.0310 0.00000
383 -0.0064 0.00000
384 0.0727 0.00000
385 0.0711 0.00000
386 0.2283 0.00000
387 0.0337 0.00000
388 -0.0744 0.00000
389 -0.0130 0.00000
390 -0.0099 0.00000
391 0.1624 0.00000
392 0.0066 0.00000
393 0.0096 0.00000
394 0.0365 0.00000
395 0.0579 0.00000
396 -0.0191 0.00000
397 0.1282 0.00000
398 -0.0443 0.00000
399 0.0072 0.00000
400 -0.0253 0.00000
401 0.0343 0.00000
402 -0.0021 0.00000
403 -0.0637 0.00000
404 -0.1826 0.00000
405 0.0120 0.00000
406 -0.0031 0.00000
407 -0.0150 0.00000
408 0.0626 0.00000
409 0.2563 0.00000
410 -0.0054 0.00000
411 -0.0278 0.00000
412 -0.0352 0.00000
413 0.0485 0.00000
414 0.0174 0.00000
415 -0.0720 0.00000
416 0.1200 0.00000
417 0.2067 0.00000
418 0.0056 0.00000
419 0.1589 0.00000
420 0.1205 0.00000
421 0.0109 0.00000
422 0.0079 0.00000
423 -0.0065 0.00000
424 0.0095 0.00000
425 0.0022 0.00000
426 0.0579 0.00000
427 -0.0741 0.00000
428 0.0249 0.00000
429 -0.0149 0.00000
430 0.2334 0.00000
431 0.0004 0.00000
432 0.0405 0.00000
433 -0.0736 0.00000
434 -0.0536 0.00000
435 0.0049 0.00000
436 0.0460 0.00000
437 0.0401 0.00000
438 0.0307 0.00000
439 0.0237 0.00000
440 -0.0643 0.00000
441 -0.0190 0.00000
442 -0.0020 0.00000
443 0.0065 0.00000
444 0.0831 0.00000
445 -0.0200 0.00000
446 0.0045 0.00000
447 -0.0411 0.00000
448 0.0459 0.00000
449 0.1717 0.00000
450 0.0509 0.00000
451 0.2907 0.00000
452 -0.1032 0.00000
453 -0.0071 0.00000
454 0.1059 0.00000
455 -0.0458 0.00000
456 0.2114 0.00000
457 -0.0654 0.00000
458 -0.0379 0.00000
459 0.0309 0.00000
460 -0.0377 0.00000
461 -0.0207 0.00000
462 -0.0545 0.00000
463 -0.0049 0.00000
464 -0.0483 0.00000
465 0.0032 0.00000
466 -0.0281 0.00000
467 0.0719 0.00000
468 -0.0667 0.00000
469 -0.0643 0.00000
470 -0.0613 0.00000
471 -0.0273 0.00000
472 -0.0379 0.00000
473 -0.0807 0.00000
474 0.0028 0.00000
475 0.1184 0.00000
476 0.1040 0.00000
477 -0.1298 0.00000
478 0.0230 0.00000
479 -0.1118 0.00000
480 -0.0212 0.00000
481 -0.1336 0.00000
482 -0.0906 0.00000
483 0.0744 0.00000
484 0.0121 0.00000
485 -0.0820 0.00000
486 0.0326 0.00000
487 0.0436 0.00000
488 0.0343 0.00000
489 0.0287 0.00000
490 0.0142 0.00000
491 0.0124 0.00000
492 0.0219 0.00000
493 0.1075 0.00000
494 -0.0637 0.00000
495 0.0164 0.00000
496 0.0524 0.00000
497 0.0438 0.00000
498 0.0786 0.00000
499 0.0124 0.00000
500 -0.0362 0.00000
501 0.0642 0.00000
502 -0.0328 0.00000
503 0.0042 0.00000
504 0.1220 0.00000
505 0.0121 0.00000
506 -0.0230 0.00000
507 -0.1081 0.00000
508 0.0101 0.00000
509 0.0592 0.00000
510 0.0271 0.00000
511 -0.0621 0.00000
512 0.0502 0.00000
513 0.1080 0.00000
514 -0.0171 0.00000
515 0.0524 0.00000
516 -0.0897 0.00000
517 -0.0385 0.00000
518 0.1826 0.00000
519 -0.0208 0.00000
520 -0.0042 0.00000
521 -0.0292 0.00000
522 -0.0530 0.00000
523 0.0035 0.00000
524 -0.0791 0.00000
525 -0.2663 0.00000
526 -0.0139 0.00000
527 -0.0383 0.00000
528 0.1351 0.00000
529 -0.1370 0.00000
530 -0.1310 0.00000
531 -0.0184 0.00000
532 -0.1226 0.00000
533 -0.0597 0.00000
534 0.0238 0.00000
535 0.0361 0.00000
536 -0.0803 0.00000
537 -0.0565 0.00000
538 0.0320 0.00000
539 -0.0328 0.00000
540 -0.0682 0.00000
541 -0.1810 0.00000
542 -0.0901 0.00000
543 -0.0683 0.00000
544 -0.0134 0.00000
545 0.1160 0.00000
546 -0.0397 0.00000
547 0.0145 0.00000
548 0.0341 0.00000
549 0.0647 0.00000
550 0.0552 0.00000
551 0.1625 0.00000
552 -0.0617 0.00000
553 0.0200 0.00000
554 -0.0784 0.00000
555 0.0332 0.00000
556 -0.0321 0.00000
557 0.0970 0.00000
558 -0.0892 0.00000
559 0.0786 0.00000
560 0.3328 0.00000
561 0.0185 0.00000
562 0.0094 0.00000
563 0.0427 0.00000
564 -0.0732 0.00000
565 -0.0181 0.00000
566 -0.0138 0.00000
567 -0.0260 0.00000
568 -0.0373 0.00000
569 0.0376 0.00000
570 -0.0501 0.00000
571 0.0526 0.00000
572 0.1178 0.00000
573 0.1045 0.00000
574 0.0210 0.00000
575 0.0515 0.00000
576 0.1368 0.00000
577 -0.0764 0.00000
578 0.0360 0.00000
579 0.0384 0.00000
580 0.1229 0.00000
581 0.0194 0.00000
582 0.0147 0.00000
583 -0.0538 0.00000
584 -0.2800 0.00000
585 0.1022 0.00000
586 -0.0157 0.00000
587 -0.0174 0.00000
588 0.1332 0.00000
589 -0.0645 0.00000
590 0.3429 0.00000
591 0.1547 0.00000
592 0.1672 0.00000
593 0.0479 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0165 0.00000
597 0.0122 0.00000
598 -0.0168 0.00000
599 0.0235 0.00000
600 0.0187 0.00000
601 0.0223 0.00000
602 -0.0177 0.00000
603 -0.0202 0.00000
604 -0.0367 0.00000
605 -0.0984 0.00000
606 -0.0352 0.00000
607 -0.0292 0.00000
608 -0.0058 0.00000
609 0.0234 0.00000
610 -0.1239 0.00000
611 -0.0516 0.00000
612 0.0625 0.00000
613 0.0804 0.00000
614 -0.0887 0.00000
615 0.0174 0.00000
616 -0.1093 0.00000
617 0.0348 0.00000
618 -0.0483 0.00000
619 -0.0155 0.00000
620 -0.0883 0.00000
621 0.0238 0.00000
622 -0.2807 0.00000
623 0.0194 0.00000
624 0.0053 0.00000
625 0.0144 0.00000
626 0.0248 0.00000
627 -0.0382 0.00000
628 -0.0423 0.00000
629 0.0509 0.00000
630 -0.0831 0.00000
631 -0.0485 0.00000
632 0.0106 0.00000
633 -0.0398 0.00000
634 -0.0434 0.00000
635 0.0091 0.00000
636 0.0179 0.00000
637 -0.0119 0.00000
638 -0.0660 0.00000
639 0.0602 0.00000
640 -0.0201 0.00000
641 0.0189 0.00000
642 0.0011 0.00000
643 0.0281 0.00000
644 -0.0564 0.00000
645 -0.0118 0.00000
646 -0.0326 0.00000
647 -0.0004 0.00000
648 0.0018 0.00000
649 -0.0389 0.00000
650 -0.0548 0.00000
651 0.0199 0.00000
652 -0.0146 0.00000
653 0.0101 0.00000
654 -0.0796 0.00000
655 -0.1481 0.00000
656 0.0072 0.00000
657 -0.0308 0.00000
658 -0.0379 0.00000
659 0.0004 0.00000
660 -0.1585 0.00000
661 0.0584 0.00000
662 0.0295 0.00000
663 0.0295 0.00000
664 -0.0229 0.00000
665 -0.0659 0.00000
666 0.0589 0.00000
667 0.0156 0.00000
668 0.0361 0.00000
669 -0.0125 0.00000
670 0.0407 0.00000
671 0.0184 0.00000
672 -0.0076 0.00000
673 -0.0462 0.00000
674 -0.1924 0.00000
675 -0.0090 0.00000
676 0.0258 0.00000
677 -0.0533 0.00000
678 0.0452 0.00000
679 0.0062 0.00000
680 0.0070 0.00000
681 0.0463 0.00000
682 0.0135 0.00000
683 -0.0051 0.00000
684 0.0295 0.00000
685 -0.0689 0.00000
686 -0.1377 0.00000
687 -0.0493 0.00000
688 0.0219 0.00000
689 0.0418 0.00000
690 0.0028 0.00000
691 -0.0200 0.00000
692 -0.0115 0.00000
693 -0.0302 0.00000
694 -0.0012 0.00000
695 0.0630 0.00000
696 0.0256 0.00000
697 -0.0526 0.00000
698 -0.1177 0.00000
699 -0.0157 0.00000
700 -0.0079 0.00000
701 0.0057 0.00000
702 -0.0409 0.00000
703 -0.0110 0.00000
704 -0.0609 0.00000
705 0.0016 0.00000
706 -0.0578 0.00000
707 0.0252 0.00000
708 -0.0382 0.00000
709 -0.0423 0.00000
710 -0.0249 0.00000
711 0.0324 0.00000
712 0.0187 0.00000
713 -0.0322 0.00000
714 0.0252 0.00000
715 0.0245 0.00000
716 -0.0657 0.00000
717 -0.0065 0.00000
718 -0.0533 0.00000
719 -0.0866 0.00000
720 -0.0081 0.00000
721 -0.0016 0.00000
722 -0.0196 0.00000
723 -0.0217 0.00000
724 -0.0366 0.00000
725 -0.0156 0.00000
726 0.0098 0.00000
727 -0.0266 0.00000
728 0.0696 0.00000
729 -0.0392 0.00000
730 0.0876 0.00000
731 -0.0185 0.00000
732 0.0064 0.00000
733 -0.0084 0.00000
734 0.0107 0.00000
735 -0.0734 0.00000
736 -0.0541 0.00000
737 -0.1014 0.00000
738 -0.0469 0.00000
739 0.0261 0.00000
740 -0.0005 0.00000
741 0.0099 0.00000
742 -0.0522 0.00000
743 -0.0326 0.00000
744 -0.0463 0.00000
745 0.0237 0.00000
746 -0.0471 0.00000
747 0.0328 0.00000
748 -0.0693 0.00000
749 0.0167 0.00000
750 -0.0280 0.00000
751 -0.0167 0.00000
752 0.0260 0.00000
753 0.0545 0.00000
754 -0.0233 0.00000
755 -0.0389 0.00000
756 0.0052 0.00000
757 -0.0171 0.00000
758 0.0322 0.00000
759 -0.0151 0.00000
760 -0.0346 0.00000
761 0.0874 0.00000
762 -0.0057 0.00000
763 -0.0512 0.00000
764 -0.0010 0.00000
765 0.0083 0.00000
766 -0.0357 0.00000
767 -0.0647 0.00000
768 0.0437 0.00000
769 -0.0014 0.00000
770 0.0246 0.00000
771 -0.0844 0.00000
772 -0.0018 0.00000
773 -0.0334 0.00000
774 0.0154 0.00000
775 -0.0294 0.00000
776 0.0985 0.00000
777 0.0737 0.00000
778 0.0428 0.00000
779 0.0056 0.00000
780 0.0173 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0072 0.00000
3 -0.0690 0.00000
4 -0.1450 0.00000
5 -0.1736 0.00000
6 -0.0672 0.00000
7 -0.0369 0.00000
8 -0.0102 0.00000
9 -0.1602 0.00000
10 0.0042 0.00000
11 0.0234 0.00000
12 0.0356 0.00000
13 0.0275 0.00000
14 -0.0530 0.00000
15 -0.0793 0.00000
16 0.1678 0.00000
17 0.0512 0.00000
18 -0.0207 0.00000
19 0.0530 0.00000
20 -0.0457 0.00000
21 -0.1383 0.00000
22 0.0373 0.00000
23 -0.0204 0.00000
24 0.1518 0.00000
25 0.1900 0.00000
26 0.2761 0.00000
27 0.6386 0.00000
28 -0.0328 0.00000
29 0.0516 0.00000
30 0.8788 0.00000
31 0.0904 0.00000
32 0.0146 0.00000
33 -0.1011 0.00000
34 -0.1996 0.00000
35 -0.0483 0.00000
36 0.0576 0.00000
37 -0.0235 0.00000
38 0.0043 0.00000
39 0.0851 0.00000
40 -0.1408 0.00000
41 -0.1105 0.00000
42 0.0569 0.00000
43 -0.3180 0.00000
44 -0.2183 0.00000
45 0.0665 0.00000
46 0.1393 0.00000
47 0.2132 0.00000
48 0.0341 0.00000
49 0.0436 0.00000
50 0.3166 0.00000
51 -0.0261 0.00000
52 0.0367 0.00000
53 0.0485 0.00000
54 -0.0338 0.00000
55 -0.0208 0.00000
56 0.3639 0.00000
57 -0.2169 0.00000
58 -0.1178 0.00000
59 0.6606 0.00000
60 0.0018 0.00000
61 -0.2154 0.00000
62 0.7888 0.00000
63 0.2006 0.00000
64 0.2295 0.00000
65 -0.1866 0.00000
66 -0.1236 0.00000
67 0.6443 0.00000
68 -0.0464 0.00000
69 -0.0121 0.00000
70 -0.0204 0.00000
71 -0.3915 0.00000
72 0.0007 0.00000
73 0.0257 0.00000
74 -0.0248 0.00000
75 -0.0473 0.00000
76 0.1872 0.00000
77 0.0783 0.00000
78 -0.1130 0.00000
79 0.3605 0.00000
80 0.1491 0.00000
81 -0.5271 0.00000
82 0.0661 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0386 0.00000
90 -0.1477 0.00000
91 -0.0303 0.00000
92 -0.0108 0.00000
93 -0.0190 0.00000
94 0.3710 0.00000
95 0.1881 0.00000
96 0.3310 0.00000
97 -0.1100 0.00000
98 -0.1713 0.00000
99 -0.0400 0.00000
100 -0.2003 0.00000
101 0.0157 0.00000
102 -0.2207 0.00000
103 0.0099 0.00000
104 -0.1596 0.00000
105 -0.1954 0.00000
106 0.0246 0.00000
107 0.0621 0.00000
108 -0.1495 0.00000
109 -1.1441 0.00000
110 0.0070 0.00000
111 -0.1191 0.00000
112 0.0385 0.00000
113 0.0132 0.00000
114 -0.0942 0.00000
115 -0.3177 0.00000
116 0.0924 0.00000
117 -0.1308 0.00000
118 0.1285 0.00000
119 -0.0070 0.00000
120 0.0873 0.00000
121 -0.2811 0.00000
122 -0.1900 0.00000
123 0.1371 0.00000
124 0.2005 0.00000
125 0.0314 0.00000
126 -0.2887 0.00000
127 0.1253 0.00000
128 -0.0043 0.00000
129 0.4449 0.00000
130 -0.1780 0.00000
131 -0.0114 0.00000
132 0.0190 0.00000
133 -0.0664 0.00000
134 -0.1611 0.00000
135 0.0059 0.00000
136 -0.2162 0.00000
137 0.2938 0.00000
138 -0.5092 0.00000
139 -0.1465 0.00000
140 0.0119 0.00000
141 -0.1127 0.00000
142 0.2538 0.00000
143 -0.0359 0.00000
144 0.0568 0.00000
145 0.1266 0.00000
146 0.3038 0.00000
147 0.1295 0.00000
148 -0.0297 0.00000
149 -0.0786 0.00000
150 -0.0711 0.00000
151 0.0322 0.00000
152 0.1491 0.00000
153 -0.0329 0.00000
154 0.0018 0.00000
155 0.0174 0.00000
156 -0.0280 0.00000
157 0.0059 0.00000
158 0.1633 0.00000
159 0.1322 0.00000
160 0.1033 0.00000
161 0.0307 0.00000
162 0.0953 0.00000
163 -0.0593 0.00000
164 -0.0305 0.00000
165 0.0454 0.00000
166 0.3046 0.00000
167 0.0175 0.00000
168 -0.0084 0.00000
169 -0.0373 0.00000
170 0.0204 0.00000
171 0.1319 0.00000
172 -0.0905 0.00000
173 -0.0729 0.00000
174 0.0453 0.00000
175 0.0269 0.00000
176 -0.0653 0.00000
177 -0.0985 0.00000
178 -0.0998 0.00000
179 0.0119 0.00000
180 0.0207 0.00000
181 0.3736 0.00000
182 -0.0702 0.00000
183 0.1368 0.00000
184 0.0757 0.00000
185 -0.0195 0.00000
186 0.0244 0.00000
187 0.0151 0.00000
188 -0.0183 0.00000
189 -0.0542 0.00000
190 0.0204 0.00000
191 0.1103 0.00000
192 -0.0304 0.00000
193 0.1056 0.00000
194 0.4914 0.00000
195 0.1611 0.00000
196 -0.1520 0.00000
197 -0.0409 0.00000
198 0.0901 0.00000
199 -0.1341 0.00000
200 0.3030 0.00000
201 0.0959 0.00000
202 -0.2117 0.00000
203 -0.0015 0.00000
204 0.2100 0.00000
205 0.0387 0.00000
206 0.0209 0.00000
207 -0.0673 0.00000
208 0.0552 0.00000
209 -0.0309 0.00000
210 0.1999 0.00000
211 0.0945 0.00000
212 0.0340 0.00000
213 0.0082 0.00000
214 0.1432 0.00000
215 0.1033 0.00000
216 -0.4261 0.00000
217 -0.1945 0.00000
218 -0.0403 0.00000
219 -0.0231 0.00000
220 -0.0673 0.00000
221 -0.0780 0.00000
222 0.0646 0.00000
223 0.0353 0.00000
224 0.1333 0.00000
225 0.3322 0.00000
226 0.1347 0.00000
227 -0.0168 0.00000
228 0.0112 0.00000
229 -0.1316 0.00000
230 0.0310 0.00000
231 0.0085 0.00000
232 0.0063 0.00000
233 -0.0257 0.00000
234 -0.1888 0.00000
235 0.1931 0.00000
236 0.0315 0.00000
237 -0.0481 0.00000
238 0.3189 0.00000
239 0.0867 0.00000
240 -0.0064 0.00000
241 0.0103 0.00000
242 -0.0051 0.00000
243 -0.0371 0.00000
244 0.0058 0.00000
245 0.0162 0.00000
246 -0.0597 0.00000
247 -0.0096 0.00000
248 -0.1322 0.00000
249 -0.0989 0.00000
250 -0.1495 0.00000
251 -0.0858 0.00000
252 0.0842 0.00000
253 0.0419 0.00000
254 -0.1062 0.00000
255 0.0653 0.00000
256 -0.1298 0.00000
257 -0.2617 0.00000
258 0.1128 0.00000
259 -0.1858 0.00000
260 0.1621 0.00000
261 -0.0128 0.00000
262 0.0196 0.00000
263 0.0173 0.00000
264 -0.0637 0.00000
265 -0.0987 0.00000
266 -0.0404 0.00000
267 0.0166 0.00000
268 -0.1558 0.00000
269 -0.0307 0.00000
270 -0.0316 0.00000
271 -0.0832 0.00000
272 -0.1625 0.00000
273 -0.0063 0.00000
274 -0.0930 0.00000
275 -0.0931 0.00000
276 -0.1334 0.00000
277 -0.1237 0.00000
278 0.0275 0.00000
279 -0.1012 0.00000
280 -0.0194 0.00000
281 0.1020 0.00000
282 -0.0246 0.00000
283 0.0070 0.00000
284 -0.0651 0.00000
285 0.0453 0.00000
286 0.0436 0.00000
287 0.0536 0.00000
288 -0.0369 0.00000
289 -0.1854 0.00000
290 -0.0343 0.00000
291 -0.0142 0.00000
292 -0.0586 0.00000
293 -0.0795 0.00000
294 -0.1073 0.00000
295 0.1031 0.00000
296 -0.0337 0.00000
297 0.2229 0.00000
298 -0.1692 0.00000
299 0.1094 0.00000
300 -0.0532 0.00000
301 -0.0021 0.00000
302 0.0235 0.00000
303 -0.0650 0.00000
304 0.1036 0.00000
305 -0.1050 0.00000
306 -0.0850 0.00000
307 -0.0184 0.00000
308 0.1075 0.00000
309 0.0393 0.00000
310 0.0311 0.00000
311 -0.0483 0.00000
312 0.1266 0.00000
313 0.0630 0.00000
314 0.0226 0.00000
315 0.1974 0.00000
316 -0.0337 0.00000
317 -0.0089 0.00000
318 -0.0255 0.00000
319 -0.0008 0.00000
320 -0.0541 0.00000
321 -0.1408 0.00000
322 0.1156 0.00000
323 0.0264 0.00000
324 -0.0056 0.00000
325 0.0214 0.00000
326 -0.0051 0.00000
327 0.0043 0.00000
328 0.0339 0.00000
329 -0.0879 0.00000
330 0.0747 0.00000
331 -0.1076 0.00000
332 -0.0240 0.00000
333 0.0177 0.00000
334 0.0160 0.00000
335 -0.0633 0.00000
336 -0.0585 0.00000
337 0.0220 0.00000
338 -0.0991 0.00000
339 -0.0386 0.00000
340 0.0581 0.00000
341 0.0078 0.00000
342 0.0561 0.00000
343 0.0238 0.00000
344 -0.0038 0.00000
345 0.0687 0.00000
346 0.0415 0.00000
347 0.0358 0.00000
348 -0.0422 0.00000
349 0.1238 0.00000
350 0.0151 0.00000
351 -0.0356 0.00000
352 0.0626 0.00000
353 -0.0141 0.00000
354 -0.0416 0.00000
355 -0.1646 0.00000
356 0.0286 0.00000
357 -0.1462 0.00000
358 0.1283 0.00000
359 -0.0705 0.00000
360 -0.0910 0.00000
361 0.0433 0.00000
362 -0.0818 0.00000
363 -0.0006 0.00000
364 -0.0481 0.00000
365 0.0241 0.00000
366 -0.0261 0.00000
367 -0.0579 0.00000
368 -0.0348 0.00000
369 -0.0592 0.00000
370 0.0613 0.00000
371 0.0034 0.00000
372 -0.1678 0.00000
373 0.0330 0.00000
374 0.0746 0.00000
375 0.0626 0.00000
376 0.0812 0.00000
377 -0.0030 0.00000
378 0.0162 0.00000
379 0.0703 0.00000
380 0.1506 0.00000
381 0.0794 0.00000
382 -0.0644 0.00000
383 -0.0247 0.00000
384 0.0238 0.00000
385 0.0693 0.00000
386 -0.0450 0.00000
387 0.0064 0.00000
388 0.0122 0.00000
389 0.0853 0.00000
390 0.0484 0.00000
391 0.0591 0.00000
392 -0.0222 0.00000
393 0.1374 0.00000
394 0.0806 0.00000
395 0.0540 0.00000
396 0.0331 0.00000
397 0.0084 0.00000
398 -0.0155 0.00000
399 0.0228 0.00000
400 -0.0425 0.00000
401 -0.0454 0.00000
402 -0.0717 0.00000
403 0.0518 0.00000
404 0.1095 0.00000
405 0.1028 0.00000
406 0.1444 0.00000
407 0.0042 0.00000
408 -0.0407 0.00000
409 -0.0880 0.00000
410 -0.0326 0.00000
411 0.0377 0.00000
412 0.0322 0.00000
413 0.0284 0.00000
414 0.0084 0.00000
415 0.0323 0.00000
416 -0.0347 0.00000
417 0.0331 0.00000
418 -0.0045 0.00000
419 0.3164 0.00000
420 0.0215 0.00000
421 0.1244 0.00000
422 -0.0264 0.00000
423 0.0497 0.00000
424 -0.0010 0.00000
425 -0.0242 0.00000
426 -0.0118 0.00000
427 0.0296 0.00000
428 0.0017 0.00000
429 -0.0162 0.00000
430 -0.0384 0.00000
431 0.0239 0.00000
432 0.0228 0.00000
433 -0.0661 0.00000
434 0.1182 0.00000
435 0.0121 0.00000
436 0.0121 0.00000
437 0.0709 0.00000
438 0.0361 0.00000
439 -0.0316 0.00000
440 0.0265 0.00000
441 0.0692 0.00000
442 -0.0323 0.00000
443 0.0881 0.00000
444 0.0071 0.00000
445 0.0214 0.00000
446 0.0916 0.00000
447 0.0202 0.00000
448 0.0569 0.00000
449 0.0416 0.00000
450 0.0328 0.00000
451 -0.0198 0.00000
452 -0.0240 0.00000
453 0.0184 0.00000
454 0.0872 0.00000
455 0.0861 0.00000
456 0.0617 0.00000
457 -0.0200 0.00000
458 -0.0089 0.00000
459 -0.1553 0.00000
460 -0.0130 0.00000
461 0.0188 0.00000
462 -0.0032 0.00000
463 -0.1044 0.00000
464 0.0327 0.00000
465 0.0146 0.00000
466 0.0297 0.00000
467 0.0929 0.00000
468 -0.1000 0.00000
469 -0.0227 0.00000
470 -0.0473 0.00000
471 0.0343 0.00000
472 -0.0535 0.00000
473 -0.1817 0.00000
474 -0.0317 0.00000
475 0.1377 0.00000
476 -0.0075 0.00000
477 0.0510 0.00000
478 -0.0925 0.00000
479 -0.0833 0.00000
480 0.0883 0.00000
481 0.0332 0.00000
482 -0.0450 0.00000
483 -0.0412 0.00000
484 0.1257 0.00000
485 -0.1439 0.00000
486 -0.1457 0.00000
487 -0.0293 0.00000
488 0.0986 0.00000
489 0.0155 0.00000
490 0.0922 0.00000
491 0.0762 0.00000
492 0.0371 0.00000
493 -0.0031 0.00000
494 0.0802 0.00000
495 0.0383 0.00000
496 0.0230 0.00000
497 0.0465 0.00000
498 0.0533 0.00000
499 0.0136 0.00000
500 -0.1448 0.00000
501 0.0411 0.00000
502 0.0124 0.00000
503 0.0425 0.00000
504 0.0294 0.00000
505 0.0872 0.00000
506 -0.0253 0.00000
507 -0.0009 0.00000
508 -0.1155 0.00000
509 0.0526 0.00000
510 0.0030 0.00000
511 -0.0020 0.00000
512 0.0346 0.00000
513 -0.1000 0.00000
514 -0.0018 0.00000
515 0.0406 0.00000
516 0.0699 0.00000
517 0.0203 0.00000
518 0.1614 0.00000
519 0.0307 0.00000
520 -0.2584 0.00000
521 -0.0594 0.00000
522 -0.0136 0.00000
523 0.0223 0.00000
524 -0.1862 0.00000
525 -0.0765 0.00000
526 -0.0467 0.00000
527 0.0481 0.00000
528 -0.0088 0.00000
529 -0.0017 0.00000
530 -0.0118 0.00000
531 -0.1131 0.00000
532 0.0795 0.00000
533 -0.1967 0.00000
534 -0.1192 0.00000
535 -0.0095 0.00000
536 -0.1291 0.00000
537 -0.0861 0.00000
538 -0.1082 0.00000
539 0.1887 0.00000
540 0.0854 0.00000
541 0.0160 0.00000
542 0.0206 0.00000
543 -0.0334 0.00000
544 0.0024 0.00000
545 0.0808 0.00000
546 -0.0719 0.00000
547 -0.0089 0.00000
548 -0.0244 0.00000
549 0.0325 0.00000
550 0.0664 0.00000
551 -0.0575 0.00000
552 0.0198 0.00000
553 -0.0034 0.00000
554 -0.0032 0.00000
555 0.0561 0.00000
556 -0.0711 0.00000
557 -0.0392 0.00000
558 0.0428 0.00000
559 -0.0390 0.00000
560 0.1275 0.00000
561 0.0000 0.00000
562 0.0068 0.00000
563 0.1717 0.00000
564 0.0008 0.00000
565 -0.0613 0.00000
566 -0.0712 0.00000
567 -0.0208 0.00000
568 0.0117 0.00000
569 -0.0087 0.00000
570 0.0067 0.00000
571 0.1656 0.00000
572 0.0696 0.00000
573 0.0726 0.00000
574 -0.0276 0.00000
575 -0.0017 0.00000
576 0.0846 0.00000
577 0.0818 0.00000
578 -0.0219 0.00000
579 0.0267 0.00000
580 0.1125 0.00000
581 0.0411 0.00000
582 0.0516 0.00000
583 0.1072 0.00000
584 -0.4677 0.00000
585 0.1098 0.00000
586 0.0661 0.00000
587 -0.0067 0.00000
588 0.1151 0.00000
589 -0.0611 0.00000
590 0.3431 0.00000
591 0.1671 0.00000
592 0.1466 0.00000
593 0.0475 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0167 0.00000
597 0.0123 0.00000
598 -0.0302 0.00000
599 0.1280 0.00000
600 -0.0861 0.00000
601 -0.0063 0.00000
602 -0.0051 0.00000
603 -0.0773 0.00000
604 0.0377 0.00000
605 -0.0634 0.00000
606 -0.0281 0.00000
607 0.0237 0.00000
608 -0.0664 0.00000
609 -0.0370 0.00000
610 -0.0885 0.00000
611 0.1095 0.00000
612 -0.0654 0.00000
613 0.0369 0.00000
614 -0.0381 0.00000
615 -0.1471 0.00000
616 -0.0891 0.00000
617 0.0233 0.00000
618 -0.0150 0.00000
619 -0.0220 0.00000
620 -0.0412 0.00000
621 0.0310 0.00000
622 -0.0327 0.00000
623 0.0200 0.00000
624 -0.0212 0.00000
625 -0.1091 0.00000
626 -0.1146 0.00000
627 0.0662 0.00000
628 -0.0526 0.00000
629 -0.0650 0.00000
630 0.0011 0.00000
631 -0.0573 0.00000
632 0.0299 0.00000
633 -0.1426 0.00000
634 -0.0213 0.00000
635 0.0018 0.00000
636 0.0782 0.00000
637 0.0171 0.00000
638 -0.0304 0.00000
639 -0.0258 0.00000
640 0.0347 0.00000
641 -0.0601 0.00000
642 -0.0127 0.00000
643 0.0329 0.00000
644 -0.0248 0.00000
645 0.0070 0.00000
646 -0.0503 0.00000
647 -0.0157 0.00000
648 -0.0181 0.00000
649 -0.0151 0.00000
650 0.0142 0.00000
651 0.0124 0.00000
652 -0.0132 0.00000
653 -0.1020 0.00000
654 -0.0268 0.00000
655 -0.0541 0.00000
656 -0.0417 0.00000
657 0.0006 0.00000
658 -0.0310 0.00000
659 -0.0165 0.00000
660 -0.0248 0.00000
661 -0.0837 0.00000
662 -0.0062 0.00000
663 0.1171 0.00000
664 0.0044 0.00000
665 -0.0213 0.00000
666 0.0807 0.00000
667 -0.0554 0.00000
668 -0.0439 0.00000
669 0.0475 0.00000
670 0.0523 0.00000
671 -0.0128 0.00000
672 -0.0092 0.00000
673 -0.0412 0.00000
674 -0.0008 0.00000
675 0.0492 0.00000
676 0.0197 0.00000
677 -0.0342 0.00000
678 -0.1094 0.00000
679 -0.0355 0.00000
680 0.0286 0.00000
681 -0.0099 0.00000
682 -0.0986 0.00000
683 -0.0161 0.00000
684 -0.0854 0.00000
685 -0.1263 0.00000
686 -0.1081 0.00000
687 0.0855 0.00000
688 0.0055 0.00000
689 -0.0028 0.00000
690 -0.0043 0.00000
691 -0.0803 0.00000
692 0.0041 0.00000
693 -0.0251 0.00000
694 0.0521 0.00000
695 -0.0688 0.00000
696 -0.0383 0.00000
697 0.0165 0.00000
698 -0.0473 0.00000
699 0.0561 0.00000
700 -0.0032 0.00000
701 -0.0009 0.00000
702 0.0029 0.00000
703 -0.0280 0.00000
704 0.0284 0.00000
705 -0.0520 0.00000
706 -0.0238 0.00000
707 0.0114 0.00000
708 -0.0213 0.00000
709 0.0145 0.00000
710 -0.0064 0.00000
711 0.0224 0.00000
712 0.0402 0.00000
713 -0.0020 0.00000
714 0.0433 0.00000
715 -0.0264 0.00000
716 0.0520 0.00000
717 0.0157 0.00000
718 -0.1233 0.00000
719 0.0272 0.00000
720 0.0023 0.00000
721 -0.0943 0.00000
722 -0.0140 0.00000
723 -0.0779 0.00000
724 -0.0452 0.00000
725 0.0192 0.00000
726 -0.0300 0.00000
727 0.0107 0.00000
728 0.0364 0.00000
729 -0.0862 0.00000
730 -0.0396 0.00000
731 -0.1048 0.00000
732 -0.0181 0.00000
733 0.0221 0.00000
734 -0.0104 0.00000
735 -0.0821 0.00000
736 -0.0413 0.00000
737 0.0403 0.00000
738 -0.0091 0.00000
739 -0.0168 0.00000
740 0.0050 0.00000
741 0.0096 0.00000
742 0.0033 0.00000
743 -0.0438 0.00000
744 0.0199 0.00000
745 0.0125 0.00000
746 -0.0156 0.00000
747 -0.0235 0.00000
748 0.0022 0.00000
749 -0.0380 0.00000
750 -0.0129 0.00000
751 -0.0066 0.00000
752 -0.0641 0.00000
753 -0.0291 0.00000
754 -0.0621 0.00000
755 0.0004 0.00000
756 -0.0421 0.00000
757 -0.0083 0.00000
758 0.0056 0.00000
759 0.0160 0.00000
760 -0.0220 0.00000
761 0.0407 0.00000
762 0.0741 0.00000
763 -0.0187 0.00000
764 0.0114 0.00000
765 0.0679 0.00000
766 0.0380 0.00000
767 -0.0042 0.00000
768 -0.0101 0.00000
769 -0.0310 0.00000
770 0.0288 0.00000
771 0.0311 0.00000
772 0.0283 0.00000
773 0.0785 0.00000
774 -0.0113 0.00000
775 -0.0296 0.00000
776 -0.1090 0.00000
777 0.0404 0.00000
778 -0.0828 0.00000
779 -0.0110 0.00000
780 -0.0154 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0072 0.00000
3 -0.0691 0.00000
4 -0.1449 0.00000
5 -0.1734 0.00000
6 -0.0678 0.00000
7 -0.0364 0.00000
8 -0.0109 0.00000
9 -0.1594 0.00000
10 0.0050 0.00000
11 0.0231 0.00000
12 0.0344 0.00000
13 0.0285 0.00000
14 -0.0537 0.00000
15 -0.0793 0.00000
16 0.1899 0.00000
17 0.0054 0.00000
18 0.0220 0.00000
19 0.0273 0.00000
20 -0.0382 0.00000
21 -0.1380 0.00000
22 0.0472 0.00000
23 -0.0231 0.00000
24 0.1458 0.00000
25 0.0831 0.00000
26 0.8908 0.00000
27 0.1244 0.00000
28 -0.0294 0.00000
29 0.1187 0.00000
30 0.7266 0.00000
31 0.1655 0.00000
32 0.0195 0.00000
33 -0.1217 0.00000
34 -0.1939 0.00000
35 -0.0271 0.00000
36 0.0463 0.00000
37 0.0172 0.00000
38 -0.0108 0.00000
39 0.0781 0.00000
40 -0.1400 0.00000
41 -0.1112 0.00000
42 0.0437 0.00000
43 -0.3175 0.00000
44 0.0217 0.00000
45 -0.1744 0.00000
46 0.2779 0.00000
47 0.0827 0.00000
48 0.0633 0.00000
49 0.0910 0.00000
50 0.0887 0.00000
51 -0.0008 0.00000
52 0.1963 0.00000
53 0.0428 0.00000
54 0.0084 0.00000
55 -0.0356 0.00000
56 0.3890 0.00000
57 -0.2155 0.00000
58 -0.0899 0.00000
59 -0.0496 0.00000
60 0.7540 0.00000
61 0.0066 0.00000
62 -0.0878 0.00000
63 0.3324 0.00000
64 0.5980 0.00000
65 -0.1799 0.00000
66 -0.1727 0.00000
67 0.0199 0.00000
68 0.6195 0.00000
69 -0.0210 0.00000
70 -0.3909 0.00000
71 -0.0097 0.00000
72 0.0007 0.00000
73 0.0284 0.00000
74 -0.0154 0.00000
75 -0.0451 0.00000
76 0.1693 0.00000
77 0.0901 0.00000
78 -0.0838 0.00000
79 0.3228 0.00000
80 0.1461 0.00000
81 -0.5241 0.00000
82 0.0657 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0379 0.00000
90 -0.1426 0.00000
91 -0.0321 0.00000
92 -0.0344 0.00000
93 0.0399 0.00000
94 0.3208 0.00000
95 0.2701 0.00000
96 0.2230 0.00000
97 -0.0976 0.00000
98 -0.2741 0.00000
99 -0.1159 0.00000
100 0.2564 0.00000
101 -0.2233 0.00000
102 -0.2691 0.00000
103 -0.1821 0.00000
104 0.1506 0.00000
105 -0.1103 0.00000
106 -0.1472 0.00000
107 0.0496 0.00000
108 -0.9232 0.00000
109 -0.2540 0.00000
110 0.1269 0.00000
111 -0.2598 0.00000
112 0.0416 0.00000
113 0.0052 0.00000
114 -0.2803 0.00000
115 -0.1863 0.00000
116 0.1125 0.00000
117 -0.1652 0.00000
118 0.1243 0.00000
119 -0.0922 0.00000
120 0.0891 0.00000
121 -0.1326 0.00000
122 -0.2209 0.00000
123 -0.2486 0.00000
124 0.5150 0.00000
125 0.0728 0.00000
126 -0.2433 0.00000
127 0.0966 0.00000
128 -0.0650 0.00000
129 0.3887 0.00000
130 -0.0753 0.00000
131 -0.0293 0.00000
132 0.1234 0.00000
133 -0.1619 0.00000
134 -0.1600 0.00000
135 0.0065 0.00000
136 -0.1636 0.00000
137 0.1917 0.00000
138 -0.4617 0.00000
139 -0.1351 0.00000
140 -0.0190 0.00000
141 -0.1131 0.00000
142 0.2661 0.00000
143 -0.0254 0.00000
144 0.0572 0.00000
145 0.1323 0.00000
146 0.3006 0.00000
147 0.1254 0.00000
148 -0.0239 0.00000
149 -0.0864 0.00000
150 -0.0334 0.00000
151 0.0611 0.00000
152 -0.0112 0.00000
153 0.0323 0.00000
154 -0.0592 0.00000
155 0.0112 0.00000
156 0.0992 0.00000
157 0.0725 0.00000
158 0.1022 0.00000
159 0.3109 0.00000
160 0.0095 0.00000
161 0.0272 0.00000
162 0.1393 0.00000
163 -0.0556 0.00000
164 -0.1194 0.00000
165 -0.1835 0.00000
166 0.2170 0.00000
167 -0.0571 0.00000
168 -0.0083 0.00000
169 0.0902 0.00000
170 0.0469 0.00000
171 0.2590 0.00000
172 -0.1259 0.00000
173 -0.0499 0.00000
174 0.0146 0.00000
175 0.1165 0.00000
176 -0.0265 0.00000
177 0.0378 0.00000
178 0.0029 0.00000
179 -0.0269 0.00000
180 -0.0578 0.00000
181 0.0612 0.00000
182 -0.1582 0.00000
183 0.0146 0.00000
184 0.3897 0.00000
185 -0.0873 0.00000
186 0.0530 0.00000
187 0.1136 0.00000
188 -0.0296 0.00000
189 0.0911 0.00000
190 0.0038 0.00000
191 0.0238 0.00000
192 0.0706 0.00000
193 -0.0692 0.00000
194 0.0302 0.00000
195 0.9178 0.00000
196 -0.1464 0.00000
197 -0.1070 0.00000
198 -0.2057 0.00000
199 -0.1585 0.00000
200 -0.0220 0.00000
201 0.2854 0.00000
202 0.2096 0.00000
203 0.0458 0.00000
204 -0.1664 0.00000
205 0.2616 0.00000
206 -0.0697 0.00000
207 -0.0206 0.00000
208 0.0428 0.00000
209 0.0652 0.00000
210 -0.0044 0.00000
211 0.2735 0.00000
212 0.0578 0.00000
213 -0.0202 0.00000
214 0.0241 0.00000
215 0.1394 0.00000
216 -0.2933 0.00000
217 -0.1147 0.00000
218 -0.3138 0.00000
219 -0.0113 0.00000
220 -0.0032 0.00000
221 -0.1393 0.00000
222 0.0424 0.00000
223 0.0179 0.00000
224 0.1766 0.00000
225 0.5685 0.00000
226 -0.0944 0.00000
227 -0.0029 0.00000
228 0.0219 0.00000
229 -0.1248 0.00000
230 0.0179 0.00000
231 0.0093 0.00000
232 0.0079 0.00000
233 -0.0265 0.00000
234 -0.1620 0.00000
235 0.1606 0.00000
236 0.0825 0.00000
237 0.0521 0.00000
238 0.1144 0.00000
239 0.0506 0.00000
240 0.0496 0.00000
241 0.1126 0.00000
242 -0.0875 0.00000
243 0.0088 0.00000
244 0.0274 0.00000
245 -0.0371 0.00000
246 -0.0491 0.00000
247 -0.0536 0.00000
248 -0.1970 0.00000
249 -0.0664 0.00000
250 -0.0189 0.00000
251 -0.1395 0.00000
252 0.4246 0.00000
253 -0.2115 0.00000
254 -0.0492 0.00000
255 -0.0255 0.00000
256 -0.3264 0.00000
257 0.0325 0.00000
258 -0.0916 0.00000
259 -0.0015 0.00000
260 0.0105 0.00000
261 -0.0156 0.00000
262 -0.0267 0.00000
263 -0.0049 0.00000
264 -0.1089 0.00000
265 -0.0251 0.00000
266 -0.0321 0.00000
267 0.0886 0.00000
268 -0.0124 0.00000
269 0.1065 0.00000
270 -0.0823 0.00000
271 -0.0345 0.00000
272 -0.1851 0.00000
273 0.0520 0.00000
274 -0.3052 0.00000
275 -0.1387 0.00000
276 -0.2602 0.00000
277 -0.0230 0.00000
278 -0.0514 0.00000
279 -0.1165 0.00000
280 -0.0554 0.00000
281 0.1337 0.00000
282 -0.1866 0.00000
283 -0.0190 0.00000
284 0.0912 0.00000
285 0.0774 0.00000
286 -0.0673 0.00000
287 -0.0969 0.00000
288 -0.0233 0.00000
289 0.1296 0.00000
290 -0.0275 0.00000
291 -0.1785 0.00000
292 -0.0371 0.00000
293 0.0127 0.00000
294 0.0697 0.00000
295 0.0282 0.00000
296 0.1058 0.00000
297 -0.1779 0.00000
298 -0.0409 0.00000
299 0.0655 0.00000
300 -0.0267 0.00000
301 -0.1267 0.00000
302 -0.0798 0.00000
303 0.0759 0.00000
304 0.0156 0.00000
305 0.0292 0.00000
306 0.0224 0.00000
307 0.0534 0.00000
308 0.0211 0.00000
309 0.0959 0.00000
310 -0.0091 0.00000
311 0.1067 0.00000
312 -0.0038 0.00000
313 0.0499 0.00000
314 0.1253 0.00000
315 -0.0083 0.00000
316 0.0000 0.00000
317 0.0711 0.00000
318 -0.0002 0.00000
319 -0.0906 0.00000
320 -0.0540 0.00000
321 -0.0115 0.00000
322 -0.0213 0.00000
323 0.0495 0.00000
324 0.0695 0.00000
325 0.0819 0.00000
326 -0.1142 0.00000
327 -0.0040 0.00000
328 -0.0259 0.00000
329 -0.0123 0.00000
330 -0.0362 0.00000
331 -0.0108 0.00000
332 0.0470 0.00000
333 0.0115 0.00000
334 0.0292 0.00000
335 -0.0668 0.00000
336 0.0556 0.00000
337 -0.0074 0.00000
338 0.0649 0.00000
339 -0.0499 0.00000
340 -0.1979 0.00000
341 -0.0331 0.00000
342 0.0072 0.00000
343 0.0455 0.00000
344 0.0532 0.00000
345 0.0063 0.00000
346 0.0666 0.00000
347 0.0238 0.00000
348 -0.0045 0.00000
349 0.0085 0.00000
350 -0.0612 0.00000
351 0.0203 0.00000
352 -0.0246 0.00000
353 0.0046 0.00000
354 0.0850 0.00000
355 -0.0289 0.00000
356 -0.0006 0.00000
357 0.0200 0.00000
358 -0.0198 0.00000
359 0.0109 0.00000
360 -0.0112 0.00000
361 -0.0911 0.00000
362 -0.0716 0.00000
363 -0.0296 0.00000
364 -0.0442 0.00000
365 -0.0405 0.00000
366 0.0377 0.00000
367 0.0070 0.00000
368 0.0448 0.00000
369 -0.0044 0.00000
370 0.0743 0.00000
371 0.0124 0.00000
372 -0.2336 0.00000
373 -0.0466 0.00000
374 -0.0572 0.00000
375 0.0137 0.00000
376 -0.0141 0.00000
377 0.0983 0.00000
378 0.0555 0.00000
379 0.0508 0.00000
380 0.0100 0.00000
381 -0.0458 0.00000
382 0.0281 0.00000
383 0.0228 0.00000
384 0.1586 0.00000
385 0.2184 0.00000
386 -0.1461 0.00000
387 0.0265 0.00000
388 0.1096 0.00000
389 0.1239 0.00000
390 0.0261 0.00000
391 -0.0535 0.00000
392 -0.0401 0.00000
393 0.0205 0.00000
394 0.0181 0.00000
395 0.1305 0.00000
396 0.0115 0.00000
397 -0.0740 0.00000
398 0.2317 0.00000
399 -0.1559 0.00000
400 0.0072 0.00000
401 -0.0971 0.00000
402 0.0025 0.00000
403 0.0783 0.00000
404 -0.0103 0.00000
405 -0.1123 0.00000
406 0.0726 0.00000
407 0.0607 0.00000
408 -0.0792 0.00000
409 0.1018 0.00000
410 -0.0060 0.00000
411 0.0077 0.00000
412 0.1797 0.00000
413 0.0088 0.00000
414 0.0652 0.00000
415 -0.0574 0.00000
416 0.0552 0.00000
417 0.0257 0.00000
418 0.1021 0.00000
419 0.2338 0.00000
420 0.0877 0.00000
421 -0.0083 0.00000
422 0.0187 0.00000
423 -0.0990 0.00000
424 0.0300 0.00000
425 0.0360 0.00000
426 -0.0076 0.00000
427 -0.0041 0.00000
428 0.1668 0.00000
429 -0.0323 0.00000
430 -0.0751 0.00000
431 0.0109 0.00000
432 0.0385 0.00000
433 0.0067 0.00000
434 0.0046 0.00000
435 0.0084 0.00000
436 -0.0886 0.00000
437 0.0033 0.00000
438 0.1045 0.00000
439 0.0549 0.00000
440 0.0527 0.00000
441 0.0212 0.00000
442 0.0312 0.00000
443 0.0748 0.00000
444 -0.0252 0.00000
445 -0.0481 0.00000
446 -0.0260 0.00000
447 0.0368 0.00000
448 0.1952 0.00000
449 0.0487 0.00000
450 -0.1067 0.00000
451 0.0289 0.00000
452 -0.0176 0.00000
453 0.2736 0.00000
454 -0.0328 0.00000
455 0.2165 0.00000
456 -0.0877 0.00000
457 -0.0016 0.00000
458 -0.0172 0.00000
459 0.0606 0.00000
460 -0.0499 0.00000
461 -0.0688 0.00000
462 0.0398 0.00000
463 0.0695 0.00000
464 -0.0921 0.00000
465 0.0938 0.00000
466 0.0468 0.00000
467 0.0111 0.00000
468 -0.0096 0.00000
469 -0.0074 0.00000
470 -0.0134 0.00000
471 -0.1022 0.00000
472 0.0060 0.00000
473 0.0738 0.00000
474 -0.1591 0.00000
475 0.0067 0.00000
476 -0.0281 0.00000
477 0.0005 0.00000
478 -0.0044 0.00000
479 -0.2632 0.00000
480 0.0615 0.00000
481 0.0083 0.00000
482 -0.0793 0.00000
483 0.0658 0.00000
484 -0.0931 0.00000
485 -0.0741 0.00000
486 -0.0015 0.00000
487 0.0281 0.00000
488 -0.0694 0.00000
489 0.0808 0.00000
490 -0.1140 0.00000
491 0.1187 0.00000
492 -0.0800 0.00000
493 0.0889 0.00000
494 0.0409 0.00000
495 0.0314 0.00000
496 0.0030 0.00000
497 0.1473 0.00000
498 0.0324 0.00000
499 0.0767 0.00000
500 -0.0402 0.00000
501 0.0961 0.00000
502 -0.0538 0.00000
503 -0.0613 0.00000
504 0.0312 0.00000
505 -0.0412 0.00000
506 -0.0714 0.00000
507 0.0029 0.00000
508 0.0179 0.00000
509 0.0200 0.00000
510 0.0600 0.00000
511 0.0693 0.00000
512 0.0544 0.00000
513 -0.0172 0.00000
514 0.1254 0.00000
515 -0.0321 0.00000
516 -0.0650 0.00000
517 -0.0485 0.00000
518 0.1184 0.00000
519 0.0228 0.00000
520 -0.0676 0.00000
521 -0.0733 0.00000
522 0.0105 0.00000
523 0.0904 0.00000
524 -0.1039 0.00000
525 0.0006 0.00000
526 0.0196 0.00000
527 -0.0712 0.00000
528 0.0275 0.00000
529 -0.3934 0.00000
530 0.0674 0.00000
531 -0.0394 0.00000
532 0.1351 0.00000
533 0.0317 0.00000
534 -0.1758 0.00000
535 -0.0379 0.00000
536 -0.0524 0.00000
537 -0.0459 0.00000
538 0.0285 0.00000
539 -0.1129 0.00000
540 -0.0180 0.00000
541 -0.3677 0.00000
542 0.0354 0.00000
543 0.0270 0.00000
544 0.0869 0.00000
545 -0.0406 0.00000
546 -0.1105 0.00000
547 0.0541 0.00000
548 0.0148 0.00000
549 -0.0215 0.00000
550 0.0718 0.00000
551 -0.0218 0.00000
552 0.0237 0.00000
553 0.0753 0.00000
554 0.0843 0.00000
555 -0.0288 0.00000
556 0.0710 0.00000
557 -0.0564 0.00000
558 -0.0237 0.00000
559 0.1253 0.00000
560 0.1872 0.00000
561 0.0604 0.00000
562 0.0035 0.00000
563 0.0001 0.00000
564 -0.0676 0.00000
565 -0.0568 0.00000
566 -0.0635 0.00000
567 0.1114 0.00000
568 0.0204 0.00000
569 0.0037 0.00000
570 -0.0827 0.00000
571 -0.0031 0.00000
572 0.0541 0.00000
573 0.0107 0.00000
574 0.0336 0.00000
575 0.1049 0.00000
576 -0.0835 0.00000
577 0.0695 0.00000
578 0.2952 0.00000
579 0.0327 0.00000
580 -0.0058 0.00000
581 -0.0059 0.00000
582 0.1109 0.00000
583 -0.0246 0.00000
584 -0.3987 0.00000
585 0.0788 0.00000
586 0.1024 0.00000
587 0.0082 0.00000
588 0.1231 0.00000
589 -0.0617 0.00000
590 0.4374 0.00000
591 0.0559 0.00000
592 0.1839 0.00000
593 0.0404 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0165 0.00000
597 0.0121 0.00000
598 -0.0329 0.00000
599 0.0611 0.00000
600 -0.0073 0.00000
601 0.0331 0.00000
602 -0.0633 0.00000
603 0.0028 0.00000
604 0.0414 0.00000
605 0.0276 0.00000
606 -0.1250 0.00000
607 -0.0757 0.00000
608 -0.0689 0.00000
609 -0.0750 0.00000
610 -0.1609 0.00000
611 0.0024 0.00000
612 0.1096 0.00000
613 -0.1360 0.00000
614 0.0212 0.00000
615 0.0040 0.00000
616 -0.0387 0.00000
617 -0.0004 0.00000
618 -0.0324 0.00000
619 -0.0628 0.00000
620 0.0082 0.00000
621 -0.0310 0.00000
622 0.0607 0.00000
623 -0.0143 0.00000
624 -0.0536 0.00000
625 -0.0271 0.00000
626 0.0214 0.00000
627 -0.0747 0.00000
628 0.0116 0.00000
629 -0.0343 0.00000
630 -0.0983 0.00000
631 0.0537 0.00000
632 -0.0531 0.00000
633 -0.0481 0.00000
634 0.0240 0.00000
635 -0.0539 0.00000
636 -0.0366 0.00000
637 -0.1112 0.00000
638 0.0748 0.00000
639 -0.0162 0.00000
640 0.0086 0.00000
641 -0.0183 0.00000
642 0.0382 0.00000
643 0.0340 0.00000
644 -0.0299 0.00000
645 -0.0577 0.00000
646 0.0122 0.00000
647 -0.0117 0.00000
648 -0.0693 0.00000
649 0.0645 0.00000
650 -0.0291 0.00000
651 -0.0258 0.00000
652 -0.0397 0.00000
653 -0.0223 0.00000
654 -0.0419 0.00000
655 -0.0080 0.00000
656 -0.0704 0.00000
657 0.0295 0.00000
658 -0.0045 0.00000
659 -0.0286 0.00000
660 -0.0225 0.00000
661 -0.0281 0.00000
662 0.0178 0.00000
663 -0.0328 0.00000
664 -0.0049 0.00000
665 -0.0276 0.00000
666 -0.0052 0.00000
667 0.0074 0.00000
668 -0.0923 0.00000
669 -0.0482 0.00000
670 -0.0355 0.00000
671 -0.0115 0.00000
672 -0.0032 0.00000
673 0.0142 0.00000
674 -0.0439 0.00000
675 -0.0367 0.00000
676 -0.0511 0.00000
677 0.0209 0.00000
678 0.0013 0.00000
679 0.0208 0.00000
680 0.0824 0.00000
681 -0.0404 0.00000
682 -0.0224 0.00000
683 0.0401 0.00000
684 -0.0549 0.00000
685 -0.0490 0.00000
686 -0.0767 0.00000
687 -0.0012 0.00000
688 0.0048 0.00000
689 0.0257 0.00000
690 -0.0839 0.00000
691 -0.0045 0.00000
692 -0.0160 0.00000
693 -0.0252 0.00000
694 0.0378 0.00000
695 0.0179 0.00000
696 -0.0200 0.00000
697 -0.0461 0.00000
698 -0.0079 0.00000
699 0.0296 0.00000
700 0.0095 0.00000
701 0.0036 0.00000
702 -0.0798 0.00000
703 -0.0650 0.00000
704 -0.0192 0.00000
705 0.0111 0.00000
706 0.0737 0.00000
707 0.0658 0.00000
708 -0.0197 0.00000
709 -0.0400 0.00000
710 -0.1217 0.00000
711 -0.0154 0.00000
712 -0.0793 0.00000
713 -0.0476 0.00000
714 0.0528 0.00000
715 0.0777 0.00000
716 -0.0216 0.00000
717 0.0022 0.00000
718 0.0889 0.00000
719 -0.0061 0.00000
720 -0.0288 0.00000
721 -0.0095 0.00000
722 -0.0114 0.00000
723 -0.0152 0.00000
724 -0.0611 0.00000
725 0.0284 0.00000
726 -0.1544 0.00000
727 0.0194 0.00000
728 -0.0211 0.00000
729 -0.0203 0.00000
730 -0.0008 0.00000
731 0.0197 0.00000
732 -0.0158 0.00000
733 0.0124 0.00000
734 -0.0330 0.00000
735 0.0096 0.00000
736 -0.0305 0.00000
737 -0.0557 0.00000
738 -0.0486 0.00000
739 -0.0297 0.00000
740 -0.0700 0.00000
741 -0.0280 0.00000
742 -0.0102 0.00000
743 -0.0543 0.00000
744 -0.0424 0.00000
745 -0.0029 0.00000
746 -0.0251 0.00000
747 -0.0330 0.00000
748 -0.0299 0.00000
749 0.0230 0.00000
750 0.0046 0.00000
751 -0.0626 0.00000
752 -0.0217 0.00000
753 -0.0194 0.00000
754 0.0156 0.00000
755 0.1156 0.00000
756 0.0430 0.00000
757 0.0089 0.00000
758 -0.1531 0.00000
759 0.0102 0.00000
760 -0.0016 0.00000
761 -0.1067 0.00000
762 -0.0008 0.00000
763 -0.0195 0.00000
764 -0.0112 0.00000
765 0.0141 0.00000
766 0.0419 0.00000
767 0.0986 0.00000
768 0.0408 0.00000
769 0.0091 0.00000
770 -0.0340 0.00000
771 -0.0079 0.00000
772 -0.0085 0.00000
773 -0.0190 0.00000
774 0.0054 0.00000
775 -0.0126 0.00000
776 -0.0143 0.00000
777 -0.0371 0.00000
778 0.0353 0.00000
779 0.0100 0.00000
780 -0.0132 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0072 0.00000
3 -0.0690 0.00000
4 -0.1453 0.00000
5 -0.1730 0.00000
6 -0.0677 0.00000
7 -0.0367 0.00000
8 -0.0108 0.00000
9 -0.1595 0.00000
10 0.0041 0.00000
11 0.0234 0.00000
12 0.0357 0.00000
13 0.0280 0.00000
14 -0.0535 0.00000
15 -0.0793 0.00000
16 0.1881 0.00000
17 -0.0056 0.00000
18 0.0200 0.00000
19 0.0467 0.00000
20 -0.0502 0.00000
21 -0.1382 0.00000
22 0.0533 0.00000
23 -0.0273 0.00000
24 0.1826 0.00000
25 0.1491 0.00000
26 0.3269 0.00000
27 0.5806 0.00000
28 -0.0180 0.00000
29 0.0426 0.00000
30 0.8411 0.00000
31 0.1471 0.00000
32 0.0008 0.00000
33 -0.1069 0.00000
34 -0.2111 0.00000
35 -0.0287 0.00000
36 0.0346 0.00000
37 0.0341 0.00000
38 -0.0155 0.00000
39 0.0694 0.00000
40 -0.1375 0.00000
41 -0.1051 0.00000
42 0.0395 0.00000
43 -0.3197 0.00000
44 -0.1333 0.00000
45 -0.0072 0.00000
46 0.3014 0.00000
47 0.0680 0.00000
48 0.0559 0.00000
49 0.0564 0.00000
50 0.0703 0.00000
51 -0.0289 0.00000
52 0.2578 0.00000
53 0.0616 0.00000
54 -0.0433 0.00000
55 0.0346 0.00000
56 0.3849 0.00000
57 -0.2163 0.00000
58 -0.1254 0.00000
59 -0.0157 0.00000
60 0.6570 0.00000
61 -0.0304 0.00000
62 0.4375 0.00000
63 0.1578 0.00000
64 0.4236 0.00000
65 -0.2141 0.00000
66 -0.1459 0.00000
67 -0.0742 0.00000
68 0.6643 0.00000
69 -0.0129 0.00000
70 -0.0269 0.00000
71 -0.3856 0.00000
72 0.0009 0.00000
73 0.0257 0.00000
74 -0.0245 0.00000
75 -0.0482 0.00000
76 0.1865 0.00000
77 0.0808 0.00000
78 -0.1113 0.00000
79 0.3556 0.00000
80 0.1458 0.00000
81 -0.5220 0.00000
82 0.0660 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0385 0.00000
90 -0.1473 0.00000
91 -0.0307 0.00000
92 -0.0108 0.00000
93 -0.0151 0.00000
94 0.3608 0.00000
95 0.1936 0.00000
96 0.3154 0.00000
97 -0.0793 0.00000
98 -0.2879 0.00000
99 -0.0171 0.00000
100 -0.0125 0.00000
101 -0.0989 0.00000
102 -0.2187 0.00000
103 -0.1497 0.00000
104 0.0417 0.00000
105 -0.2141 0.00000
106 -0.0522 0.00000
107 0.0592 0.00000
108 -0.6852 0.00000
109 -0.4056 0.00000
110 -0.0275 0.00000
111 -0.2054 0.00000
112 0.0419 0.00000
113 -0.0397 0.00000
114 -0.0439 0.00000
115 -0.3624 0.00000
116 0.0904 0.00000
117 -0.1232 0.00000
118 0.1513 0.00000
119 -0.0247 0.00000
120 0.1040 0.00000
121 -0.2629 0.00000
122 -0.1971 0.00000
123 -0.1938 0.00000
124 0.5546 0.00000
125 0.0020 0.00000
126 -0.2749 0.00000
127 0.1547 0.00000
128 -0.0694 0.00000
129 0.4574 0.00000
130 -0.1733 0.00000
131 -0.0191 0.00000
132 0.0155 0.00000
133 -0.0569 0.00000
134 -0.1599 0.00000
135 0.0065 0.00000
136 -0.2033 0.00000
137 0.2933 0.00000
138 -0.5121 0.00000
139 -0.1501 0.00000
140 -0.0187 0.00000
141 -0.1138 0.00000
142 0.2590 0.00000
143 -0.0188 0.00000
144 0.0587 0.00000
145 0.1257 0.00000
146 0.3022 0.00000
147 0.1294 0.00000
148 -0.0277 0.00000
149 -0.0855 0.00000
150 -0.0636 0.00000
151 0.0662 0.00000
152 0.1207 0.00000
153 -0.0318 0.00000
154 -0.0150 0.00000
155 0.1122 0.00000
156 -0.0659 0.00000
157 0.0266 0.00000
158 0.0160 0.00000
159 0.1953 0.00000
160 0.1337 0.00000
161 0.0228 0.00000
162 0.0829 0.00000
163 -0.0902 0.00000
164 -0.0981 0.00000
165 -0.0347 0.00000
166 0.0160 0.00000
167 0.5422 0.00000
168 -0.0585 0.00000
169 -0.1105 0.00000
170 0.0595 0.00000
171 0.1968 0.00000
172 -0.0777 0.00000
173 0.0117 0.00000
174 -0.1128 0.00000
175 -0.0315 0.00000
176 -0.0701 0.00000
177 -0.0687 0.00000
178 0.1038 0.00000
179 -0.1118 0.00000
180 0.0567 0.00000
181 0.1729 0.00000
182 0.0725 0.00000
183 -0.0194 0.00000
184 0.2318 0.00000
185 -0.0326 0.00000
186 0.1135 0.00000
187 -0.0232 0.00000
188 -0.0619 0.00000
189 -0.0580 0.00000
190 0.0475 0.00000
191 0.0382 0.00000
192 -0.0066 0.00000
193 0.0418 0.00000
194 0.4771 0.00000
195 0.4283 0.00000
196 -0.2038 0.00000
197 -0.1003 0.00000
198 -0.0220 0.00000
199 -0.2205 0.00000
200 0.0263 0.00000
201 0.1456 0.00000
202 0.1296 0.00000
203 0.2743 0.00000
204 0.0310 0.00000
205 -0.0433 0.00000
206 0.0211 0.00000
207 -0.0657 0.00000
208 0.1418 0.00000
209 -0.0144 0.00000
210 0.0499 0.00000
211 0.1844 0.00000
212 0.0276 0.00000
213 -0.0030 0.00000
214 0.1074 0.00000
215 0.0640 0.00000
216 -0.2682 0.00000
217 -0.2653 0.00000
218 -0.1425 0.00000
219 0.0250 0.00000
220 -0.0070 0.00000
221 -0.0753 0.00000
222 0.0421 0.00000
223 0.0408 0.00000
224 0.1343 0.00000
225 0.3536 0.00000
226 0.0872 0.00000
227 -0.0042 0.00000
228 0.0135 0.00000
229 -0.1199 0.00000
230 0.0256 0.00000
231 0.0093 0.00000
232 0.0164 0.00000
233 -0.0370 0.00000
234 -0.1911 0.00000
235 0.1466 0.00000
236 0.0251 0.00000
237 -0.0036 0.00000
238 0.3809 0.00000
239 0.0398 0.00000
240 -0.0357 0.00000
241 0.0282 0.00000
242 0.0159 0.00000
243 -0.0432 0.00000
244 0.0024 0.00000
245 0.0083 0.00000
246 -0.0549 0.00000
247 -0.0276 0.00000
248 -0.1379 0.00000
249 -0.0797 0.00000
250 -0.1659 0.00000
251 -0.0585 0.00000
252 0.1457 0.00000
253 0.0219 0.00000
254 0.0418 0.00000
255 -0.1842 0.00000
256 -0.0999 0.00000
257 -0.1828 0.00000
258 -0.0896 0.00000
259 0.0157 0.00000
260 0.0867 0.00000
261 -0.0311 0.00000
262 -0.0269 0.00000
263 0.0000 0.00000
264 0.0234 0.00000
265 -0.0065 0.00000
266 -0.0665 0.00000
267 -0.0282 0.00000
268 -0.1907 0.00000
269 -0.2253 0.00000
270 0.1071 0.00000
271 0.0063 0.00000
272 -0.0316 0.00000
273 -0.0764 0.00000
274 -0.1904 0.00000
275 -0.0609 0.00000
276 -0.1156 0.00000
277 -0.0920 0.00000
278 -0.0618 0.00000
279 -0.0000 0.00000
280 -0.0879 0.00000
281 0.0372 0.00000
282 0.0173 0.00000
283 -0.0329 0.00000
284 -0.0309 0.00000
285 0.0475 0.00000
286 0.0357 0.00000
287 0.0197 0.00000
288 -0.0435 0.00000
289 -0.1799 0.00000
290 -0.0811 0.00000
291 0.0438 0.00000
292 -0.0742 0.00000
293 0.0423 0.00000
294 0.0642 0.00000
295 0.1030 0.00000
296 -0.1282 0.00000
297 -0.0511 0.00000
298 -0.1247 0.00000
299 0.0104 0.00000
300 0.0603 0.00000
301 0.0748 0.00000
302 0.1263 0.00000
303 -0.0494 0.00000
304 -0.0571 0.00000
305 0.0448 0.00000
306 -0.0279 0.00000
307 -0.0381 0.00000
308 0.0558 0.00000
309 0.0233 0.00000
310 0.0173 0.00000
311 0.0980 0.00000
312 0.0293 0.00000
313 0.0595 0.00000
314 0.0130 0.00000
315 -0.0125 0.00000
316 0.0128 0.00000
317 -0.0463 0.00000
318 -0.0094 0.00000
319 0.0173 0.00000
320 0.0200 0.00000
321 -0.0948 0.00000
322 0.0423 0.00000
323 0.0023 0.00000
324 0.0488 0.00000
325 -0.0047 0.00000
326 0.0299 0.00000
327 -0.0072 0.00000
328 0.0679 0.00000
329 0.0041 0.00000
330 -0.0438 0.00000
331 -0.0756 0.00000
332 -0.0763 0.00000
333 -0.0234 0.00000
334 0.0134 0.00000
335 0.0411 0.00000
336 -0.1290 0.00000
337 0.0250 0.00000
338 0.0725 0.00000
339 0.0967 0.00000
340 -0.1508 0.00000
341 -0.0429 0.00000
342 -0.0345 0.00000
343 0.0614 0.00000
344 -0.0473 0.00000
345 0.0276 0.00000
346 0.0058 0.00000
347 0.0196 0.00000
348 0.1027 0.00000
349 0.0715 0.00000
350 0.0753 0.00000
351 -0.0775 0.00000
352 -0.0125 0.00000
353 0.0040 0.00000
354 0.0105 0.00000
355 -0.0403 0.00000
356 -0.0585 0.00000
357 0.0116 0.00000
358 -0.0551 0.00000
359 0.0087 0.00000
360 -0.0295 0.00000
361 -0.2020 0.00000
362 0.1329 0.00000
363 -0.0053 0.00000
364 -0.0647 0.00000
365 0.0175 0.00000
366 0.0010 0.00000
367 -0.0776 0.00000
368 0.0403 0.00000
369 -0.0084 0.00000
370 -0.0245 0.00000
371 -0.1920 0.00000
372 0.0588 0.00000
373 0.0536 0.00000
374 0.0424 0.00000
375 0.0286 0.00000
376 -0.0230 0.00000
377 -0.0095 0.00000
378 0.0731 0.00000
379 -0.0145 0.00000
380 0.1471 0.00000
381 0.1503 0.00000
382 0.0062 0.00000
383 -0.0294 0.00000
384 -0.0070 0.00000
385 -0.0091 0.00000
386 0.0502 0.00000
387 0.0921 0.00000
388 0.0409 0.00000
389 0.0265 0.00000
390 0.0527 0.00000
391 -0.0050 0.00000
392 0.0412 0.00000
393 0.0096 0.00000
394 -0.0507 0.00000
395 0.0089 0.00000
396 0.0335 0.00000
397 0.2057 0.00000
398 -0.0230 0.00000
399 -0.0645 0.00000
400 0.0009 0.00000
401 0.0035 0.00000
402 -0.0355 0.00000
403 -0.0109 0.00000
404 -0.0705 0.00000
405 0.2572 0.00000
406 0.0231 0.00000
407 -0.0512 0.00000
408 -0.0714 0.00000
409 0.0464 0.00000
410 0.0071 0.00000
411 0.1930 0.00000
412 0.1093 0.00000
413 0.0442 0.00000
414 -0.0081 0.00000
415 0.0301 0.00000
416 -0.0234 0.00000
417 -0.0458 0.00000
418 0.1977 0.00000
419 0.0734 0.00000
420 -0.0079 0.00000
421 0.1661 0.00000
422 -0.1247 0.00000
423 -0.0023 0.00000
424 -0.0055 0.00000
425 0.0097 0.00000
426 -0.0154 0.00000
427 -0.0648 0.00000
428 -0.0125 0.00000
429 -0.0072 0.00000
430 0.1192 0.00000
431 0.0568 0.00000
432 0.0658 0.00000
433 0.1355 0.00000
434 0.0211 0.00000
435 0.0156 0.00000
436 0.0216 0.00000
437 0.0139 0.00000
438 -0.0358 0.00000
439 -0.0291 0.00000
440 0.0067 0.00000
441 0.2485 0.00000
442 -0.0273 0.00000
443 -0.0014 0.00000
444 -0.0253 0.00000
445 -0.0473 0.00000
446 -0.0633 0.00000
447 -0.0018 0.00000
448 0.0556 0.00000
449 0.0755 0.00000
450 -0.0190 0.00000
451 0.0514 0.00000
452 0.0472 0.00000
453 0.0994 0.00000
454 0.1308 0.00000
455 0.0605 0.00000
456 0.0091 0.00000
457 0.0116 0.00000
458 -0.0178 0.00000
459 -0.0524 0.00000
460 -0.0938 0.00000
461 -0.0780 0.00000
462 0.0395 0.00000
463 -0.0223 0.00000
464 -0.0088 0.00000
465 -0.0699 0.00000
466 -0.0126 0.00000
467 0.1036 0.00000
468 0.0925 0.00000
469 -0.1594 0.00000
470 -0.0056 0.00000
471 -0.0205 0.00000
472 0.0970 0.00000
473 -0.0912 0.00000
474 -0.0617 0.00000
475 -0.0156 0.00000
476 -0.0023 0.00000
477 -0.1414 0.00000
478 0.0565 0.00000
479 0.0400 0.00000
480 -0.0422 0.00000
481 -0.0603 0.00000
482 -0.0406 0.00000
483 -0.0158 0.00000
484 0.0457 0.00000
485 0.0275 0.00000
486 -0.0021 0.00000
487 0.0491 0.00000
488 0.0006 0.00000
489 -0.0919 0.00000
490 0.1225 0.00000
491 -0.0399 0.00000
492 -0.0255 0.00000
493 0.0262 0.00000
494 -0.0046 0.00000
495 0.0704 0.00000
496 -0.0667 0.00000
497 0.0463 0.00000
498 0.0084 0.00000
499 0.0834 0.00000
500 0.0073 0.00000
501 0.1327 0.00000
502 0.0142 0.00000
503 0.0318 0.00000
504 0.0062 0.00000
505 0.1616 0.00000
506 -0.0714 0.00000
507 0.0027 0.00000
508 -0.0185 0.00000
509 0.0811 0.00000
510 -0.0487 0.00000
511 -0.0185 0.00000
512 0.0048 0.00000
513 0.0550 0.00000
514 0.0613 0.00000
515 -0.1312 0.00000
516 0.0652 0.00000
517 -0.0536 0.00000
518 0.0911 0.00000
519 -0.0433 0.00000
520 0.0110 0.00000
521 -0.0009 0.00000
522 -0.0168 0.00000
523 -0.1054 0.00000
524 -0.0043 0.00000
525 -0.0725 0.00000
526 -0.1786 0.00000
527 0.0047 0.00000
528 -0.0987 0.00000
529 -0.0556 0.00000
530 -0.1041 0.00000
531 -0.0296 0.00000
532 0.2247 0.00000
533 -0.0724 0.00000
534 -0.0527 0.00000
535 -0.0817 0.00000
536 -0.2729 0.00000
537 -0.0725 0.00000
538 0.1391 0.00000
539 -0.1234 0.00000
540 -0.0511 0.00000
541 -0.0111 0.00000
542 -0.1489 0.00000
543 -0.1224 0.00000
544 0.0344 0.00000
545 0.1084 0.00000
546 0.0590 0.00000
547 -0.0267 0.00000
548 0.0090 0.00000
549 0.0365 0.00000
550 0.0628 0.00000
551 0.1209 0.00000
552 -0.1048 0.00000
553 0.0291 0.00000
554 -0.0099 0.00000
555 0.0478 0.00000
556 0.1149 0.00000
557 -0.0059 0.00000
558 -0.0384 0.00000
559 0.0754 0.00000
560 0.1957 0.00000
561 -0.0478 0.00000
562 0.0622 0.00000
563 0.1391 0.00000
564 -0.0011 0.00000
565 -0.1593 0.00000
566 -0.0726 0.00000
567 -0.0085 0.00000
568 0.1019 0.00000
569 -0.0409 0.00000
570 0.0244 0.00000
571 0.0617 0.00000
572 -0.0231 0.00000
573 0.2328 0.00000
574 0.0219 0.00000
575 -0.0416 0.00000
576 0.0428 0.00000
577 -0.0499 0.00000
578 -0.0377 0.00000
579 0.2745 0.00000
580 0.0666 0.00000
581 0.1207 0.00000
582 -0.2014 0.00000
583 0.1261 0.00000
584 -0.4560 0.00000
585 0.1063 0.00000
586 0.0866 0.00000
587 -0.0293 0.00000
588 0.1320 0.00000
589 -0.0651 0.00000
590 0.3359 0.00000
591 0.1692 0.00000
592 0.1598 0.00000
593 0.0491 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0166 0.00000
597 0.0123 0.00000
598 -0.0259 0.00000
599 0.0700 0.00000
600 -0.0535 0.00000
601 0.0439 0.00000
602 -0.0334 0.00000
603 -0.0924 0.00000
604 0.0164 0.00000
605 0.0365 0.00000
606 -0.0997 0.00000
607 -0.0031 0.00000
608 -0.0314 0.00000
609 0.0112 0.00000
610 -0.1036 0.00000
611 0.0355 0.00000
612 -0.0278 0.00000
613 -0.0350 0.00000
614 -0.0229 0.00000
615 -0.0091 0.00000
616 -0.0880 0.00000
617 -0.0929 0.00000
618 0.0303 0.00000
619 -0.0208 0.00000
620 -0.0279 0.00000
621 -0.0268 0.00000
622 -0.0965 0.00000
623 0.0071 0.00000
624 -0.0821 0.00000
625 0.0441 0.00000
626 0.0015 0.00000
627 -0.0167 0.00000
628 -0.0630 0.00000
629 -0.0414 0.00000
630 -0.0228 0.00000
631 -0.0401 0.00000
632 -0.0915 0.00000
633 -0.0220 0.00000
634 0.0045 0.00000
635 -0.0200 0.00000
636 0.0381 0.00000
637 0.0775 0.00000
638 -0.0434 0.00000
639 -0.0773 0.00000
640 0.0074 0.00000
641 -0.1773 0.00000
642 0.0590 0.00000
643 0.0003 0.00000
644 0.0190 0.00000
645 0.0456 0.00000
646 0.0216 0.00000
647 0.0038 0.00000
648 -0.0090 0.00000
649 0.0224 0.00000
650 -0.0438 0.00000
651 0.0226 0.00000
652 -0.0777 0.00000
653 0.0159 0.00000
654 -0.0311 0.00000
655 -0.0457 0.00000
656 -0.0104 0.00000
657 -0.0377 0.00000
658 -0.0019 0.00000
659 -0.0217 0.00000
660 -0.0078 0.00000
661 -0.0438 0.00000
662 0.0512 0.00000
663 -0.0469 0.00000
664 0.0032 0.00000
665 -0.0865 0.00000
666 -0.0777 0.00000
667 0.0305 0.00000
668 0.0486 0.00000
669 -0.0305 0.00000
670 0.0135 0.00000
671 0.0901 0.00000
672 -0.0306 0.00000
673 -0.0490 0.00000
674 -0.0455 0.00000
675 0.0379 0.00000
676 -0.0338 0.00000
677 -0.0799 0.00000
678 -0.0683 0.00000
679 -0.0023 0.00000
680 -0.0185 0.00000
681 -0.0668 0.00000
682 0.0014 0.00000
683 -0.0517 0.00000
684 0.0168 0.00000
685 0.0134 0.00000
686 -0.0201 0.00000
687 0.0436 0.00000
688 -0.0666 0.00000
689 -0.1053 0.00000
690 -0.0813 0.00000
691 -0.0136 0.00000
692 0.0630 0.00000
693 -0.0092 0.00000
694 -0.0011 0.00000
695 0.0255 0.00000
696 -0.0142 0.00000
697 -0.0548 0.00000
698 0.0094 0.00000
699 0.0138 0.00000
700 -0.0006 0.00000
701 0.0195 0.00000
702 0.0247 0.00000
703 -0.0825 0.00000
704 0.0248 0.00000
705 0.0607 0.00000
706 -0.0410 0.00000
707 -0.1233 0.00000
708 -0.0146 0.00000
709 0.0085 0.00000
710 -0.0555 0.00000
711 0.0254 0.00000
712 -0.0079 0.00000
713 -0.0046 0.00000
714 0.0472 0.00000
715 -0.0229 0.00000
716 -0.0398 0.00000
717 0.0063 0.00000
718 -0.0519 0.00000
719 0.0747 0.00000
720 -0.0278 0.00000
721 0.0109 0.00000
722 -0.0661 0.00000
723 -0.0017 0.00000
724 -0.1466 0.00000
725 0.0487 0.00000
726 -0.0029 0.00000
727 -0.0367 0.00000
728 0.0028 0.00000
729 0.0573 0.00000
730 -0.0160 0.00000
731 -0.0144 0.00000
732 -0.0121 0.00000
733 -0.0237 0.00000
734 -0.0000 0.00000
735 -0.0868 0.00000
736 -0.0052 0.00000
737 -0.0049 0.00000
738 -0.0662 0.00000
739 -0.0856 0.00000
740 0.0522 0.00000
741 0.0200 0.00000
742 -0.0405 0.00000
743 -0.0066 0.00000
744 -0.0186 0.00000
745 -0.0080 0.00000
746 -0.0319 0.00000
747 -0.0294 0.00000
748 -0.0111 0.00000
749 -0.0322 0.00000
750 -0.0588 0.00000
751 0.0198 0.00000
752 -0.0089 0.00000
753 0.0040 0.00000
754 -0.0291 0.00000
755 -0.0401 0.00000
756 -0.0886 0.00000
757 0.0072 0.00000
758 0.0615 0.00000
759 0.0370 0.00000
760 -0.0026 0.00000
761 0.0030 0.00000
762 0.0470 0.00000
763 -0.0184 0.00000
764 -0.0210 0.00000
765 -0.0180 0.00000
766 -0.0225 0.00000
767 0.0844 0.00000
768 -0.0000 0.00000
769 -0.0075 0.00000
770 -0.0060 0.00000
771 -0.0044 0.00000
772 -0.0297 0.00000
773 0.0091 0.00000
774 -0.0125 0.00000
775 0.0139 0.00000
776 -0.0037 0.00000
777 -0.0063 0.00000
778 0.0478 0.00000
779 0.0190 0.00000
780 -0.0160 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0072 0.00000
3 -0.0690 0.00000
4 -0.1446 0.00000
5 -0.1740 0.00000
6 -0.0675 0.00000
7 -0.0365 0.00000
8 -0.0104 0.00000
9 -0.1598 0.00000
10 0.0040 0.00000
11 0.0231 0.00000
12 0.0358 0.00000
13 0.0278 0.00000
14 -0.0533 0.00000
15 -0.0793 0.00000
16 0.1672 0.00000
17 0.0527 0.00000
18 -0.0211 0.00000
19 0.0796 0.00000
20 -0.0736 0.00000
21 -0.1379 0.00000
22 0.0457 0.00000
23 -0.0036 0.00000
24 0.1518 0.00000
25 0.0843 0.00000
26 0.5231 0.00000
27 0.4723 0.00000
28 -0.0214 0.00000
29 0.1139 0.00000
30 0.8311 0.00000
31 0.0555 0.00000
32 0.0192 0.00000
33 -0.0939 0.00000
34 -0.2068 0.00000
35 -0.0480 0.00000
36 0.0619 0.00000
37 -0.0240 0.00000
38 0.0039 0.00000
39 0.0893 0.00000
40 -0.1406 0.00000
41 -0.1141 0.00000
42 0.0529 0.00000
43 -0.3159 0.00000
44 -0.1927 0.00000
45 0.0137 0.00000
46 0.0962 0.00000
47 0.2783 0.00000
48 0.0340 0.00000
49 0.1449 0.00000
50 0.2668 0.00000
51 -0.0285 0.00000
52 0.0035 0.00000
53 0.0213 0.00000
54 0.0835 0.00000
55 -0.0816 0.00000
56 0.3429 0.00000
57 -0.2214 0.00000
58 -0.1202 0.00000
59 0.6041 0.00000
60 0.0728 0.00000
61 0.0489 0.00000
62 -0.0378 0.00000
63 0.3140 0.00000
64 0.6326 0.00000
65 -0.2139 0.00000
66 -0.1393 0.00000
67 0.1387 0.00000
68 0.5215 0.00000
69 -0.0201 0.00000
70 -0.3899 0.00000
71 -0.0108 0.00000
72 0.0006 0.00000
73 0.0301 0.00000
74 -0.0239 0.00000
75 -0.0379 0.00000
76 0.1718 0.00000
77 0.0835 0.00000
78 -0.1099 0.00000
79 0.3504 0.00000
80 0.1490 0.00000
81 -0.5253 0.00000
82 0.0658 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0397 0.00000
90 -0.1489 0.00000
91 -0.0300 0.00000
92 -0.0296 0.00000
93 0.0187 0.00000
94 0.3490 0.00000
95 0.2153 0.00000
96 0.2578 0.00000
97 -0.0693 0.00000
98 -0.1760 0.00000
99 -0.0529 0.00000
100 -0.2018 0.00000
101 0.0684 0.00000
102 -0.2775 0.00000
103 -0.1688 0.00000
104 0.0337 0.00000
105 -0.1174 0.00000
106 -0.0070 0.00000
107 -0.3825 0.00000
108 -0.1772 0.00000
109 -0.8079 0.00000
110 0.0306 0.00000
111 -0.0903 0.00000
112 0.0425 0.00000
113 0.0498 0.00000
114 -0.1291 0.00000
115 -0.2309 0.00000
116 0.1212 0.00000
117 -0.1935 0.00000
118 0.1172 0.00000
119 0.0149 0.00000
120 0.0608 0.00000
121 -0.2475 0.00000
122 -0.2162 0.00000
123 -0.0396 0.00000
124 0.3778 0.00000
125 0.0335 0.00000
126 -0.2593 0.00000
127 0.0768 0.00000
128 -0.0023 0.00000
129 0.4162 0.00000
130 -0.1156 0.00000
131 -0.0190 0.00000
132 0.1003 0.00000
133 -0.1615 0.00000
134 -0.1602 0.00000
135 0.0065 0.00000
136 -0.2087 0.00000
137 0.2811 0.00000
138 -0.5147 0.00000
139 -0.1282 0.00000
140 0.0075 0.00000
141 -0.1127 0.00000
142 0.2645 0.00000
143 -0.0453 0.00000
144 0.0558 0.00000
145 0.1328 0.00000
146 0.3024 0.00000
147 0.1258 0.00000
148 -0.0260 0.00000
149 -0.0821 0.00000
150 -0.0707 0.00000
151 0.0406 0.00000
152 0.1419 0.00000
153 -0.0069 0.00000
154 -0.0203 0.00000
155 -0.0143 0.00000
156 0.0216 0.00000
157 -0.0072 0.00000
158 0.0031 0.00000
159 0.2852 0.00000
160 0.1172 0.00000
161 0.1083 0.00000
162 0.1111 0.00000
163 -0.1557 0.00000
164 -0.1095 0.00000
165 -0.1021 0.00000
166 0.4801 0.00000
167 0.0368 0.00000
168 0.0281 0.00000
169 0.0348 0.00000
170 0.0557 0.00000
171 -0.0332 0.00000
172 -0.0168 0.00000
173 -0.0982 0.00000
174 0.0045 0.00000
175 -0.0424 0.00000
176 0.0754 0.00000
177 -0.1105 0.00000
178 -0.0761 0.00000
179 0.0815 0.00000
180 -0.0741 0.00000
181 0.1064 0.00000
182 0.0142 0.00000
183 0.3590 0.00000
184 0.0541 0.00000
185 -0.0534 0.00000
186 0.0152 0.00000
187 0.0310 0.00000
188 -0.0394 0.00000
189 0.0564 0.00000
190 -0.0524 0.00000
191 0.0375 0.00000
192 -0.0181 0.00000
193 0.3732 0.00000
194 0.3133 0.00000
195 0.0138 0.00000
196 0.1398 0.00000
197 -0.0945 0.00000
198 -0.1559 0.00000
199 -0.1255 0.00000
200 0.1074 0.00000
201 0.0988 0.00000
202 0.0966 0.00000
203 -0.0180 0.00000
204 0.2908 0.00000
205 0.0158 0.00000
206 -0.1138 0.00000
207 0.0363 0.00000
208 0.0233 0.00000
209 0.0308 0.00000
210 0.0927 0.00000
211 0.1614 0.00000
212 0.0088 0.00000
213 0.0511 0.00000
214 0.0932 0.00000
215 0.1005 0.00000
216 -0.4519 0.00000
217 0.0687 0.00000
218 -0.2474 0.00000
219 -0.0478 0.00000
220 -0.1436 0.00000
221 -0.0330 0.00000
222 0.0299 0.00000
223 -0.0132 0.00000
224 0.1308 0.00000
225 0.5731 0.00000
226 0.0002 0.00000
227 -0.0227 0.00000
228 0.0210 0.00000
229 -0.1370 0.00000
230 0.0260 0.00000
231 0.0085 0.00000
232 -0.0114 0.00000
233 -0.0077 0.00000
234 -0.1655 0.00000
235 0.2326 0.00000
236 0.0169 0.00000
237 0.0107 0.00000
238 0.1567 0.00000
239 0.0799 0.00000
240 0.0576 0.00000
241 0.0630 0.00000
242 -0.0266 0.00000
243 -0.0850 0.00000
244 -0.0128 0.00000
245 0.0449 0.00000
246 0.0023 0.00000
247 -0.1382 0.00000
248 -0.1818 0.00000
249 -0.0433 0.00000
250 -0.0548 0.00000
251 0.0504 0.00000
252 -0.0448 0.00000
253 0.1476 0.00000
254 -0.0132 0.00000
255 -0.1996 0.00000
256 -0.0759 0.00000
257 -0.4270 0.00000
258 0.1072 0.00000
259 0.0830 0.00000
260 -0.0217 0.00000
261 0.0006 0.00000
262 0.0919 0.00000
263 0.0162 0.00000
264 -0.0958 0.00000
265 -0.0543 0.00000
266 -0.0341 0.00000
267 0.0293 0.00000
268 0.0893 0.00000
269 -0.1393 0.00000
270 0.0437 0.00000
271 -0.0716 0.00000
272 -0.1864 0.00000
273 0.0158 0.00000
274 -0.3076 0.00000
275 -0.0138 0.00000
276 -0.1758 0.00000
277 -0.1554 0.00000
278 -0.0130 0.00000
279 0.0483 0.00000
280 -0.1130 0.00000
281 -0.0806 0.00000
282 0.0227 0.00000
283 -0.1095 0.00000
284 -0.0204 0.00000
285 -0.0530 0.00000
286 0.0977 0.00000
287 -0.0152 0.00000
288 0.0431 0.00000
289 -0.0377 0.00000
290 -0.1556 0.00000
291 -0.0884 0.00000
292 0.0205 0.00000
293 0.0033 0.00000
294 0.0564 0.00000
295 -0.1519 0.00000
296 -0.0312 0.00000
297 0.1380 0.00000
298 0.0601 0.00000
299 -0.0037 0.00000
300 -0.0078 0.00000
301 0.0103 0.00000
302 -0.0374 0.00000
303 0.0062 0.00000
304 -0.1341 0.00000
305 -0.0592 0.00000
306 0.1736 0.00000
307 -0.0086 0.00000
308 0.0477 0.00000
309 0.1067 0.00000
310 -0.0382 0.00000
311 0.0486 0.00000
312 0.0706 0.00000
313 0.0652 0.00000
314 0.1415 0.00000
315 0.0018 0.00000
316 0.0230 0.00000
317 0.0183 0.00000
318 0.0133 0.00000
319 -0.0370 0.00000
320 0.0868 0.00000
321 -0.0691 0.00000
322 -0.0352 0.00000
323 -0.0119 0.00000
324 -0.0714 0.00000
325 0.0188 0.00000
326 0.0113 0.00000
327 -0.0530 0.00000
328 -0.0689 0.00000
329 -0.0504 0.00000
330 0.0019 0.00000
331 0.0278 0.00000
332 0.0196 0.00000
333 0.0068 0.00000
334 -0.0476 0.00000
335 -0.0346 0.00000
336 0.0059 0.00000
337 -0.0238 0.00000
338 0.0947 0.00000
339 0.0253 0.00000
340 -0.0130 0.00000
341 -0.0411 0.00000
342 -0.0246 0.00000
343 0.0683 0.00000
344 0.0155 0.00000
345 0.0042 0.00000
346 -0.0176 0.00000
347 0.0993 0.00000
348 0.0619 0.00000
349 -0.0397 0.00000
350 0.1052 0.00000
351 -0.0494 0.00000
352 0.0631 0.00000
353 -0.0666 0.00000
354 0.0210 0.00000
355 -0.0044 0.00000
356 -0.0513 0.00000
357 -0.0864 0.00000
358 0.1156 0.00000
359 -0.1208 0.00000
360 -0.1064 0.00000
361 -0.0279 0.00000
362 -0.1164 0.00000
363 0.0060 0.00000
364 -0.0468 0.00000
365 0.0061 0.00000
366 0.0102 0.00000
367 -0.0035 0.00000
368 0.0109 0.00000
369 -0.0455 0.00000
370 0.0727 0.00000
371 0.0079 0.00000
372 0.0130 0.00000
373 -0.1660 0.00000
374 0.0384 0.00000
375 0.0118 0.00000
376 0.0338 0.00000
377 0.0869 0.00000
378 0.1199 0.00000
379 0.0410 0.00000
380 -0.0460 0.00000
381 -0.1052 0.00000
382 -0.0013 0.00000
383 -0.0963 0.00000
384 0.1873 0.00000
385 0.0077 0.00000
386 0.0283 0.00000
387 0.0214 0.00000
388 0.1338 0.00000
389 0.0611 0.00000
390 -0.0666 0.00000
391 0.0420 0.00000
392 0.1557 0.00000
393 0.0502 0.00000
394 0.1237 0.00000
395 -0.0080 0.00000
396 0.0689 0.00000
397 0.0040 0.00000
398 -0.0609 0.00000
399 -0.1051 0.00000
400 -0.0354 0.00000
401 0.0289 0.00000
402 -0.0169 0.00000
403 0.0465 0.00000
404 0.0639 0.00000
405 -0.0245 0.00000
406 -0.0379 0.00000
407 0.2458 0.00000
408 -0.1125 0.00000
409 0.0540 0.00000
410 0.1435 0.00000
411 0.0210 0.00000
412 -0.0575 0.00000
413 0.1406 0.00000
414 -0.0354 0.00000
415 -0.1159 0.00000
416 -0.0158 0.00000
417 0.0242 0.00000
418 0.0414 0.00000
419 0.0651 0.00000
420 0.2528 0.00000
421 -0.0232 0.00000
422 0.1929 0.00000
423 0.0610 0.00000
424 -0.1034 0.00000
425 -0.0162 0.00000
426 -0.0083 0.00000
427 0.0990 0.00000
428 0.0253 0.00000
429 0.0060 0.00000
430 -0.0154 0.00000
431 -0.0273 0.00000
432 -0.1152 0.00000
433 -0.0153 0.00000
434 0.0481 0.00000
435 -0.0358 0.00000
436 0.0201 0.00000
437 0.0361 0.00000
438 0.0129 0.00000
439 0.0174 0.00000
440 0.0660 0.00000
441 0.0327 0.00000
442 0.0306 0.00000
443 0.0725 0.00000
444 0.1160 0.00000
445 0.0484 0.00000
446 -0.0286 0.00000
447 -0.0335 0.00000
448 0.0842 0.00000
449 -0.0120 0.00000
450 0.1264 0.00000
451 0.0426 0.00000
452 0.1066 0.00000
453 0.0833 0.00000
454 -0.0731 0.00000
455 -0.0547 0.00000
456 0.0265 0.00000
457 0.1539 0.00000
458 0.1314 0.00000
459 -0.0226 0.00000
460 -0.0189 0.00000
461 -0.0402 0.00000
462 -0.1803 0.00000
463 0.0561 0.00000
464 -0.0350 0.00000
465 -0.0688 0.00000
466 0.1194 0.00000
467 -0.0809 0.00000
468 -0.0076 0.00000
469 0.0346 0.00000
470 -0.1610 0.00000
471 -0.0292 0.00000
472 -0.1280 0.00000
473 0.0374 0.00000
474 0.0074 0.00000
475 -0.0685 0.00000
476 0.0826 0.00000
477 0.0253 0.00000
478 0.0345 0.00000
479 -0.0117 0.00000
480 0.0379 0.00000
481 -0.1100 0.00000
482 -0.0122 0.00000
483 0.0664 0.00000
484 0.0343 0.00000
485 -0.0020 0.00000
486 -0.0194 0.00000
487 -0.1411 0.00000
488 -0.0532 0.00000
489 0.0010 0.00000
490 0.0223 0.00000
491 0.0046 0.00000
492 0.1644 0.00000
493 0.0018 0.00000
494 0.1925 0.00000
495 0.0266 0.00000
496 -0.0180 0.00000
497 -0.0314 0.00000
498 0.0020 0.00000
499 0.0061 0.00000
500 0.0147 0.00000
501 -0.0661 0.00000
502 0.0316 0.00000
503 -0.0427 0.00000
504 0.0626 0.00000
505 0.0226 0.00000
506 -0.0131 0.00000
507 -0.0635 0.00000
508 -0.0583 0.00000
509 0.0786 0.00000
510 -0.0907 0.00000
511 0.0009 0.00000
512 0.0632 0.00000
513 -0.0027 0.00000
514 0.0650 0.00000
515 -0.0323 0.00000
516 0.0900 0.00000
517 -0.0064 0.00000
518 -0.0192 0.00000
519 0.1303 0.00000
520 -0.3154 0.00000
521 0.0363 0.00000
522 -0.0670 0.00000
523 0.0244 0.00000
524 -0.1637 0.00000
525 -0.0170 0.00000
526 0.1037 0.00000
527 -0.1016 0.00000
528 0.1359 0.00000
529 0.0752 0.00000
530 -0.1769 0.00000
531 -0.0615 0.00000
532 0.0043 0.00000
533 0.1722 0.00000
534 -0.0316 0.00000
535 -0.1567 0.00000
536 -0.0508 0.00000
537 -0.4522 0.00000
538 0.1126 0.00000
539 0.1299 0.00000
540 -0.1542 0.00000
541 0.0190 0.00000
542 0.1439 0.00000
543 0.0853 0.00000
544 -0.0309 0.00000
545 -0.0731 0.00000
546 0.0383 0.00000
547 -0.0483 0.00000
548 0.0116 0.00000
549 -0.0444 0.00000
550 0.0921 0.00000
551 -0.0826 0.00000
552 -0.0089 0.00000
553 0.0151 0.00000
554 0.0303 0.00000
555 0.0326 0.00000
556 -0.0760 0.00000
557 0.0044 0.00000
558 0.0038 0.00000
559 0.0678 0.00000
560 -0.0737 0.00000
561 0.2405 0.00000
562 -0.0193 0.00000
563 -0.0810 0.00000
564 0.0303 0.00000
565 -0.0297 0.00000
566 0.0420 0.00000
567 -0.0231 0.00000
568 -0.0016 0.00000
569 -0.0559 0.00000
570 0.1121 0.00000
571 -0.0284 0.00000
572 0.0664 0.00000
573 -0.1075 0.00000
574 -0.0616 0.00000
575 0.1235 0.00000
576 0.1553 0.00000
577 0.1226 0.00000
578 0.1265 0.00000
579 -0.1919 0.00000
580 0.1761 0.00000
581 0.1725 0.00000
582 0.0697 0.00000
583 0.0301 0.00000
584 -0.4200 0.00000
585 0.0901 0.00000
586 0.0422 0.00000
587 -0.0338 0.00000
588 0.1470 0.00000
589 -0.0635 0.00000
590 0.4533 0.00000
591 0.0468 0.00000
592 0.1744 0.00000
593 0.0393 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0166 0.00000
597 0.0122 0.00000
598 -0.0360 0.00000
599 0.0601 0.00000
600 0.0461 0.00000
601 0.0581 0.00000
602 -0.1197 0.00000
603 -0.0356 0.00000
604 0.0144 0.00000
605 -0.1198 0.00000
606 -0.0490 0.00000
607 0.0187 0.00000
608 -0.0324 0.00000
609 -0.0424 0.00000
610 -0.0485 0.00000
611 -0.0604 0.00000
612 0.0283 0.00000
613 0.0155 0.00000
614 0.0187 0.00000
615 -0.0491 0.00000
616 -0.1079 0.00000
617 -0.1249 0.00000
618 -0.0374 0.00000
619 0.0506 0.00000
620 0.0121 0.00000
621 -0.0538 0.00000
622 -0.0460 0.00000
623 0.0057 0.00000
624 0.0171 0.00000
625 0.0236 0.00000
626 -0.0632 0.00000
627 0.0533 0.00000
628 -0.0728 0.00000
629 -0.0947 0.00000
630 -0.1038 0.00000
631 -0.0037 0.00000
632 0.0169 0.00000
633 -0.0569 0.00000
634 0.0258 0.00000
635 0.0069 0.00000
636 -0.0956 0.00000
637 -0.0084 0.00000
638 -0.0030 0.00000
639 -0.0175 0.00000
640 -0.0108 0.00000
641 0.0349 0.00000
642 -0.0010 0.00000
643 -0.0067 0.00000
644 0.0287 0.00000
645 -0.0286 0.00000
646 -0.0265 0.00000
647 0.0487 0.00000
648 -0.0976 0.00000
649 -0.0126 0.00000
650 0.0125 0.00000
651 -0.0362 0.00000
652 -0.0605 0.00000
653 0.0553 0.00000
654 -0.0266 0.00000
655 -0.0553 0.00000
656 0.0122 0.00000
657 -0.0564 0.00000
658 -0.0150 0.00000
659 0.0813 0.00000
660 0.0088 0.00000
661 -0.0096 0.00000
662 -0.0048 0.00000
663 -0.0162 0.00000
664 -0.0563 0.00000
665 -0.0480 0.00000
666 0.0536 0.00000
667 -0.0694 0.00000
668 0.0193 0.00000
669 -0.0256 0.00000
670 -0.0880 0.00000
671 -0.0459 0.00000
672 -0.1141 0.00000
673 0.0390 0.00000
674 0.0349 0.00000
675 -0.1236 0.00000
676 -0.1626 0.00000
677 0.0558 0.00000
678 -0.0289 0.00000
679 0.0162 0.00000
680 0.0137 0.00000
681 0.0302 0.00000
682 -0.0144 0.00000
683 0.0148 0.00000
684 -0.0199 0.00000
685 0.0169 0.00000
686 -0.0030 0.00000
687 -0.0392 0.00000
688 -0.0306 0.00000
689 0.0083 0.00000
690 0.0499 0.00000
691 -0.0670 0.00000
692 -0.0016 0.00000
693 0.0081 0.00000
694 -0.0502 0.00000
695 -0.0279 0.00000
696 -0.0437 0.00000
697 0.0038 0.00000
698 -0.0353 0.00000
699 0.0265 0.00000
700 0.0195 0.00000
701 -0.0768 0.00000
702 0.0707 0.00000
703 -0.0313 0.00000
704 -0.0594 0.00000
705 0.0077 0.00000
706 0.0303 0.00000
707 0.0308 0.00000
708 -0.0046 0.00000
709 0.0360 0.00000
710 -0.0570 0.00000
711 -0.0186 0.00000
712 0.0205 0.00000
713 -0.0397 0.00000
714 0.0288 0.00000
715 -0.0106 0.00000
716 -0.0424 0.00000
717 -0.0223 0.00000
718 0.0627 0.00000
719 0.0286 0.00000
720 0.0174 0.00000
721 -0.0459 0.00000
722 0.0351 0.00000
723 -0.0964 0.00000
724 -0.0422 0.00000
725 0.0455 0.00000
726 0.0127 0.00000
727 0.0131 0.00000
728 -0.0340 0.00000
729 -0.0227 0.00000
730 -0.1153 0.00000
731 -0.0905 0.00000
732 -0.0569 0.00000
733 -0.0118 0.00000
734 -0.0020 0.00000
735 -0.0233 0.00000
736 -0.0255 0.00000
737 -0.0180 0.00000
738 -0.0562 0.00000
739 0.0187 0.00000
740 -0.0321 0.00000
741 -0.0789 0.00000
742 0.0137 0.00000
743 0.0211 0.00000
744 -0.0605 0.00000
745 -0.0736 0.00000
746 0.0120 0.00000
747 -0.0651 0.00000
748 0.0570 0.00000
749 -0.0512 0.00000
750 -0.0020 0.00000
751 0.0681 0.00000
752 0.0091 0.00000
753 0.0073 0.00000
754 0.0891 0.00000
755 -0.0526 0.00000
756 -0.0528 0.00000
757 -0.0178 0.00000
758 0.0586 0.00000
759 -0.0794 0.00000
760 -0.0164 0.00000
761 0.0485 0.00000
762 -0.0183 0.00000
763 -0.0461 0.00000
764 -0.0577 0.00000
765 0.0548 0.00000
766 0.0655 0.00000
767 -0.0351 0.00000
768 0.0501 0.00000
769 -0.0306 0.00000
770 -0.0509 0.00000
771 -0.0527 0.00000
772 0.0247 0.00000
773 -0.0284 0.00000
774 0.0345 0.00000
775 -0.0200 0.00000
776 -0.0251 0.00000
777 -0.0304 0.00000
778 -0.0030 0.00000
779 -0.0131 0.00000
780 0.0328 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0176 0.00000
2 -0.0073 0.00000
3 -0.0690 0.00000
4 -0.1448 0.00000
5 -0.1737 0.00000
6 -0.0678 0.00000
7 -0.0364 0.00000
8 -0.0110 0.00000
9 -0.1591 0.00000
10 0.0039 0.00000
11 0.0231 0.00000
12 0.0359 0.00000
13 0.0279 0.00000
14 -0.0533 0.00000
15 -0.0793 0.00000
16 0.1887 0.00000
17 -0.0046 0.00000
18 0.0190 0.00000
19 0.0615 0.00000
20 -0.0674 0.00000
21 -0.1369 0.00000
22 0.0617 0.00000
23 -0.0126 0.00000
24 0.1762 0.00000
25 0.0473 0.00000
26 0.6242 0.00000
27 0.3695 0.00000
28 -0.0033 0.00000
29 0.1162 0.00000
30 0.7297 0.00000
31 0.1650 0.00000
32 -0.0000 0.00000
33 -0.1053 0.00000
34 -0.2116 0.00000
35 -0.0285 0.00000
36 0.0395 0.00000
37 0.0322 0.00000
38 -0.0148 0.00000
39 0.0711 0.00000
40 -0.1355 0.00000
41 -0.1095 0.00000
42 0.0451 0.00000
43 -0.3187 0.00000
44 -0.0136 0.00000
45 -0.1395 0.00000
46 0.2813 0.00000
47 0.0833 0.00000
48 0.0526 0.00000
49 0.1111 0.00000
50 0.0923 0.00000
51 -0.0336 0.00000
52 0.2325 0.00000
53 0.0185 0.00000
54 0.0461 0.00000
55 -0.0869 0.00000
56 0.4410 0.00000
57 -0.2214 0.00000
58 -0.1135 0.00000
59 -0.0297 0.00000
60 0.6743 0.00000
61 -0.0992 0.00000
62 0.3370 0.00000
63 0.0864 0.00000
64 0.5808 0.00000
65 -0.1815 0.00000
66 -0.1549 0.00000
67 0.0002 0.00000
68 0.6245 0.00000
69 -0.0210 0.00000
70 -0.3877 0.00000
71 -0.0124 0.00000
72 0.0008 0.00000
73 0.0304 0.00000
74 -0.0244 0.00000
75 -0.0433 0.00000
76 0.1768 0.00000
77 0.0863 0.00000
78 -0.1081 0.00000
79 0.3457 0.00000
80 0.1461 0.00000
81 -0.5218 0.00000
82 0.0657 0.00000
83 0.0314 0.00000
84 0.1054 0.00000
85 0.0528 0.00000
86 0.0624 0.00000
87 0.0529 0.00000
88 0.0086 0.00000
89 0.0396 0.00000
90 -0.1485 0.00000
91 -0.0304 0.00000
92 -0.0293 0.00000
93 0.0267 0.00000
94 0.3395 0.00000
95 0.2214 0.00000
96 0.2271 0.00000
97 -0.0346 0.00000
98 -0.2299 0.00000
99 -0.0966 0.00000
100 0.0759 0.00000
101 -0.1320 0.00000
102 -0.2564 0.00000
103 -0.1555 0.00000
104 0.0469 0.00000
105 -0.1221 0.00000
106 -0.1050 0.00000
107 -0.3645 0.00000
108 -0.0077 0.00000
109 -0.8565 0.00000
110 0.0653 0.00000
111 -0.1646 0.00000
112 0.0235 0.00000
113 0.0445 0.00000
114 -0.1076 0.00000
115 -0.2930 0.00000
116 0.1057 0.00000
117 -0.1633 0.00000
118 0.1415 0.00000
119 -0.0716 0.00000
120 0.1315 0.00000
121 -0.2309 0.00000
122 -0.2094 0.00000
123 -0.1486 0.00000
124 0.5718 0.00000
125 -0.0515 0.00000
126 -0.2507 0.00000
127 0.0982 0.00000
128 -0.0618 0.00000
129 0.4234 0.00000
130 -0.1026 0.00000
131 -0.0331 0.00000
132 0.1185 0.00000
133 -0.1703 0.00000
134 -0.1547 0.00000
135 0.0067 0.00000
136 -0.1935 0.00000
137 0.2801 0.00000
138 -0.5246 0.00000
139 -0.1296 0.00000
140 -0.0201 0.00000
141 -0.1145 0.00000
142 0.2668 0.00000
143 -0.0258 0.00000
144 0.0581 0.00000
145 0.1321 0.00000
146 0.3004 0.00000
147 0.1256 0.00000
148 -0.0243 0.00000
149 -0.0923 0.00000
150 -0.0595 0.00000
151 0.0667 0.00000
152 0.0815 0.00000
153 0.0340 0.00000
154 -0.0448 0.00000
155 0.0893 0.00000
156 -0.0624 0.00000
157 0.0074 0.00000
158 0.0152 0.00000
159 0.2442 0.00000
160 0.0357 0.00000
161 0.1291 0.00000
162 0.1649 0.00000
163 -0.2418 0.00000
164 -0.0231 0.00000
165 -0.0440 0.00000
166 0.0901 0.00000
167 0.3673 0.00000
168 -0.0272 0.00000
169 0.0515 0.00000
170 0.0300 0.00000
171 0.1115 0.00000
172 -0.0648 0.00000
173 -0.0022 0.00000
174 -0.0884 0.00000
175 -0.0244 0.00000
176 -0.0150 0.00000
177 -0.1303 0.00000
178 0.1293 0.00000
179 -0.0631 0.00000
180 0.0851 0.00000
181 -0.0389 0.00000
182 -0.0217 0.00000
183 0.2929 0.00000
184 0.0745 0.00000
185 0.1583 0.00000
186 -0.0205 0.00000
187 -0.0074 0.00000
188 -0.0588 0.00000
189 -0.0635 0.00000
190 -0.0131 0.00000
191 0.0598 0.00000
192 -0.0281 0.00000
193 0.2918 0.00000
194 0.2215 0.00000
195 0.4964 0.00000
196 -0.1961 0.00000
197 -0.0717 0.00000
198 -0.1452 0.00000
199 -0.2700 0.00000
200 0.0170 0.00000
201 0.2031 0.00000
202 0.1643 0.00000
203 0.0240 0.00000
204 0.1896 0.00000
205 0.1773 0.00000
206 -0.1682 0.00000
207 0.1027 0.00000
208 0.0585 0.00000
209 -0.0109 0.00000
210 0.0131 0.00000
211 0.2329 0.00000
212 0.0477 0.00000
213 0.0333 0.00000
214 0.0577 0.00000
215 0.1389 0.00000
216 -0.3566 0.00000
217 0.0142 0.00000
218 -0.3131 0.00000
219 -0.1525 0.00000
220 -0.0135 0.00000
221 -0.0745 0.00000
222 0.0299 0.00000
223 -0.0144 0.00000
224 0.2169 0.00000
225 0.5056 0.00000
226 -0.0406 0.00000
227 0.0032 0.00000
228 0.0215 0.00000
229 -0.1290 0.00000
230 0.0228 0.00000
231 0.0092 0.00000
232 0.0001 0.00000
233 -0.0208 0.00000
234 -0.1670 0.00000
235 0.2007 0.00000
236 0.0419 0.00000
237 -0.0609 0.00000
238 0.2576 0.00000
239 0.0668 0.00000
240 0.0512 0.00000
241 0.0776 0.00000
242 -0.0368 0.00000
243 -0.0867 0.00000
244 0.0417 0.00000
245 -0.0296 0.00000
246 -0.0043 0.00000
247 -0.0805 0.00000
248 -0.2257 0.00000
249 -0.0438 0.00000
250 -0.0415 0.00000
251 -0.0779 0.00000
252 0.2578 0.00000
253 -0.1538 0.00000
254 -0.0027 0.00000
255 0.0115 0.00000
256 -0.2922 0.00000
257 -0.0472 0.00000
258 -0.0570 0.00000
259 0.0418 0.00000
260 -0.1329 0.00000
261 0.0559 0.00000
262 0.0157 0.00000
263 -0.0634 0.00000
264 -0.0067 0.00000
265 -0.0293 0.00000
266 -0.0127 0.00000
267 -0.0177 0.00000
268 0.0061 0.00000
269 0.1098 0.00000
270 -0.0241 0.00000
271 -0.0626 0.00000
272 -0.2375 0.00000
273 0.0295 0.00000
274 -0.2638 0.00000
275 -0.2495 0.00000
276 -0.1116 0.00000
277 0.0043 0.00000
278 -0.0883 0.00000
279 0.0359 0.00000
280 -0.1162 0.00000
281 -0.1041 0.00000
282 0.0489 0.00000
283 0.0048 0.00000
284 -0.0660 0.00000
285 0.0619 0.00000
286 -0.0448 0.00000
287 -0.0126 0.00000
288 -0.0019 0.00000
289 -0.0352 0.00000
290 -0.0697 0.00000
291 -0.0141 0.00000
292 0.0266 0.00000
293 -0.1931 0.00000
294 0.0189 0.00000
295 0.0360 0.00000
296 -0.0511 0.00000
297 -0.0426 0.00000
298 0.1635 0.00000
299 0.0625 0.00000
300 0.0170 0.00000
301 -0.0056 0.00000
302 -0.0682 0.00000
303 -0.0539 0.00000
304 -0.0880 0.00000
305 -0.0186 0.00000
306 0.1829 0.00000
307 0.0762 0.00000
308 -0.0451 0.00000
309 -0.0421 0.00000
310 0.0176 0.00000
311 0.0729 0.00000
312 0.1437 0.00000
313 0.0529 0.00000
314 0.0496 0.00000
315 -0.0155 0.00000
316 -0.0216 0.00000
317 0.0818 0.00000
318 -0.0631 0.00000
319 0.0137 0.00000
320 0.0496 0.00000
321 -0.0664 0.00000
322 0.0501 0.00000
323 -0.0187 0.00000
324 -0.0770 0.00000
325 0.1079 0.00000
326 -0.0366 0.00000
327 -0.0036 0.00000
328 -0.0644 0.00000
329 -0.0599 0.00000
330 0.0483 0.00000
331 -0.0378 0.00000
332 -0.0342 0.00000
333 0.0446 0.00000
334 -0.0115 0.00000
335 -0.0456 0.00000
336 0.0275 0.00000
337 0.0244 0.00000
338 -0.0467 0.00000
339 0.0037 0.00000
340 0.0369 0.00000
341 -0.0807 0.00000
342 0.0561 0.00000
343 0.0592 0.00000
344 -0.0158 0.00000
345 -0.0001 0.00000
346 -0.0041 0.00000
347 0.0394 0.00000
348 0.0240 0.00000
349 0.1139 0.00000
350 0.0128 0.00000
351 -0.0732 0.00000
352 0.0091 0.00000
353 -0.0076 0.00000
354 0.0440 0.00000
355 0.0651 0.00000
356 -0.0887 0.00000
357 -0.0364 0.00000
358 -0.0770 0.00000
359 -0.0621 0.00000
360 -0.0790 0.00000
361 -0.0525 0.00000
362 -0.0388 0.00000
363 0.0637 0.00000
364 -0.0371 0.00000
365 0.0152 0.00000
366 -0.0472 0.00000
367 0.1290 0.00000
368 -0.0556 0.00000
369 -0.0161 0.00000
370 0.0913 0.00000
371 -0.0978 0.00000
372 -0.2509 0.00000
373 0.0761 0.00000
374 -0.0002 0.00000
375 0.0343 0.00000
376 -0.0341 0.00000
377 0.0796 0.00000
378 0.0217 0.00000
379 -0.0038 0.00000
380 -0.0436 0.00000
381 0.0582 0.00000
382 0.0669 0.00000
383 0.2137 0.00000
384 -0.0995 0.00000
385 0.0928 0.00000
386 0.1062 0.00000
387 -0.0423 0.00000
388 0.0920 0.00000
389 0.0227 0.00000
390 0.0317 0.00000
391 -0.0053 0.00000
392 0.0185 0.00000
393 0.0449 0.00000
394 0.0964 0.00000
395 0.0493 0.00000
396 -0.0453 0.00000
397 -0.0454 0.00000
398 -0.0561 0.00000
399 -0.0165 0.00000
400 0.0436 0.00000
401 -0.0341 0.00000
402 -0.0428 0.00000
403 -0.0178 0.00000
404 -0.0117 0.00000
405 0.1235 0.00000
406 0.0273 0.00000
407 -0.0535 0.00000
408 0.2289 0.00000
409 0.0198 0.00000
410 0.1040 0.00000
411 0.1227 0.00000
412 0.0966 0.00000
413 -0.0252 0.00000
414 0.0370 0.00000
415 -0.0646 0.00000
416 0.0077 0.00000
417 0.0236 0.00000
418 0.0339 0.00000
419 -0.0152 0.00000
420 0.0051 0.00000
421 0.0150 0.00000
422 0.2137 0.00000
423 0.0252 0.00000
424 -0.0181 0.00000
425 0.0039 0.00000
426 0.1143 0.00000
427 -0.1598 0.00000
428 0.0593 0.00000
429 0.0219 0.00000
430 -0.0096 0.00000
431 -0.0221 0.00000
432 0.1456 0.00000
433 0.0348 0.00000
434 -0.0140 0.00000
435 0.0501 0.00000
436 0.0423 0.00000
437 0.0063 0.00000
438 0.0361 0.00000
439 -0.0032 0.00000
440 0.0240 0.00000
441 -0.0129 0.00000
442 -0.0208 0.00000
443 -0.0122 0.00000
444 -0.0457 0.00000
445 -0.0078 0.00000
446 0.0806 0.00000
447 -0.0267 0.00000
448 0.0466 0.00000
449 0.0158 0.00000
450 0.0428 0.00000
451 0.0329 0.00000
452 0.1990 0.00000
453 0.0477 0.00000
454 0.0867 0.00000
455 0.0404 0.00000
456 0.0865 0.00000
457 -0.0319 0.00000
458 -0.0640 0.00000
459 -0.0713 0.00000
460 0.1318 0.00000
461 -0.0268 0.00000
462 0.0107 0.00000
463 0.0619 0.00000
464 0.0029 0.00000
465 -0.0321 0.00000
466 0.0036 0.00000
467 -0.0583 0.00000
468 -0.0355 0.00000
469 0.0033 0.00000
470 -0.0056 0.00000
471 -0.0587 0.00000
472 -0.0952 0.00000
473 -0.0087 0.00000
474 0.0696 0.00000
475 -0.0997 0.00000
476 -0.0294 0.00000
477 -0.1063 0.00000
478 -0.0162 0.00000
479 0.0457 0.00000
480 0.0062 0.00000
481 -0.0029 0.00000
482 -0.0983 0.00000
483 -0.0278 0.00000
484 0.0893 0.00000
485 -0.0558 0.00000
486 -0.0834 0.00000
487 0.0100 0.00000
488 0.0648 0.00000
489 0.0109 0.00000
490 -0.0195 0.00000
491 0.0235 0.00000
492 -0.0607 0.00000
493 0.0341 0.00000
494 0.0745 0.00000
495 -0.0297 0.00000
496 0.2274 0.00000
497 0.0085 0.00000
498 -0.0136 0.00000
499 0.0304 0.00000
500 -0.0663 0.00000
501 0.0323 0.00000
502 0.0730 0.00000
503 0.0036 0.00000
504 0.0549 0.00000
505 0.0150 0.00000
506 0.0554 0.00000
507 -0.0652 0.00000
508 -0.0492 0.00000
509 -0.0335 0.00000
510 -0.0312 0.00000
511 0.0233 0.00000
512 0.0232 0.00000
513 0.1216 0.00000
514 0.0947 0.00000
515 -0.0833 0.00000
516 0.0644 0.00000
517 0.0584 0.00000
518 -0.0384 0.00000
519 -0.1780 0.00000
520 -0.0312 0.00000
521 0.0164 0.00000
522 -0.0932 0.00000
523 0.0011 0.00000
524 0.0155 0.00000
525 -0.1161 0.00000
526 -0.0094 0.00000
527 -0.2922 0.00000
528 0.0474 0.00000
529 0.1386 0.00000
530 0.1305 0.00000
531 -0.0217 0.00000
532 0.0461 0.00000
533 -0.0107 0.00000
534 -0.0239 0.00000
535 -0.0569 0.00000
536 -0.0917 0.00000
537 -0.1672 0.00000
538 -0.2317 0.00000
539 0.0759 0.00000
540 -0.3099 0.00000
541 0.0726 0.00000
542 -0.0526 0.00000
543 0.0439 0.00000
544 -0.0169 0.00000
545 0.1509 0.00000
546 -0.1637 0.00000
547 -0.0200 0.00000
548 0.1018 0.00000
549 0.0258 0.00000
550 -0.0293 0.00000
551 0.1073 0.00000
552 -0.0256 0.00000
553 -0.0358 0.00000
554 0.0150 0.00000
555 -0.0029 0.00000
556 0.1396 0.00000
557 0.0752 0.00000
558 -0.0659 0.00000
559 0.1281 0.00000
560 0.1145 0.00000
561 0.0099 0.00000
562 0.0845 0.00000
563 -0.0537 0.00000
564 0.0107 0.00000
565 -0.1142 0.00000
566 -0.0036 0.00000
567 0.0272 0.00000
568 -0.0879 0.00000
569 0.0647 0.00000
570 0.0091 0.00000
571 0.0359 0.00000
572 -0.0463 0.00000
573 0.0884 0.00000
574 -0.1234 0.00000
575 0.0695 0.00000
576 0.0653 0.00000
577 0.1145 0.00000
578 0.2205 0.00000
579 0.0173 0.00000
580 0.0398 0.00000
581 0.1177 0.00000
582 0.0949 0.00000
583 -0.0864 0.00000
584 -0.4822 0.00000
585 0.0663 0.00000
586 0.1624 0.00000
587 -0.0335 0.00000
588 0.1371 0.00000
589 -0.0636 0.00000
590 0.4480 0.00000
591 0.0481 0.00000
592 0.1829 0.00000
593 0.0411 0.00000
594 0.0523 0.00000
595 0.0535 0.00000
596 0.0166 0.00000
597 0.0122 0.00000
598 -0.0335 0.00000
599 0.0563 0.00000
600 0.0414 0.00000
601 -0.0318 0.00000
602 -0.0668 0.00000
603 0.0353 0.00000
604 0.0273 0.00000
605 -0.0392 0.00000
606 -0.1139 0.00000
607 -0.0289 0.00000
608 -0.0955 0.00000
609 -0.0360 0.00000
610 -0.0472 0.00000
611 -0.0004 0.00000
612 -0.0191 0.00000
613 0.0400 0.00000
614 -0.0246 0.00000
615 -0.0932 0.00000
616 0.0310 0.00000
617 -0.1144 0.00000
618 0.0159 0.00000
619 -0.0527 0.00000
620 0.0287 0.00000
621 -0.0524 0.00000
622 -0.0130 0.00000
623 -0.0009 0.00000
624 -0.1365 0.00000
625 0.0226 0.00000
626 -0.0516 0.00000
627 0.0185 0.00000
628 -0.0626 0.00000
629 0.0001 0.00000
630 -0.0122 0.00000
631 -0.0308 0.00000
632 -0.0980 0.00000
633 -0.0147 0.00000
634 0.0359 0.00000
635 0.0013 0.00000
636 0.0070 0.00000
637 -0.0630 0.00000
638 0.0517 0.00000
639 -0.0374 0.00000
640 0.0293 0.00000
641 -0.0284 0.00000
642 -0.1348 0.00000
643 0.0003 0.00000
644 0.0612 0.00000
645 0.0003 0.00000
646 -0.0760 0.00000
647 0.0211 0.00000
648 -0.0092 0.00000
649 -0.0463 0.00000
650 0.0505 0.00000
651 0.0457 0.00000
652 -0.0446 0.00000
653 0.0078 0.00000
654 -0.0042 0.00000
655 -0.0115 0.00000
656 0.0232 0.00000
657 -0.0686 0.00000
658 -0.0389 0.00000
659 -0.0261 0.00000
660 -0.1078 0.00000
661 0.0856 0.00000
662 -0.0105 0.00000
663 0.0105 0.00000
664 -0.0056 0.00000
665 0.0678 0.00000
666 0.0164 0.00000
667 0.0031 0.00000
668 -0.0203 0.00000
669 -0.0784 0.00000
670 0.0385 0.00000
671 -0.1205 0.00000
672 -0.0328 0.00000
673 -0.0716 0.00000
674 -0.0016 0.00000
675 -0.0406 0.00000
676 -0.0513 0.00000
677 -0.0313 0.00000
678 -0.1510 0.00000
679 0.0173 0.00000
680 -0.0531 0.00000
681 -0.0150 0.00000
682 -0.0713 0.00000
683 -0.0049 0.00000
684 -0.0204 0.00000
685 0.0906 0.00000
686 0.0136 0.00000
687 -0.0240 0.00000
688 0.0406 0.00000
689 0.0059 0.00000
690 -0.0109 0.00000
691 -0.0644 0.00000
692 0.0125 0.00000
693 -0.0359 0.00000
694 0.0289 0.00000
695 -0.0129 0.00000
696 -0.0530 0.00000
697 -0.0340 0.00000
698 -0.0121 0.00000
699 -0.0603 0.00000
700 -0.0223 0.00000
701 0.0345 0.00000
702 -0.0038 0.00000
703 -0.0047 0.00000
704 -0.0143 0.00000
705 -0.0309 0.00000
706 0.0444 0.00000
707 -0.0479 0.00000
708 0.0442 0.00000
709 0.0071 0.00000
710 -0.0273 0.00000
711 -0.0145 0.00000
712 -0.0066 0.00000
713 -0.0165 0.00000
714 0.0525 0.00000
715 0.0287 0.00000
716 0.0216 0.00000
717 0.0088 0.00000
718 -0.0582 0.00000
719 -0.0119 0.00000
720 0.0076 0.00000
721 0.0089 0.00000
722 -0.0061 0.00000
723 0.0374 0.00000
724 -0.0097 0.00000
725 -0.1081 0.00000
726 -0.0919 0.00000
727 -0.0621 0.00000
728 0.0494 0.00000
729 -0.0950 0.00000
730 -0.0803 0.00000
731 0.0466 0.00000
732 -0.0298 0.00000
733 0.0826 0.00000
734 0.0144 0.00000
735 -0.0214 0.00000
736 -0.0807 0.00000
737 0.0036 0.00000
738 -0.0727 0.00000
739 -0.0333 0.00000
740 -0.0370 0.00000
741 -0.0234 0.00000
742 -0.1189 0.00000
743 0.0225 0.00000
744 0.0497 0.00000
745 -0.0289 0.00000
746 -0.0134 0.00000
747 -0.0374 0.00000
748 -0.0515 0.00000
749 -0.0194 0.00000
750 0.0447 0.00000
751 -0.0331 0.00000
752 0.0043 0.00000
753 0.0396 0.00000
754 0.0305 0.00000
755 -0.0989 0.00000
756 0.0049 0.00000
757 -0.0041 0.00000
758 -0.0062 0.00000
759 0.0094 0.00000
760 -0.0431 0.00000
761 0.0713 0.00000
762 0.0628 0.00000
763 0.0505 0.00000
764 -0.0317 0.00000
765 -0.0864 0.00000
766 0.0203 0.00000
767 -0.0596 0.00000
768 0.0129 0.00000
769 0.0225 0.00000
770 0.0422 0.00000
771 -0.0474 0.00000
772 0.0787 0.00000
773 0.0151 0.00000
774 0.0220 0.00000
775 -0.0650 0.00000
776 -0.0324 0.00000
777 -0.0261 0.00000
778 -0.0032 0.00000
779 0.0034 0.00000
780 -0.0393 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 3 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
12.30645 2.81122 1.69131
2.81134-22.15538 0.12377
1.69147 0.12380 -4.78316
POSITION FORCE-CONSTANT FOR ION 3 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.218389 2.563750 1.959177
4.30302 2.15352 7.05746 0.113524 -0.134018 0.567565
1.30883 4.06731 2.03161 -3.732426 1.103713 -33.397783
3.96992 4.32885 4.13194 2.726635 0.338287 2.343667
1.29275 3.05683 8.10201 -0.083723 -0.038652 0.390366
3.79636 1.47547 14.70421 -0.315887 0.201300 0.488028
1.24643 4.63551 10.86193 0.040805 0.021075 0.467067
3.89005 4.20092 12.88287 -0.059647 -0.092150 0.367486
1.04482 6.69020 17.44020 0.301563 -2.847716 2.459905
3.77370 7.04599 6.61024 0.174006 0.561701 0.397248
0.71312 9.21049 2.53845 -0.009956 -0.135860 -0.689402
3.86880 9.70388 4.59023 -0.098753 0.323176 -0.259856
1.19399 7.29663 8.75952 -0.084098 0.083015 0.382470
4.14925 6.52609 15.71477 -0.515641 0.072826 0.136037
1.16791 10.19708 10.50563 -0.047091 0.115598 0.194368
3.90202 11.30466 11.97145 -0.022236 0.025048 0.115779
1.41963 13.48240 16.88000 -0.016327 0.051282 0.097120
3.89470 12.50036 6.39588 -0.020798 0.053817 -0.020162
1.24092 15.65995 2.03746 0.287213 0.348587 -0.381673
3.45676 13.88732 3.60018 -0.123116 0.065327 -0.135018
1.37686 12.90671 8.69683 0.011650 -0.001879 0.051464
4.20896 12.98001 14.89140 -0.074932 0.033587 0.054856
1.28271 15.54574 11.35729 -0.000430 -0.019760 0.150846
4.02704 16.14416 13.12883 -0.054827 0.163734 0.222709
8.51844 2.13686 0.32759 0.031046 -0.061401 -0.100694
10.42520 1.68659 6.72748 -0.003310 -0.073317 0.039087
6.89192 4.41938 2.41726 0.642164 0.091796 -0.665988
10.22536 4.35381 4.16682 0.047598 0.033533 0.030991
7.19238 2.15284 8.75827 0.183661 -0.035277 0.219369
10.67141 2.29852 15.08728 0.034817 -0.006424 -0.002883
7.24075 4.59797 11.01224 -0.061468 -0.007965 0.248796
10.30176 4.56419 12.61212 0.007009 0.031215 0.045877
6.40057 6.85176 0.36515 -0.283168 0.086440 -0.409433
9.75325 6.62606 6.90745 0.023837 0.023052 0.057281
6.24007 9.67823 1.67645 -0.041699 -0.004204 -0.119825
6.65558 7.06042 8.79421 0.127294 0.093767 0.210549
11.80692 6.94639 14.05727 0.057980 0.012408 0.037713
6.39955 9.97659 10.34026 -0.027458 0.083993 0.120506
11.03265 10.16848 13.84914 0.014403 -0.010332 0.018508
6.77345 12.10505 16.99256 -0.057401 0.008826 -0.048036
10.32223 13.09442 6.99099 0.005059 -0.009525 0.030635
10.59365 15.96480 4.77521 0.015562 -0.051881 -0.029515
6.94250 12.79247 7.88185 -0.008403 -0.007426 0.014416
10.18654 12.31147 16.08279 -0.008303 -0.006530 0.004386
7.13888 17.01345 11.20310 -0.055746 -0.020393 0.104018
10.37682 0.23169 12.64835 0.007437 -0.000380 0.021624
13.24904 1.54346 17.14370 0.242138 -0.037704 -0.278738
15.89410 1.64185 6.44545 -0.120898 -0.438840 0.311703
12.98857 4.28042 2.14546 -0.174866 -0.009287 -0.444150
15.96785 4.32998 4.48967 -1.123508 0.304449 1.516297
13.27097 1.52537 8.57426 -0.112568 -0.021255 0.251418
16.03461 1.53130 15.21659 0.482302 -0.054834 0.265778
13.37701 3.97590 10.80799 0.036789 -0.005750 0.185106
16.23421 4.17555 13.11475 0.032003 0.017296 0.364425
13.12188 6.75851 16.83328 0.127066 0.123258 -0.135501
16.15350 6.82329 6.57280 -0.140154 0.541521 0.325255
13.80451 11.28726 3.11364 0.020029 0.031359 -0.076158
16.01530 9.31599 4.57229 0.097926 0.182010 -0.245929
16.24774 6.95131 14.97400 0.555378 -0.140999 0.495196
13.37358 11.10317 11.33384 0.068662 -0.012181 0.089782
16.26481 10.28310 12.82929 0.030164 -0.115889 0.157282
13.02958 12.87265 0.34345 0.038034 -0.033136 -0.071790
15.63587 13.81058 6.90598 -0.006682 -0.027696 0.046061
13.11026 15.86276 1.91698 0.011051 -0.039413 -0.083436
16.04847 15.98249 4.25314 0.155224 -0.289268 -0.216891
12.92950 13.50280 9.01948 0.009422 -0.014767 0.064685
16.03470 13.24150 15.21399 0.094376 0.009129 0.018581
13.00717 16.52927 10.76204 0.024906 -0.075381 0.118089
15.92967 15.85673 13.13419 0.007800 0.099422 0.138144
1.86054 17.36365 1.29865 -0.017523 -0.661038 0.066102
4.17830 2.73136 5.21241 -0.235946 0.170376 -0.452699
3.26426 5.75851 5.24301 -0.177856 -0.360714 -0.578708
17.49829 1.67854 7.58538 0.024138 0.061844 -0.076699
1.16532 17.05709 10.27678 -0.006506 0.035687 -0.031406
3.43296 5.28736 14.40974 0.056531 -0.047340 -0.137676
5.78979 4.58179 12.35127 0.083765 0.014972 -0.094467
2.66622 1.96025 16.18884 0.274953 -0.203991 -0.479038
17.32027 0.89679 16.51550 -0.092165 -0.220688 -0.309913
0.46199 8.18893 0.93413 0.044756 0.606147 -0.067116
5.39231 10.11127 3.40660 0.020534 -0.034242 0.049266
2.32066 9.80687 3.44943 0.042377 0.004927 0.150039
4.91964 7.92130 14.71679 0.107232 -0.012782 -0.031040
2.68710 7.23238 16.69438 0.123946 0.250677 -0.327745
0.01020 10.88204 2.02154 -0.011045 0.065192 0.144740
4.21835 0.28129 6.98759 -0.004595 0.069193 -0.105550
17.23783 13.81793 8.03064 -0.013877 0.005344 -0.008389
4.79582 14.66186 14.12172 0.019511 -0.019666 -0.024045
1.82404 14.00413 10.26937 -0.000598 -0.000608 -0.031028
5.26768 16.92854 11.79676 0.045899 0.003930 -0.059433
10.96027 2.96124 5.34122 -0.001005 0.013102 -0.029872
6.97457 3.04582 1.08259 -0.083788 0.058991 0.129074
10.16898 6.05361 5.08582 -0.011640 -0.023973 -0.020557
8.34039 4.05066 3.68939 -0.152158 -0.000497 0.035268
8.74489 2.42632 7.55292 -0.012676 0.020750 -0.018389
7.18775 0.35634 9.46384 -0.003767 0.039603 -0.062232
11.47395 4.04892 11.19556 0.004179 0.000241 -0.030180
9.15080 2.77757 16.12393 -0.019136 0.015310 0.028507
7.98734 0.36277 0.04247 -0.012388 0.022832 0.018537
8.09306 7.37877 7.53063 -0.032068 -0.022330 -0.021801
5.20414 6.37683 7.73407 -0.149658 -0.082673 -0.158550
12.25313 11.32613 12.87115 -0.009743 0.002758 -0.006206
7.88582 9.71337 11.41294 -0.001606 -0.013051 -0.015870
7.90588 7.26091 16.85699 0.038196 -0.007581 0.056440
11.07224 14.64349 6.08452 -0.001324 0.016482 -0.000632
9.97410 0.03402 5.82220 -0.004834 0.034303 0.017871
11.77786 16.49122 3.26041 -0.016173 0.007927 0.031939
6.65717 11.67689 9.40508 0.005309 0.002903 -0.015865
7.76961 15.24886 11.07941 0.010896 0.005391 -0.021681
8.52712 0.41686 12.29829 0.004831 0.002298 -0.016316
13.11181 17.12784 0.26607 -0.030369 0.004278 0.046625
13.20693 2.50512 1.34897 -0.005982 0.053604 0.146785
17.29335 3.71694 3.19979 -2.537025 -0.854550 4.723155
14.20035 4.69758 3.69278 0.346316 -0.048324 -0.017286
14.59997 3.56179 12.23787 -0.053244 -0.008430 -0.081152
13.57708 5.48481 0.72232 -0.017153 -0.078534 0.178181
12.29749 8.18631 0.22048 -0.030614 -0.025337 0.035524
16.86596 10.59176 5.62457 -0.022399 -0.016746 0.035002
16.66958 8.43890 13.63905 -0.071331 0.076442 -0.080177
16.67265 11.67449 14.15979 -0.013477 0.012813 -0.008846
14.70756 7.45696 15.98014 -0.132030 0.004129 0.019691
16.06899 0.34084 4.92526 -0.014248 0.183422 0.060339
14.63768 15.41566 3.05858 -0.027425 0.032543 0.041441
12.21694 15.07373 9.87203 -0.007525 0.009542 -0.019516
15.65466 0.14914 13.86557 -0.057877 -0.035561 -0.070628
14.35754 15.71932 11.91759 -0.021177 -0.007093 -0.043597
14.30081 12.83268 16.21967 -0.023416 0.001974 0.016465
8.77223 10.39607 2.47225 -0.002776 -0.003072 -0.002315
12.91187 8.54216 10.48161 0.005561 0.016214 0.013844
8.49467 15.82840 2.99445 -0.007085 -0.008508 -0.008130
1.32045 2.68577 1.08043 -0.285156 6.115950 7.217385
5.44581 4.42337 3.31859 -1.432229 -0.062746 0.326412
2.71895 4.15019 2.95898 4.589863 0.281154 5.903715
2.89361 2.63574 7.84048 0.096175 0.032792 -0.191853
3.72928 2.61904 13.46082 0.096045 0.135374 -0.278117
1.12195 3.42722 9.72736 0.004841 -0.091572 -0.336048
2.69176 4.49808 11.70258 -0.143433 0.019069 -0.244120
1.13271 5.33613 0.95032 0.708391 -6.631174 8.811436
4.03043 8.42197 5.67301 -0.046137 -0.439695 0.181956
3.75157 11.03623 5.64253 0.023508 -0.080986 0.033005
2.52170 7.25791 7.75547 0.161017 -0.127233 -0.289072
17.39856 7.13193 7.68295 -0.052982 -0.094816 -0.162135
1.18188 6.06412 9.94036 0.004437 0.078529 -0.190510
1.18202 8.73358 9.65531 0.019109 -0.162429 -0.152966
3.91098 11.84592 13.59643 0.010033 -0.020352 -0.074443
5.12928 10.31683 11.41789 0.052380 -0.028912 -0.062959
2.50977 10.51875 11.46580 -0.013450 -0.017665 -0.055382
17.45087 6.59897 16.12377 -0.581480 0.403030 -0.772928
3.55980 13.67281 5.25157 0.027483 -0.029133 0.094316
1.28803 14.62748 0.64715 -0.020455 -0.157412 -0.038902
4.98905 14.24610 3.11864 0.038854 -0.003560 0.031193
2.40264 15.06164 3.08512 0.107200 -0.180970 0.207457
2.72172 12.72875 7.62075 0.010717 -0.007126 -0.009438
1.06333 11.39589 9.35618 0.001825 -0.007864 -0.038509
3.61212 17.43666 14.11103 0.098238 -0.293813 -0.241279
2.61877 15.69429 12.36150 -0.055308 -0.029967 -0.099766
2.80206 13.36593 15.83914 0.063376 -0.017926 -0.048911
17.47316 13.58140 16.05649 -0.060584 -0.019792 -0.034872
9.77890 2.08644 1.42003 0.016036 0.029837 0.064330
11.39452 4.37239 2.86549 0.067148 0.017440 0.091876
5.75314 2.47184 7.89843 -0.273206 0.048451 -0.250408
10.58974 3.42804 13.84178 -0.010169 -0.006788 0.002666
7.29963 3.26088 10.01774 -0.006672 -0.077587 -0.149291
10.61644 6.04073 13.30213 -0.026458 -0.033808 -0.024291
8.72282 4.57356 11.93667 0.015921 -0.003690 -0.040738
6.87268 5.85394 1.60201 -0.011301 -0.245942 0.331882
10.69996 7.99849 7.09252 -0.015949 -0.033810 -0.015853
5.73707 8.23825 1.01832 0.068909 0.007350 0.103744
10.63831 11.82289 5.95914 -0.000550 -0.002963 0.002759
12.27791 10.92294 3.59234 -0.018816 -0.014324 0.025426
7.82470 9.40720 2.06031 0.019227 0.008311 0.036906
7.06519 5.95381 10.03323 -0.040515 0.090909 -0.173709
11.49637 8.56646 14.11248 -0.018520 0.009269 -0.006484
6.22218 8.54831 9.46647 -0.010454 -0.131067 -0.101459
10.64255 10.88430 15.28736 -0.001817 0.000639 0.000397
5.27533 6.08183 16.89617 0.342176 0.023619 0.214299
6.19392 10.87447 0.49133 0.015517 -0.024795 0.060921
6.63594 13.50144 0.40946 0.015418 0.004070 0.022309
9.20318 15.33527 4.12194 0.012099 0.017508 0.025771
8.65369 12.87516 7.41323 0.006726 0.003508 -0.003705
5.50203 12.61795 6.94111 0.013024 -0.003159 0.007483
10.10713 13.64215 15.27789 0.000778 0.006075 0.002301
10.67911 0.87544 14.08625 -0.007535 0.003715 0.003813
11.60356 17.20368 11.75834 0.000298 0.003804 -0.020811
8.39118 11.91622 16.60701 0.021842 -0.000655 0.009854
5.50451 12.34914 15.80657 0.052805 -0.009746 0.030462
15.73327 3.04046 5.55542 0.185226 0.416305 -0.509553
16.46394 5.60663 5.46979 0.207694 -0.516514 -0.556367
14.52808 1.45286 7.47168 0.182494 0.055523 -0.184812
11.79275 1.56088 7.78873 -0.002916 0.019115 -0.049054
13.32704 0.21681 9.64565 0.023996 0.092133 -0.123410
16.41790 2.90736 14.26355 -0.107536 0.073198 -0.211463
13.45171 2.82808 9.57211 0.007274 -0.061967 -0.132337
16.10069 5.57752 13.99343 -0.084482 -0.097733 -0.197271
0.00005 4.40711 11.99025 0.097579 0.013558 -0.210221
14.62884 1.73967 16.17160 -0.353537 0.002575 0.155672
11.98368 2.03831 16.06725 -0.047421 0.012153 0.040253
15.63239 8.11986 5.68103 0.017002 -0.279601 0.124994
17.11138 8.55854 3.60414 -0.140067 -0.076696 0.298331
14.79559 9.98222 3.60061 0.006911 -0.048010 0.074303
14.83832 6.40254 7.47085 0.089894 -0.059035 -0.132738
10.26118 5.42988 7.96507 -0.008357 0.002398 -0.029741
13.84142 5.42996 10.14226 0.008995 0.026885 -0.072123
12.90067 9.94534 10.26834 -0.013428 -0.021918 -0.029181
17.40760 10.25314 11.57387 0.087168 0.011777 -0.138436
14.84553 10.65634 12.01294 -0.087765 0.035971 -0.072805
12.09160 6.31793 15.56215 -0.049312 -0.022118 0.008969
13.66330 11.76838 1.50243 -0.009607 -0.008800 0.060929
15.90808 14.97969 5.66759 -0.002475 0.095861 -0.011962
12.90234 14.38066 1.10662 -0.007361 0.054811 0.058083
17.39979 15.79595 3.12260 -0.288605 0.028321 0.326639
14.24465 13.87010 7.98683 0.013874 0.008147 -0.022321
11.50975 12.98027 8.22780 -0.021285 -0.002163 -0.024184
13.37751 12.44417 10.26044 -0.014225 0.027988 -0.046446
15.76289 14.59733 14.23402 -0.024541 -0.010175 -0.029746
17.35248 15.55367 12.27553 0.052829 -0.016062 -0.084234
11.51892 12.39014 17.28946 -0.014814 0.003208 0.016790
2.14782 0.44560 2.19550 -0.060296 0.030067 -0.102511
3.29477 2.11300 4.94555 0.024002 -0.137473 0.043949
2.45654 5.15830 5.71352 -0.030993 -0.025237 0.103344
17.13665 1.28635 8.55333 0.004382 0.016143 -0.005628
2.05496 17.16622 9.63831 0.007900 -0.004826 0.004718
2.76007 4.61458 14.97268 0.028025 0.014379 0.032561
5.82104 5.64963 12.65472 -0.000209 -0.002571 0.004112
1.99867 2.73895 15.76239 0.005277 -0.016347 0.114101
16.62702 0.41219 17.23014 -0.003333 -0.008262 0.017473
0.53299 8.97932 0.15968 -0.070796 0.184167 0.069383
6.28070 9.99466 4.05905 0.012246 0.011248 0.005177
2.80484 10.34140 2.60493 -0.004085 -0.031280 0.004148
5.85876 7.59725 14.24081 0.023675 0.018405 -0.020716
2.33378 8.07412 16.06384 0.105200 0.088350 -0.053410
0.72196 11.42800 1.39191 0.001451 -0.012967 0.005840
4.17641 17.36384 8.00554 0.002391 0.047255 -0.009924
0.17664 14.81238 7.80592 0.002564 -0.001438 0.005410
5.28314 15.15948 14.98492 -0.011780 0.006240 0.000052
1.99589 13.21868 11.02572 -0.002983 0.004700 0.004024
4.90269 16.46159 10.85427 0.002567 -0.007294 -0.008673
11.44760 2.27402 4.62061 -0.007257 -0.006868 0.001106
6.42001 2.18281 1.50214 -0.000748 -0.026062 -0.023215
11.20298 6.44871 5.00937 -0.005755 0.004706 0.001758
8.23943 2.94593 3.71752 0.006067 -0.003817 0.000986
9.07830 3.43667 7.86385 -0.004306 0.002337 0.007606
8.13841 17.45818 9.05432 -0.002361 0.004904 -0.005516
11.09062 4.59939 10.31069 -0.007742 0.000479 0.007293
8.29143 2.75175 15.42638 -0.003816 -0.000301 0.011270
8.82941 17.22992 17.22214 0.005001 0.008687 0.006750
7.50840 7.62286 6.62087 0.007495 0.013537 -0.004420
4.60511 5.74329 8.41778 0.007022 -0.002623 0.018372
12.92668 11.75537 13.63632 0.002377 -0.003301 0.000666
8.02117 10.55523 12.10517 -0.004058 -0.002324 0.000730
8.67556 7.71636 17.49570 0.017073 0.004596 -0.005156
11.47875 15.24589 6.91703 0.001011 -0.003538 0.008072
9.35972 16.97903 6.56192 0.003413 0.004757 0.007078
11.03713 17.07922 2.67792 -0.000035 -0.001014 0.001042
7.42775 12.08916 10.09180 -0.000600 -0.004874 0.003974
7.92017 14.83580 12.09082 -0.004106 0.007433 0.003253
8.50905 1.48718 11.99359 -0.000131 0.000850 0.011280
13.83892 16.58967 17.12637 0.006671 0.023293 0.014982
14.18064 2.16404 1.76300 -0.006478 -0.042211 -0.021781
0.22637 2.85420 3.74771 -0.778846 -0.678235 0.665663
13.55731 4.46328 4.56374 0.114539 -0.047611 0.034367
13.93368 3.48067 13.12140 0.009601 0.004406 0.000777
14.29477 4.78199 0.25086 0.010201 0.010879 0.004013
12.05112 9.01860 17.04503 0.005013 -0.007241 0.001773
16.27694 10.80430 6.52497 0.003380 0.005369 0.013078
16.72250 7.84092 12.70809 -0.001786 0.005944 -0.008988
0.08131 12.14367 13.72814 -0.000467 0.007362 0.010183
15.18747 8.06134 16.77823 0.020005 -0.022569 -0.006888
15.33129 0.80027 4.23469 -0.029195 -0.018617 -0.001739
15.22283 14.74953 2.39790 0.012933 0.021193 0.010776
11.52991 14.60593 10.60396 0.003048 0.001682 0.004138
14.54913 0.08259 13.94141 -0.016986 -0.010572 -0.020879
13.64918 15.17179 12.57877 -0.001974 0.002316 0.002679
14.26990 11.73639 16.04700 0.000662 -0.000227 0.007957
2.83011 17.00291 0.89614 0.036423 -0.091369 0.042282
5.01762 2.19884 4.72481 -0.041005 0.016902 -0.016289
2.72197 6.40768 4.52960 -0.018786 0.147005 0.026822
0.61592 0.85326 7.17988 -0.009621 -0.012684 0.008661
1.05804 0.47662 10.87149 0.002906 -0.007560 0.015377
2.72869 6.02833 13.97220 0.008723 0.012454 0.017584
6.27365 4.07474 13.21275 -0.011138 -0.003053 -0.006932
3.39789 2.54642 16.78232 -0.121161 0.002241 0.045895
0.26647 0.03376 15.97352 -0.086350 -0.055105 -0.052293
16.86896 8.04953 1.06168 -0.000736 -0.018309 -0.008604
5.26691 11.21282 3.35522 -0.012105 -0.006462 0.009643
1.79651 10.63408 3.97172 0.028468 0.006316 0.021134
4.24367 8.25477 13.91418 -0.009464 -0.010273 0.017354
3.20146 7.72932 0.04071 -0.029450 -0.002247 -0.001610
17.29565 11.52683 2.88643 -0.009904 0.056079 0.004241
5.09458 17.34903 6.48077 -0.005647 -0.009623 0.004855
16.80060 13.95067 9.04167 0.001202 -0.001376 0.003068
5.65314 14.35380 13.49055 0.007337 -0.007467 0.004948
2.85103 14.37043 10.06567 0.001849 -0.004280 0.005303
4.88020 0.46410 11.72901 -0.001324 0.001142 0.020988
11.82432 3.49932 5.78478 -0.007415 0.010285 0.012630
6.33916 3.40343 0.25044 -0.005297 -0.003481 0.011123
9.59394 6.71839 4.41200 0.008026 0.005173 0.000381
7.91802 4.38505 4.66043 0.026010 -0.003446 0.037245
8.23543 2.62518 6.58554 0.008302 0.003780 -0.007753
6.41431 17.32071 8.88054 0.005389 -0.012559 0.009126
11.14557 3.00954 10.98712 0.000143 -0.002684 0.004944
9.36027 3.86210 16.23230 0.000567 0.002622 -0.002613
7.53966 17.41529 0.94072 -0.003865 -0.006448 -0.000003
8.48774 8.36338 7.84778 -0.006066 -0.005484 0.007473
5.72768 5.64505 7.08615 0.025199 -0.015320 0.014273
11.53162 12.14308 12.66419 -0.001698 0.001450 0.005174
7.77778 8.79967 12.01567 -0.002737 0.003053 0.006655
7.67148 7.97660 16.05599 -0.017606 -0.008638 0.013831
11.96712 14.11387 5.69832 -0.001320 0.002121 0.001209
9.20674 0.45352 5.13285 -0.001889 -0.001505 -0.001766
12.42086 17.27854 3.71166 0.001021 0.003608 0.005181
5.72984 12.20671 9.71226 -0.001184 -0.003550 0.005061
7.06651 14.59485 10.54611 -0.000937 -0.000306 0.006837
8.18003 0.43236 13.34917 -0.008216 -0.001268 -0.001079
12.13433 16.79403 17.35819 -0.004081 -0.000516 0.009072
12.47800 1.85419 1.86970 0.008530 -0.002401 0.020873
16.61133 3.22326 2.47663 1.108674 0.604561 -0.441419
14.18380 5.80672 3.64923 0.048425 -0.027889 -0.006456
14.87276 2.50739 12.03337 -0.003898 -0.003933 0.010641
14.23243 6.19147 1.27631 0.013091 0.006996 -0.031310
12.93327 8.58137 1.02753 0.006253 0.001468 -0.001523
0.31818 10.15222 5.96061 0.003055 0.006444 0.003129
0.23893 8.66414 13.84372 -0.013204 -0.009833 0.029592
17.08408 11.06555 14.99139 -0.004431 -0.004424 -0.004088
14.24371 8.22849 15.33189 -0.035765 0.008263 0.014668
17.03243 0.72423 4.52831 0.044725 -0.051199 -0.008752
14.06257 14.70897 3.69175 0.000933 0.001123 0.008833
11.55248 15.52990 9.11606 -0.007535 -0.003784 0.000732
15.79992 0.71375 12.92180 -0.011179 -0.000663 -0.013148
14.66771 14.92743 11.20480 -0.008597 -0.006684 -0.002298
13.59723 13.22883 15.45681 -0.003420 -0.000107 0.005789
0.28893 16.96969 9.61776 -0.007362 -0.010214 0.003779
5.14861 8.79609 15.34428 -0.007799 -0.000059 0.004897
16.57887 10.76457 1.44815 0.022886 -0.024757 0.006419
3.32280 17.43531 6.45000 0.000154 -0.022191 0.001373
7.22345 0.33037 16.74849 -0.002389 0.004210 0.010505
8.80270 9.61454 10.81195 0.005441 0.001840 0.005255
8.32656 6.35754 16.39008 -0.000345 0.000206 0.001037
8.73549 15.20213 10.55252 0.004537 -0.005598 0.003664
11.35757 7.84337 0.68199 -0.012462 0.010376 0.007468
17.07689 11.54135 5.11708 -0.003668 -0.016932 -0.005081
1.05898 4.30352 7.32607 0.011631 0.023731 -0.061992
4.03509 12.56543 11.20951 0.002707 -0.001440 -0.008422
2.98241 12.61908 2.99845 0.015498 -0.011225 0.016241
13.02951 6.77394 13.23542 -0.010116 -0.001794 0.000203
9.81405 10.04557 13.02717 -0.001851 0.000782 0.001532
14.38062 12.44509 3.83928 -0.002958 -0.002509 0.012318
15.29130 12.60070 6.14349 0.001440 0.005889 -0.002461
1.51212 12.17674 0.04632 0.002462 -0.007382 -0.006677
5.20365 1.54821 15.21091 0.101756 -0.023229 -0.052486
6.79297 14.20253 8.32851 0.000665 0.003753 0.001437
11.61515 7.96197 6.76612 -0.002070 0.012503 0.009500
10.25461 10.96603 6.21744 -0.000331 0.008455 0.002557
11.90891 11.26603 4.43245 0.004064 0.001856 -0.003559
8.53540 10.78259 3.48001 -0.000992 0.003040 0.007385
9.76681 9.93079 2.50215 0.002518 0.001186 0.001038
8.80784 11.23977 1.76494 0.000143 -0.002056 0.003737
14.97448 6.01037 8.35394 -0.018154 -0.011365 0.053095
10.93413 4.83383 7.59381 -0.000984 -0.000816 0.016622
13.14865 5.92816 9.67432 -0.009162 0.006479 0.022815
12.65000 8.06887 9.52187 -0.005231 -0.003872 -0.002915
13.90414 8.18239 10.79823 -0.001109 0.000498 0.009729
12.16474 8.24325 11.23577 0.003503 -0.002480 0.003016
5.27827 14.04824 2.20496 -0.011864 0.004547 -0.002960
10.20084 2.92381 1.69633 -0.004327 -0.019476 -0.024942
7.46833 14.00510 0.41146 -0.004279 -0.003506 -0.003488
7.48179 15.39929 3.01468 0.000746 -0.001420 0.001139
8.41010 16.93048 3.00754 0.002479 0.004283 0.002313
8.99741 15.53505 2.05618 -0.003238 0.002867 0.008143
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 3 DIRECTION 3 : 0.246 -0.036 3.694
rigid augmentation : 0.000 0.000 0.185
ionic contribution : 0.000 0.000 4.000
Berry contribution : 0.246 -0.036 -0.491
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 10/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 13( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258920; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258984; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01032044
-V(xc)+E(xc) XCENC = 0.01951809
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03922675
---------------------------------------------------
free energy TOTEN = -0.03002910 eV
energy without entropy = -0.03002910
----------------------------------------- Iteration 13( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258920; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258984; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10530E+01 rms(broyden)= 0.10521E+01
rms(prec ) = 0.11262E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01032044
-V(xc)+E(xc) XCENC = 0.01951809
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01376010
---------------------------------------------------
free energy TOTEN = -0.00456245 eV
energy without entropy = -0.00456245
----------------------------------------- Iteration 13( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258896; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259008; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.63954E+00 rms(broyden)= 0.63947E+00
rms(prec ) = 0.68874E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4362
2.4362
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00968736
-V(xc)+E(xc) XCENC = 0.01728185
PAW double counting = 0.01404869 -0.01405071
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353074
---------------------------------------------------
free energy TOTEN = -0.00593827 eV
energy without entropy = -0.00593827
----------------------------------------- Iteration 13( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258855; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259049; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10508E+00 rms(broyden)= 0.10495E+00
rms(prec ) = 0.13499E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8377
1.2774 2.3980
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00914578
-V(xc)+E(xc) XCENC = 0.01605430
PAW double counting = 0.08634407 -0.08635574
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01351690
---------------------------------------------------
free energy TOTEN = -0.00662006 eV
energy without entropy = -0.00662006
----------------------------------------- Iteration 13( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258846; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259059; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.61411E-01 rms(broyden)= 0.61390E-01
rms(prec ) = 0.81887E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7237
2.4772 1.9554 0.7387
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00886938
-V(xc)+E(xc) XCENC = 0.01570648
PAW double counting = 0.08891927 -0.08893008
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373223
---------------------------------------------------
free energy TOTEN = -0.00690593 eV
energy without entropy = -0.00690593
----------------------------------------- Iteration 13( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258836; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259068; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.27562E-01 rms(broyden)= 0.27549E-01
rms(prec ) = 0.41581E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6832
2.6660 2.1245 1.1110 0.8312
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00874088
-V(xc)+E(xc) XCENC = 0.01557995
PAW double counting = 0.09145129 -0.09146229
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01382362
---------------------------------------------------
free energy TOTEN = -0.00699555 eV
energy without entropy = -0.00699555
----------------------------------------- Iteration 13( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258829; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259076; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.14456E-01 rms(broyden)= 0.14448E-01
rms(prec ) = 0.23424E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7981
3.2327 2.4056 1.5528 0.8997 0.8997
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00873010
-V(xc)+E(xc) XCENC = 0.01563719
PAW double counting = 0.09179758 -0.09180859
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01382579
---------------------------------------------------
free energy TOTEN = -0.00692971 eV
energy without entropy = -0.00692971
----------------------------------------- Iteration 13( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258821; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259083; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.64248E-02 rms(broyden)= 0.64176E-02
rms(prec ) = 0.10225E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8343
3.5010 2.4748 2.0098 1.1783 0.8524 0.9894
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00871871
-V(xc)+E(xc) XCENC = 0.01570393
PAW double counting = 0.09127613 -0.09128699
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01383170
---------------------------------------------------
free energy TOTEN = -0.00685734 eV
energy without entropy = -0.00685734
----------------------------------------- Iteration 13( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258818; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259086; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.31335E-02 rms(broyden)= 0.31280E-02
rms(prec ) = 0.47176E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8200
3.9461 2.4647 2.1569 1.3779 1.0231 0.9394 0.8321
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872074
-V(xc)+E(xc) XCENC = 0.01573158
PAW double counting = 0.09113890 -0.09114978
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01382623
---------------------------------------------------
free energy TOTEN = -0.00682626 eV
energy without entropy = -0.00682626
----------------------------------------- Iteration 13( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258816; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259088; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.16173E-02 rms(broyden)= 0.16154E-02
rms(prec ) = 0.24521E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9648
4.7399 2.8501 2.4203 1.7778 1.2149 0.9483 0.9483 0.8193
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00871841
-V(xc)+E(xc) XCENC = 0.01573078
PAW double counting = 0.09118702 -0.09119792
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01382567
---------------------------------------------------
free energy TOTEN = -0.00682419 eV
energy without entropy = -0.00682419
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1392 0.00000
5 0.1251 0.00000
6 0.0415 0.00000
7 -0.0364 0.00000
8 0.0330 0.00000
9 0.1494 0.00000
10 0.0816 0.00000
11 -0.0719 0.00000
12 0.0630 0.00000
13 -0.2536 0.00000
14 -0.1407 0.00000
15 -0.0716 0.00000
16 0.0486 0.00000
17 -0.0707 0.00000
18 0.0966 0.00000
19 -0.1234 0.00000
20 -0.3292 0.00000
21 -0.1545 0.00000
22 -0.0660 0.00000
23 0.1001 0.00000
24 0.0640 0.00000
25 0.1431 0.00000
26 0.4405 0.00000
27 0.4200 0.00000
28 -0.0049 0.00000
29 -0.0287 0.00000
30 -0.3152 0.00000
31 0.0628 0.00000
32 0.0775 0.00000
33 0.0878 0.00000
34 0.0876 0.00000
35 0.0571 0.00000
36 0.0411 0.00000
37 0.0237 0.00000
38 0.1297 0.00000
39 0.0563 0.00000
40 0.0014 0.00000
41 0.1274 0.00000
42 -0.0021 0.00000
43 0.1044 0.00000
44 -2.0934 0.00000
45 -0.1465 0.00000
46 -0.1441 0.00000
47 -0.0998 0.00000
48 0.0605 0.00000
49 0.0197 0.00000
50 0.0977 0.00000
51 0.0990 0.00000
52 0.0947 0.00000
53 0.0145 0.00000
54 0.0296 0.00000
55 0.1603 0.00000
56 0.1891 0.00000
57 -0.2659 0.00000
58 0.1183 0.00000
59 0.0458 0.00000
60 0.5826 0.00000
61 0.0571 0.00000
62 0.3883 0.00000
63 0.0956 0.00000
64 0.1145 0.00000
65 0.2138 0.00000
66 0.3940 0.00000
67 0.1728 0.00000
68 0.0537 0.00000
69 0.0584 0.00000
70 0.0592 0.00000
71 0.2604 0.00000
72 0.1222 0.00000
73 0.0536 0.00000
74 0.0462 0.00000
75 -0.0170 0.00000
76 0.0434 0.00000
77 0.0122 0.00000
78 0.0823 0.00000
79 -0.3329 0.00000
80 -0.0040 0.00000
81 -0.1038 0.00000
82 0.1267 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0040 0.00000
90 -0.3119 0.00000
91 -0.3524 0.00000
92 -0.1225 0.00000
93 0.0432 0.00000
94 0.1196 0.00000
95 0.0407 0.00000
96 0.0834 0.00000
97 -0.2117 0.00000
98 0.0546 0.00000
99 0.0466 0.00000
100 0.0840 0.00000
101 -0.0712 0.00000
102 0.1220 0.00000
103 -0.0101 0.00000
104 0.0606 0.00000
105 -0.1717 0.00000
106 0.0423 0.00000
107 -0.0068 0.00000
108 0.4463 0.00000
109 0.0563 0.00000
110 0.0421 0.00000
111 0.0634 0.00000
112 0.0716 0.00000
113 -0.0173 0.00000
114 0.2011 0.00000
115 -0.1507 0.00000
116 -0.0444 0.00000
117 0.1912 0.00000
118 0.0809 0.00000
119 0.0591 0.00000
120 0.1123 0.00000
121 0.1397 0.00000
122 -0.3809 0.00000
123 0.1292 0.00000
124 0.1615 0.00000
125 -0.0012 0.00000
126 -0.1364 0.00000
127 -0.0665 0.00000
128 -0.0310 0.00000
129 0.1133 0.00000
130 -0.0280 0.00000
131 0.0629 0.00000
132 -0.2023 0.00000
133 0.0133 0.00000
134 -0.1866 0.00000
135 0.0117 0.00000
136 -0.2457 0.00000
137 -0.0423 0.00000
138 0.4030 0.00000
139 -0.0375 0.00000
140 0.0303 0.00000
141 -0.4089 0.00000
142 0.0648 0.00000
143 0.0054 0.00000
144 0.0382 0.00000
145 0.0387 0.00000
146 0.0561 0.00000
147 0.0093 0.00000
148 -0.0086 0.00000
149 0.1211 0.00000
150 -0.0334 0.00000
151 0.0639 0.00000
152 0.0321 0.00000
153 0.0613 0.00000
154 0.1208 0.00000
155 0.2357 0.00000
156 0.0001 0.00000
157 0.0042 0.00000
158 0.6351 0.00000
159 0.1302 0.00000
160 0.1318 0.00000
161 -0.0757 0.00000
162 0.1116 0.00000
163 -0.1734 0.00000
164 0.0037 0.00000
165 -0.0427 0.00000
166 0.1534 0.00000
167 0.0571 0.00000
168 -0.7089 0.00000
169 0.0499 0.00000
170 0.0676 0.00000
171 -0.0178 0.00000
172 -0.0847 0.00000
173 0.0974 0.00000
174 0.0512 0.00000
175 0.0121 0.00000
176 0.0308 0.00000
177 -0.3514 0.00000
178 -0.0143 0.00000
179 -0.0024 0.00000
180 0.0558 0.00000
181 -0.0374 0.00000
182 -0.0853 0.00000
183 -0.0611 0.00000
184 -0.3127 0.00000
185 -0.3392 0.00000
186 -0.1078 0.00000
187 0.0241 0.00000
188 0.0704 0.00000
189 -0.0464 0.00000
190 -0.0131 0.00000
191 0.0549 0.00000
192 -0.0736 0.00000
193 0.0637 0.00000
194 0.0886 0.00000
195 0.2514 0.00000
196 0.2349 0.00000
197 0.3339 0.00000
198 0.0264 0.00000
199 -0.0619 0.00000
200 -0.0507 0.00000
201 -0.0484 0.00000
202 0.0701 0.00000
203 0.3093 0.00000
204 0.3534 0.00000
205 -0.0264 0.00000
206 0.1466 0.00000
207 0.0292 0.00000
208 0.0371 0.00000
209 0.0431 0.00000
210 0.0499 0.00000
211 0.0053 0.00000
212 0.0139 0.00000
213 0.0056 0.00000
214 0.0969 0.00000
215 0.0719 0.00000
216 -0.2912 0.00000
217 0.0233 0.00000
218 0.1383 0.00000
219 0.0281 0.00000
220 -0.0324 0.00000
221 0.0300 0.00000
222 0.0454 0.00000
223 0.0635 0.00000
224 0.0547 0.00000
225 0.2052 0.00000
226 0.2010 0.00000
227 -0.1305 0.00000
228 0.0171 0.00000
229 0.1282 0.00000
230 0.0687 0.00000
231 -0.0855 0.00000
232 -0.2322 0.00000
233 -0.2702 0.00000
234 -0.3524 0.00000
235 -0.0183 0.00000
236 -0.1624 0.00000
237 -0.0670 0.00000
238 0.0495 0.00000
239 -0.0219 0.00000
240 -0.3226 0.00000
241 -0.0629 0.00000
242 -0.0698 0.00000
243 -0.3008 0.00000
244 -0.0041 0.00000
245 0.0781 0.00000
246 -0.0601 0.00000
247 -0.0309 0.00000
248 -0.0994 0.00000
249 -0.1254 0.00000
250 -0.0431 0.00000
251 -0.0279 0.00000
252 -0.0307 0.00000
253 0.1120 0.00000
254 0.0111 0.00000
255 0.2161 0.00000
256 -0.0044 0.00000
257 0.0766 0.00000
258 0.1175 0.00000
259 0.0914 0.00000
260 0.0899 0.00000
261 0.0200 0.00000
262 0.0605 0.00000
263 0.0003 0.00000
264 -0.0277 0.00000
265 -0.0113 0.00000
266 -0.0586 0.00000
267 0.0683 0.00000
268 -0.0474 0.00000
269 -0.0108 0.00000
270 0.0233 0.00000
271 0.0211 0.00000
272 0.0076 0.00000
273 -0.0840 0.00000
274 -0.0310 0.00000
275 0.0171 0.00000
276 -0.0125 0.00000
277 -0.0708 0.00000
278 -0.4614 0.00000
279 -0.0007 0.00000
280 0.0107 0.00000
281 -0.0348 0.00000
282 -0.0723 0.00000
283 -0.0403 0.00000
284 0.1619 0.00000
285 0.0114 0.00000
286 -0.0111 0.00000
287 0.0276 0.00000
288 0.0538 0.00000
289 0.1177 0.00000
290 0.0503 0.00000
291 0.0566 0.00000
292 -0.0744 0.00000
293 0.0765 0.00000
294 -0.0553 0.00000
295 -0.0147 0.00000
296 0.1356 0.00000
297 0.0194 0.00000
298 0.1173 0.00000
299 -0.0589 0.00000
300 0.0061 0.00000
301 -0.0109 0.00000
302 0.1558 0.00000
303 0.0853 0.00000
304 0.0950 0.00000
305 -0.0048 0.00000
306 0.0791 0.00000
307 0.0687 0.00000
308 0.0335 0.00000
309 -0.0211 0.00000
310 -0.0182 0.00000
311 -0.0622 0.00000
312 0.1056 0.00000
313 -0.0365 0.00000
314 -0.0160 0.00000
315 0.0807 0.00000
316 -0.0366 0.00000
317 -0.0199 0.00000
318 0.0420 0.00000
319 0.0097 0.00000
320 -0.2982 0.00000
321 0.1262 0.00000
322 -0.0208 0.00000
323 -0.0545 0.00000
324 0.0290 0.00000
325 0.0360 0.00000
326 0.0218 0.00000
327 -0.0109 0.00000
328 -0.0014 0.00000
329 0.0539 0.00000
330 -0.0186 0.00000
331 -0.0277 0.00000
332 -0.0591 0.00000
333 -0.0188 0.00000
334 -0.0620 0.00000
335 0.0195 0.00000
336 0.0161 0.00000
337 -0.0106 0.00000
338 -0.1017 0.00000
339 0.0695 0.00000
340 0.0183 0.00000
341 -0.0243 0.00000
342 0.0414 0.00000
343 0.0934 0.00000
344 -0.0088 0.00000
345 -0.0228 0.00000
346 0.0123 0.00000
347 0.0199 0.00000
348 0.0260 0.00000
349 0.0175 0.00000
350 -0.0021 0.00000
351 0.0230 0.00000
352 -0.0157 0.00000
353 0.0146 0.00000
354 0.0497 0.00000
355 0.0132 0.00000
356 0.0716 0.00000
357 0.0145 0.00000
358 0.0287 0.00000
359 0.0171 0.00000
360 -0.0114 0.00000
361 0.0070 0.00000
362 0.0756 0.00000
363 0.0248 0.00000
364 0.0014 0.00000
365 0.0586 0.00000
366 -0.1478 0.00000
367 0.0625 0.00000
368 -0.0064 0.00000
369 0.0554 0.00000
370 0.0539 0.00000
371 0.0076 0.00000
372 0.0163 0.00000
373 0.0441 0.00000
374 -0.1419 0.00000
375 -0.0682 0.00000
376 0.0571 0.00000
377 -0.0138 0.00000
378 0.0147 0.00000
379 -0.1188 0.00000
380 -0.0421 0.00000
381 -0.0583 0.00000
382 0.0238 0.00000
383 0.1057 0.00000
384 0.0272 0.00000
385 0.0299 0.00000
386 0.0545 0.00000
387 -0.0700 0.00000
388 -0.0306 0.00000
389 0.0591 0.00000
390 0.0142 0.00000
391 0.0614 0.00000
392 -0.0234 0.00000
393 -0.0261 0.00000
394 -0.0008 0.00000
395 0.0625 0.00000
396 0.0439 0.00000
397 0.1070 0.00000
398 -0.0158 0.00000
399 -0.0277 0.00000
400 0.0805 0.00000
401 -0.1157 0.00000
402 0.0082 0.00000
403 0.0495 0.00000
404 0.0600 0.00000
405 0.0469 0.00000
406 0.0192 0.00000
407 -0.0313 0.00000
408 -0.0190 0.00000
409 -0.0280 0.00000
410 0.0723 0.00000
411 0.0557 0.00000
412 0.0488 0.00000
413 0.1486 0.00000
414 0.0615 0.00000
415 0.0430 0.00000
416 -0.0314 0.00000
417 -0.0368 0.00000
418 -0.0287 0.00000
419 0.0087 0.00000
420 0.0101 0.00000
421 -0.0041 0.00000
422 -0.0646 0.00000
423 -0.0115 0.00000
424 -0.0136 0.00000
425 -0.0305 0.00000
426 -0.0470 0.00000
427 0.0437 0.00000
428 -0.0495 0.00000
429 -0.0165 0.00000
430 -0.0590 0.00000
431 0.0429 0.00000
432 0.0693 0.00000
433 0.1541 0.00000
434 0.0970 0.00000
435 -0.0724 0.00000
436 -0.1238 0.00000
437 0.0328 0.00000
438 -0.0530 0.00000
439 0.1062 0.00000
440 -0.2458 0.00000
441 0.0794 0.00000
442 -0.0534 0.00000
443 -0.0009 0.00000
444 0.0716 0.00000
445 -0.0173 0.00000
446 -0.1101 0.00000
447 -0.0267 0.00000
448 -0.0072 0.00000
449 0.0386 0.00000
450 -0.0564 0.00000
451 -0.1771 0.00000
452 0.1342 0.00000
453 -0.0309 0.00000
454 -0.1861 0.00000
455 0.0831 0.00000
456 0.0889 0.00000
457 0.0200 0.00000
458 0.0054 0.00000
459 0.0666 0.00000
460 0.0593 0.00000
461 0.0223 0.00000
462 0.0605 0.00000
463 -0.0225 0.00000
464 0.0514 0.00000
465 0.0057 0.00000
466 0.0287 0.00000
467 0.0221 0.00000
468 0.1428 0.00000
469 0.0895 0.00000
470 -0.0607 0.00000
471 0.0260 0.00000
472 0.0857 0.00000
473 0.0550 0.00000
474 -0.0067 0.00000
475 -0.1294 0.00000
476 -0.1691 0.00000
477 0.1262 0.00000
478 0.0325 0.00000
479 0.0029 0.00000
480 0.2138 0.00000
481 0.0900 0.00000
482 0.1173 0.00000
483 -0.0168 0.00000
484 0.0941 0.00000
485 -0.0626 0.00000
486 0.0546 0.00000
487 -0.0272 0.00000
488 0.0405 0.00000
489 0.0598 0.00000
490 -0.1166 0.00000
491 0.1521 0.00000
492 -0.0569 0.00000
493 0.1852 0.00000
494 0.0841 0.00000
495 0.0371 0.00000
496 0.0957 0.00000
497 0.0748 0.00000
498 -0.0190 0.00000
499 -0.0707 0.00000
500 0.1047 0.00000
501 -0.0019 0.00000
502 0.0080 0.00000
503 0.0691 0.00000
504 0.0197 0.00000
505 -0.0018 0.00000
506 0.0040 0.00000
507 -0.1667 0.00000
508 0.0603 0.00000
509 -0.0480 0.00000
510 0.0383 0.00000
511 -0.0128 0.00000
512 0.1013 0.00000
513 0.0068 0.00000
514 0.0945 0.00000
515 0.0570 0.00000
516 0.0949 0.00000
517 -0.0161 0.00000
518 -0.0438 0.00000
519 0.0418 0.00000
520 0.0883 0.00000
521 -0.0157 0.00000
522 -0.0371 0.00000
523 0.0490 0.00000
524 0.0436 0.00000
525 -0.0316 0.00000
526 0.1110 0.00000
527 0.1863 0.00000
528 0.1524 0.00000
529 0.0311 0.00000
530 0.0404 0.00000
531 0.0279 0.00000
532 0.0813 0.00000
533 0.1013 0.00000
534 -0.1073 0.00000
535 0.0229 0.00000
536 0.0621 0.00000
537 0.0368 0.00000
538 0.0343 0.00000
539 0.0486 0.00000
540 0.0374 0.00000
541 -0.0033 0.00000
542 0.0268 0.00000
543 0.0481 0.00000
544 0.1949 0.00000
545 0.0301 0.00000
546 0.0665 0.00000
547 -0.0614 0.00000
548 -0.0937 0.00000
549 -0.0386 0.00000
550 -0.0540 0.00000
551 -0.0051 0.00000
552 -0.0281 0.00000
553 0.0458 0.00000
554 -0.0442 0.00000
555 0.0251 0.00000
556 -0.2254 0.00000
557 0.0913 0.00000
558 0.0761 0.00000
559 -0.0384 0.00000
560 0.0470 0.00000
561 0.0560 0.00000
562 0.0639 0.00000
563 0.0755 0.00000
564 -0.1200 0.00000
565 -0.2199 0.00000
566 0.0670 0.00000
567 -0.2149 0.00000
568 -0.1638 0.00000
569 -0.0711 0.00000
570 -0.1011 0.00000
571 -0.0579 0.00000
572 0.0373 0.00000
573 -0.0296 0.00000
574 0.0139 0.00000
575 -0.0553 0.00000
576 -0.1242 0.00000
577 0.0042 0.00000
578 0.0640 0.00000
579 -0.1372 0.00000
580 0.0509 0.00000
581 0.0371 0.00000
582 -0.0236 0.00000
583 0.0131 0.00000
584 0.1231 0.00000
585 0.1656 0.00000
586 0.1459 0.00000
587 0.0652 0.00000
588 0.0818 0.00000
589 -0.1279 0.00000
590 0.0662 0.00000
591 0.0088 0.00000
592 0.0042 0.00000
593 -0.0841 0.00000
594 -0.0488 0.00000
595 -0.0466 0.00000
596 -0.0688 0.00000
597 -0.0684 0.00000
598 0.0132 0.00000
599 0.0355 0.00000
600 0.0241 0.00000
601 0.0408 0.00000
602 -0.0224 0.00000
603 -0.0455 0.00000
604 0.0263 0.00000
605 0.0219 0.00000
606 0.0031 0.00000
607 -0.0243 0.00000
608 -0.0136 0.00000
609 -0.0352 0.00000
610 0.0727 0.00000
611 -0.0750 0.00000
612 0.0708 0.00000
613 -0.0240 0.00000
614 -0.0235 0.00000
615 -0.0427 0.00000
616 -0.0517 0.00000
617 0.0125 0.00000
618 -0.0499 0.00000
619 -0.0264 0.00000
620 0.0477 0.00000
621 0.0709 0.00000
622 -0.0372 0.00000
623 -0.0314 0.00000
624 -0.0426 0.00000
625 0.0307 0.00000
626 -0.0400 0.00000
627 -0.1128 0.00000
628 0.0286 0.00000
629 0.0212 0.00000
630 -0.1025 0.00000
631 0.0571 0.00000
632 -0.0349 0.00000
633 -0.0333 0.00000
634 -0.0608 0.00000
635 -0.0111 0.00000
636 -0.0554 0.00000
637 0.0076 0.00000
638 0.0037 0.00000
639 0.0180 0.00000
640 0.0371 0.00000
641 0.0143 0.00000
642 -0.0322 0.00000
643 -0.0068 0.00000
644 -0.0205 0.00000
645 0.0252 0.00000
646 -0.0672 0.00000
647 -0.0053 0.00000
648 0.0060 0.00000
649 -0.0500 0.00000
650 -0.0103 0.00000
651 0.0375 0.00000
652 0.0488 0.00000
653 0.0114 0.00000
654 0.0587 0.00000
655 0.0363 0.00000
656 0.0105 0.00000
657 0.0102 0.00000
658 -0.0083 0.00000
659 -0.0113 0.00000
660 0.0015 0.00000
661 -0.0022 0.00000
662 0.0090 0.00000
663 0.0251 0.00000
664 0.0888 0.00000
665 0.0099 0.00000
666 -0.0429 0.00000
667 -0.0224 0.00000
668 0.0789 0.00000
669 -0.0189 0.00000
670 -0.0486 0.00000
671 0.0210 0.00000
672 -0.0220 0.00000
673 0.0293 0.00000
674 -0.0050 0.00000
675 -0.0278 0.00000
676 -0.0201 0.00000
677 -0.0148 0.00000
678 0.1022 0.00000
679 -0.0465 0.00000
680 0.0331 0.00000
681 -0.0580 0.00000
682 0.0133 0.00000
683 -0.0030 0.00000
684 0.0212 0.00000
685 0.0560 0.00000
686 0.0255 0.00000
687 0.0185 0.00000
688 0.0058 0.00000
689 0.0308 0.00000
690 -0.0478 0.00000
691 0.0365 0.00000
692 -0.0268 0.00000
693 0.0410 0.00000
694 0.0192 0.00000
695 -0.0357 0.00000
696 0.0065 0.00000
697 0.0050 0.00000
698 0.0045 0.00000
699 0.0643 0.00000
700 -0.0147 0.00000
701 0.0070 0.00000
702 -0.0127 0.00000
703 -0.0083 0.00000
704 0.0179 0.00000
705 -0.0207 0.00000
706 0.0114 0.00000
707 -0.0197 0.00000
708 -0.0488 0.00000
709 0.0098 0.00000
710 -0.0125 0.00000
711 0.0016 0.00000
712 0.0349 0.00000
713 -0.0283 0.00000
714 -0.0063 0.00000
715 0.0706 0.00000
716 0.0430 0.00000
717 0.0409 0.00000
718 0.0333 0.00000
719 0.0028 0.00000
720 -0.0352 0.00000
721 -0.0579 0.00000
722 -0.0654 0.00000
723 -0.0142 0.00000
724 -0.1044 0.00000
725 0.0190 0.00000
726 0.0212 0.00000
727 0.0321 0.00000
728 -0.0095 0.00000
729 0.0293 0.00000
730 0.0875 0.00000
731 -0.0158 0.00000
732 0.0069 0.00000
733 0.0733 0.00000
734 0.0169 0.00000
735 0.0177 0.00000
736 -0.0404 0.00000
737 -0.0026 0.00000
738 -0.0130 0.00000
739 -0.0021 0.00000
740 -0.0377 0.00000
741 -0.0377 0.00000
742 0.0152 0.00000
743 -0.0097 0.00000
744 0.0605 0.00000
745 -0.0144 0.00000
746 -0.0533 0.00000
747 0.0102 0.00000
748 0.0343 0.00000
749 -0.0051 0.00000
750 -0.1067 0.00000
751 0.0640 0.00000
752 0.0226 0.00000
753 -0.0803 0.00000
754 0.0407 0.00000
755 0.0559 0.00000
756 -0.0297 0.00000
757 0.0133 0.00000
758 -0.0527 0.00000
759 0.0344 0.00000
760 0.0089 0.00000
761 -0.0778 0.00000
762 0.0137 0.00000
763 -0.0178 0.00000
764 0.0525 0.00000
765 -0.0028 0.00000
766 0.0708 0.00000
767 0.0150 0.00000
768 0.0106 0.00000
769 0.0336 0.00000
770 0.0151 0.00000
771 0.0327 0.00000
772 0.0243 0.00000
773 0.1283 0.00000
774 0.0389 0.00000
775 -0.0032 0.00000
776 0.0701 0.00000
777 0.0178 0.00000
778 0.0108 0.00000
779 0.0142 0.00000
780 0.0431 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1486 0.00000
5 0.1345 0.00000
6 0.0420 0.00000
7 -0.0373 0.00000
8 0.0341 0.00000
9 0.1494 0.00000
10 0.0811 0.00000
11 -0.0721 0.00000
12 0.0631 0.00000
13 -0.2536 0.00000
14 -0.1407 0.00000
15 -0.0716 0.00000
16 0.0484 0.00000
17 -0.0751 0.00000
18 0.1056 0.00000
19 -0.1275 0.00000
20 -0.3360 0.00000
21 -0.1545 0.00000
22 -0.0524 0.00000
23 0.0924 0.00000
24 0.0697 0.00000
25 0.0907 0.00000
26 0.6207 0.00000
27 0.2870 0.00000
28 0.0211 0.00000
29 -0.1626 0.00000
30 -0.2196 0.00000
31 0.0726 0.00000
32 0.0791 0.00000
33 0.0881 0.00000
34 0.0878 0.00000
35 0.0567 0.00000
36 0.0417 0.00000
37 0.0224 0.00000
38 0.1291 0.00000
39 0.0556 0.00000
40 0.0019 0.00000
41 0.1385 0.00000
42 -0.1016 0.00000
43 0.0970 0.00000
44 -2.2251 0.00000
45 0.0185 0.00000
46 0.0305 0.00000
47 -0.2062 0.00000
48 0.0611 0.00000
49 0.0336 0.00000
50 0.0838 0.00000
51 0.0798 0.00000
52 0.1074 0.00000
53 0.0063 0.00000
54 0.1027 0.00000
55 0.0995 0.00000
56 0.1864 0.00000
57 -0.2608 0.00000
58 0.1056 0.00000
59 0.0632 0.00000
60 0.5768 0.00000
61 0.1557 0.00000
62 0.1776 0.00000
63 0.1711 0.00000
64 0.1528 0.00000
65 0.2287 0.00000
66 0.3649 0.00000
67 0.0935 0.00000
68 0.1596 0.00000
69 0.0449 0.00000
70 0.0606 0.00000
71 0.2599 0.00000
72 0.1222 0.00000
73 0.0530 0.00000
74 0.0358 0.00000
75 -0.0493 0.00000
76 0.0759 0.00000
77 0.0188 0.00000
78 0.1153 0.00000
79 -0.3668 0.00000
80 -0.0036 0.00000
81 -0.1035 0.00000
82 0.1270 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0047 0.00000
90 -0.3080 0.00000
91 -0.3036 0.00000
92 -0.1780 0.00000
93 0.0624 0.00000
94 0.0861 0.00000
95 0.0553 0.00000
96 0.0931 0.00000
97 -0.2000 0.00000
98 0.0426 0.00000
99 0.0497 0.00000
100 0.0743 0.00000
101 -0.0654 0.00000
102 0.1145 0.00000
103 -0.0474 0.00000
104 0.1104 0.00000
105 -0.1281 0.00000
106 0.0025 0.00000
107 -0.0503 0.00000
108 0.4149 0.00000
109 0.0985 0.00000
110 0.0245 0.00000
111 0.1083 0.00000
112 0.0639 0.00000
113 -0.0001 0.00000
114 0.2674 0.00000
115 -0.2255 0.00000
116 -0.0414 0.00000
117 0.1681 0.00000
118 0.0799 0.00000
119 0.0694 0.00000
120 0.1233 0.00000
121 -0.0240 0.00000
122 -0.2298 0.00000
123 0.0843 0.00000
124 0.2016 0.00000
125 0.0055 0.00000
126 -0.1470 0.00000
127 -0.0451 0.00000
128 -0.0278 0.00000
129 0.1317 0.00000
130 -0.0800 0.00000
131 0.0627 0.00000
132 -0.2376 0.00000
133 0.0781 0.00000
134 -0.1966 0.00000
135 0.0123 0.00000
136 -0.2179 0.00000
137 -0.1121 0.00000
138 0.4318 0.00000
139 -0.0216 0.00000
140 0.0201 0.00000
141 -0.3978 0.00000
142 0.0605 0.00000
143 0.0053 0.00000
144 0.0382 0.00000
145 0.0357 0.00000
146 0.0606 0.00000
147 0.0077 0.00000
148 -0.0268 0.00000
149 0.1380 0.00000
150 -0.0295 0.00000
151 0.0789 0.00000
152 -0.0413 0.00000
153 0.1178 0.00000
154 0.1213 0.00000
155 0.2372 0.00000
156 0.0257 0.00000
157 0.1640 0.00000
158 0.2813 0.00000
159 0.0292 0.00000
160 0.2890 0.00000
161 0.0294 0.00000
162 0.1071 0.00000
163 0.0682 0.00000
164 -0.1672 0.00000
165 -0.0046 0.00000
166 0.0801 0.00000
167 0.0134 0.00000
168 -0.3167 0.00000
169 -0.1127 0.00000
170 -0.1375 0.00000
171 -0.0040 0.00000
172 -0.0638 0.00000
173 0.0848 0.00000
174 -0.0401 0.00000
175 0.0484 0.00000
176 -0.0575 0.00000
177 -0.0705 0.00000
178 -0.0589 0.00000
179 -0.0110 0.00000
180 -0.2137 0.00000
181 -0.0355 0.00000
182 -0.1308 0.00000
183 -0.0067 0.00000
184 -0.1890 0.00000
185 -0.4144 0.00000
186 -0.0339 0.00000
187 0.0318 0.00000
188 0.0376 0.00000
189 -0.0205 0.00000
190 0.0604 0.00000
191 0.0184 0.00000
192 -0.0743 0.00000
193 0.0206 0.00000
194 0.1734 0.00000
195 0.2928 0.00000
196 0.1876 0.00000
197 0.0385 0.00000
198 0.2839 0.00000
199 -0.0167 0.00000
200 -0.0828 0.00000
201 0.0859 0.00000
202 -0.0488 0.00000
203 0.2681 0.00000
204 0.1115 0.00000
205 0.0697 0.00000
206 0.2255 0.00000
207 0.1376 0.00000
208 0.0099 0.00000
209 0.0488 0.00000
210 0.0199 0.00000
211 0.0099 0.00000
212 -0.0099 0.00000
213 0.0643 0.00000
214 0.0481 0.00000
215 0.0565 0.00000
216 0.0358 0.00000
217 -0.2723 0.00000
218 0.1136 0.00000
219 0.0468 0.00000
220 0.0359 0.00000
221 -0.0470 0.00000
222 0.0497 0.00000
223 0.0449 0.00000
224 0.0544 0.00000
225 0.2604 0.00000
226 0.1229 0.00000
227 -0.0803 0.00000
228 0.0178 0.00000
229 0.1296 0.00000
230 0.0638 0.00000
231 -0.0854 0.00000
232 -0.2788 0.00000
233 -0.2236 0.00000
234 -0.3385 0.00000
235 -0.0248 0.00000
236 -0.0231 0.00000
237 -0.1540 0.00000
238 -0.0266 0.00000
239 -0.0183 0.00000
240 -0.3392 0.00000
241 -0.0469 0.00000
242 -0.1017 0.00000
243 -0.1897 0.00000
244 0.0566 0.00000
245 -0.0305 0.00000
246 -0.0996 0.00000
247 -0.0288 0.00000
248 -0.0163 0.00000
249 -0.1275 0.00000
250 -0.0832 0.00000
251 -0.0159 0.00000
252 0.0017 0.00000
253 0.0808 0.00000
254 0.1278 0.00000
255 0.0140 0.00000
256 0.1061 0.00000
257 -0.0119 0.00000
258 0.0660 0.00000
259 0.1356 0.00000
260 0.1255 0.00000
261 0.0012 0.00000
262 0.0759 0.00000
263 0.0681 0.00000
264 -0.0261 0.00000
265 -0.0254 0.00000
266 -0.1096 0.00000
267 -0.0209 0.00000
268 -0.0202 0.00000
269 -0.0133 0.00000
270 0.0058 0.00000
271 -0.0042 0.00000
272 -0.0247 0.00000
273 0.0164 0.00000
274 0.0243 0.00000
275 0.0859 0.00000
276 -0.0549 0.00000
277 0.0435 0.00000
278 -0.0796 0.00000
279 -0.3465 0.00000
280 -0.0813 0.00000
281 0.0283 0.00000
282 -0.0895 0.00000
283 -0.0075 0.00000
284 0.0537 0.00000
285 0.0103 0.00000
286 0.0683 0.00000
287 0.0627 0.00000
288 0.0027 0.00000
289 -0.1192 0.00000
290 0.0303 0.00000
291 0.0643 0.00000
292 0.0377 0.00000
293 0.0161 0.00000
294 -0.0222 0.00000
295 0.0256 0.00000
296 0.0686 0.00000
297 -0.0857 0.00000
298 0.1628 0.00000
299 0.0550 0.00000
300 0.0458 0.00000
301 0.1613 0.00000
302 -0.1184 0.00000
303 0.0152 0.00000
304 0.0847 0.00000
305 0.0486 0.00000
306 0.1308 0.00000
307 0.0227 0.00000
308 0.0701 0.00000
309 -0.0272 0.00000
310 0.0431 0.00000
311 -0.0441 0.00000
312 0.0462 0.00000
313 -0.0384 0.00000
314 0.0348 0.00000
315 0.0430 0.00000
316 -0.0516 0.00000
317 0.0480 0.00000
318 0.0346 0.00000
319 -0.0758 0.00000
320 -0.0654 0.00000
321 -0.0404 0.00000
322 -0.0688 0.00000
323 0.0372 0.00000
324 0.0095 0.00000
325 0.0310 0.00000
326 -0.0222 0.00000
327 0.0174 0.00000
328 0.0956 0.00000
329 -0.0320 0.00000
330 0.0366 0.00000
331 0.0513 0.00000
332 -0.0349 0.00000
333 -0.0396 0.00000
334 -0.0511 0.00000
335 -0.0861 0.00000
336 -0.0103 0.00000
337 -0.1102 0.00000
338 -0.0074 0.00000
339 0.1069 0.00000
340 0.0038 0.00000
341 0.0477 0.00000
342 -0.0580 0.00000
343 0.0360 0.00000
344 -0.0178 0.00000
345 0.0087 0.00000
346 -0.0248 0.00000
347 0.0530 0.00000
348 0.0294 0.00000
349 0.0142 0.00000
350 -0.0021 0.00000
351 0.0034 0.00000
352 -0.0023 0.00000
353 0.0160 0.00000
354 0.0458 0.00000
355 0.0536 0.00000
356 0.0626 0.00000
357 0.0113 0.00000
358 0.0214 0.00000
359 0.0125 0.00000
360 0.0525 0.00000
361 -0.0028 0.00000
362 0.0587 0.00000
363 -0.0260 0.00000
364 0.0433 0.00000
365 -0.0345 0.00000
366 0.0555 0.00000
367 0.0452 0.00000
368 -0.1179 0.00000
369 0.1007 0.00000
370 0.0078 0.00000
371 0.0889 0.00000
372 0.0397 0.00000
373 -0.0464 0.00000
374 -0.0226 0.00000
375 0.0590 0.00000
376 0.0245 0.00000
377 0.0157 0.00000
378 0.0024 0.00000
379 -0.1012 0.00000
380 0.0505 0.00000
381 -0.1671 0.00000
382 -0.1724 0.00000
383 -0.1139 0.00000
384 0.0244 0.00000
385 0.0928 0.00000
386 -0.0693 0.00000
387 0.0455 0.00000
388 0.0617 0.00000
389 0.0379 0.00000
390 0.0485 0.00000
391 0.0021 0.00000
392 0.0426 0.00000
393 -0.0750 0.00000
394 0.0746 0.00000
395 0.0109 0.00000
396 0.0550 0.00000
397 0.0459 0.00000
398 -0.0109 0.00000
399 -0.0126 0.00000
400 0.0389 0.00000
401 0.0045 0.00000
402 0.0087 0.00000
403 -0.0470 0.00000
404 0.0231 0.00000
405 -0.0502 0.00000
406 0.0219 0.00000
407 0.0346 0.00000
408 0.1523 0.00000
409 -0.0487 0.00000
410 0.0824 0.00000
411 0.0551 0.00000
412 0.0984 0.00000
413 0.0421 0.00000
414 0.2026 0.00000
415 -0.1090 0.00000
416 0.0800 0.00000
417 0.0393 0.00000
418 -0.2535 0.00000
419 0.1586 0.00000
420 0.0062 0.00000
421 0.0039 0.00000
422 -0.1205 0.00000
423 0.0422 0.00000
424 -0.0551 0.00000
425 -0.1200 0.00000
426 0.0252 0.00000
427 0.0233 0.00000
428 -0.0528 0.00000
429 0.0855 0.00000
430 -0.0215 0.00000
431 0.0591 0.00000
432 0.0245 0.00000
433 0.0660 0.00000
434 -0.0224 0.00000
435 -0.1491 0.00000
436 -0.0262 0.00000
437 0.0458 0.00000
438 0.0842 0.00000
439 -0.0249 0.00000
440 0.0189 0.00000
441 -0.0065 0.00000
442 0.0737 0.00000
443 -0.0320 0.00000
444 -0.1519 0.00000
445 0.0042 0.00000
446 -0.0640 0.00000
447 -0.0395 0.00000
448 0.0982 0.00000
449 -0.1693 0.00000
450 -0.0797 0.00000
451 -0.0498 0.00000
452 0.1073 0.00000
453 -0.1254 0.00000
454 -0.0713 0.00000
455 0.0855 0.00000
456 0.0741 0.00000
457 0.0927 0.00000
458 0.0226 0.00000
459 -0.0484 0.00000
460 0.1045 0.00000
461 0.0244 0.00000
462 0.0374 0.00000
463 -0.0372 0.00000
464 0.0631 0.00000
465 0.0066 0.00000
466 0.0583 0.00000
467 -0.0902 0.00000
468 -0.0087 0.00000
469 0.0468 0.00000
470 0.2647 0.00000
471 -0.0113 0.00000
472 0.0470 0.00000
473 0.0384 0.00000
474 0.0611 0.00000
475 -0.1318 0.00000
476 -0.0341 0.00000
477 -0.1643 0.00000
478 0.2468 0.00000
479 0.1689 0.00000
480 0.0381 0.00000
481 0.0030 0.00000
482 0.1081 0.00000
483 0.1746 0.00000
484 -0.0924 0.00000
485 -0.0501 0.00000
486 0.0753 0.00000
487 0.0970 0.00000
488 0.0154 0.00000
489 0.0656 0.00000
490 0.0275 0.00000
491 0.0176 0.00000
492 -0.0187 0.00000
493 -0.0957 0.00000
494 -0.0190 0.00000
495 -0.0016 0.00000
496 0.1729 0.00000
497 0.0505 0.00000
498 -0.0050 0.00000
499 0.0153 0.00000
500 0.1425 0.00000
501 0.0287 0.00000
502 -0.0250 0.00000
503 0.0268 0.00000
504 -0.0117 0.00000
505 0.1027 0.00000
506 0.1117 0.00000
507 0.0072 0.00000
508 0.0297 0.00000
509 -0.1539 0.00000
510 0.1820 0.00000
511 -0.0531 0.00000
512 -0.0494 0.00000
513 0.0367 0.00000
514 0.0643 0.00000
515 0.0012 0.00000
516 0.1628 0.00000
517 -0.1058 0.00000
518 -0.0316 0.00000
519 0.0808 0.00000
520 -0.0663 0.00000
521 0.0362 0.00000
522 0.0540 0.00000
523 0.0551 0.00000
524 -0.0036 0.00000
525 -0.0053 0.00000
526 0.0812 0.00000
527 0.1180 0.00000
528 0.0569 0.00000
529 0.1495 0.00000
530 0.0123 0.00000
531 0.0185 0.00000
532 0.0749 0.00000
533 -0.0105 0.00000
534 0.0425 0.00000
535 0.0451 0.00000
536 -0.0266 0.00000
537 0.0297 0.00000
538 0.0760 0.00000
539 0.2211 0.00000
540 0.0774 0.00000
541 -0.0079 0.00000
542 0.0608 0.00000
543 0.0017 0.00000
544 0.0280 0.00000
545 0.0542 0.00000
546 -0.0088 0.00000
547 0.0630 0.00000
548 -0.0226 0.00000
549 -0.1433 0.00000
550 -0.0298 0.00000
551 0.0744 0.00000
552 0.0763 0.00000
553 0.0100 0.00000
554 -0.1326 0.00000
555 -0.0651 0.00000
556 -0.0014 0.00000
557 -0.0344 0.00000
558 0.0085 0.00000
559 0.1019 0.00000
560 0.0166 0.00000
561 -0.0468 0.00000
562 0.0351 0.00000
563 0.0238 0.00000
564 0.0677 0.00000
565 -0.1636 0.00000
566 -0.1603 0.00000
567 -0.3895 0.00000
568 -0.0654 0.00000
569 -0.0263 0.00000
570 0.0109 0.00000
571 -0.0876 0.00000
572 0.0060 0.00000
573 -0.0029 0.00000
574 -0.1429 0.00000
575 0.0937 0.00000
576 0.0913 0.00000
577 -0.2364 0.00000
578 0.0986 0.00000
579 0.0812 0.00000
580 -0.1255 0.00000
581 -0.0327 0.00000
582 -0.0401 0.00000
583 0.0474 0.00000
584 0.3642 0.00000
585 0.0077 0.00000
586 0.0880 0.00000
587 0.0676 0.00000
588 0.0802 0.00000
589 -0.1284 0.00000
590 0.0919 0.00000
591 -0.0182 0.00000
592 0.0160 0.00000
593 -0.0894 0.00000
594 -0.0488 0.00000
595 -0.0466 0.00000
596 -0.0690 0.00000
597 -0.0688 0.00000
598 -0.0165 0.00000
599 0.0881 0.00000
600 -0.0380 0.00000
601 0.1013 0.00000
602 -0.0548 0.00000
603 -0.0373 0.00000
604 0.0584 0.00000
605 -0.0284 0.00000
606 0.0454 0.00000
607 0.0356 0.00000
608 -0.1363 0.00000
609 -0.0529 0.00000
610 0.1524 0.00000
611 -0.0773 0.00000
612 0.0040 0.00000
613 -0.0475 0.00000
614 -0.0053 0.00000
615 -0.0182 0.00000
616 0.0183 0.00000
617 0.0356 0.00000
618 -0.0033 0.00000
619 -0.0723 0.00000
620 -0.0081 0.00000
621 -0.0806 0.00000
622 0.0106 0.00000
623 0.0115 0.00000
624 -0.0645 0.00000
625 -0.0501 0.00000
626 -0.0073 0.00000
627 -0.1924 0.00000
628 -0.0006 0.00000
629 0.0342 0.00000
630 0.1423 0.00000
631 -0.0398 0.00000
632 -0.0154 0.00000
633 0.0283 0.00000
634 0.0072 0.00000
635 0.0024 0.00000
636 -0.0337 0.00000
637 0.0455 0.00000
638 -0.0258 0.00000
639 -0.0491 0.00000
640 -0.0457 0.00000
641 0.0228 0.00000
642 -0.0019 0.00000
643 0.0152 0.00000
644 -0.0165 0.00000
645 0.0339 0.00000
646 0.0490 0.00000
647 -0.0824 0.00000
648 -0.0051 0.00000
649 -0.0094 0.00000
650 -0.0027 0.00000
651 0.0362 0.00000
652 -0.0051 0.00000
653 -0.0323 0.00000
654 0.0155 0.00000
655 0.0016 0.00000
656 -0.0182 0.00000
657 -0.0328 0.00000
658 0.0041 0.00000
659 -0.0028 0.00000
660 -0.0050 0.00000
661 0.0466 0.00000
662 0.0480 0.00000
663 0.0655 0.00000
664 0.0820 0.00000
665 -0.0030 0.00000
666 -0.0584 0.00000
667 0.0594 0.00000
668 0.0084 0.00000
669 -0.0053 0.00000
670 0.0698 0.00000
671 0.0382 0.00000
672 -0.0795 0.00000
673 -0.0182 0.00000
674 0.0348 0.00000
675 -0.0215 0.00000
676 -0.0038 0.00000
677 -0.0572 0.00000
678 0.0438 0.00000
679 -0.0754 0.00000
680 -0.0023 0.00000
681 0.0370 0.00000
682 0.0075 0.00000
683 -0.0356 0.00000
684 0.0418 0.00000
685 0.0115 0.00000
686 -0.0477 0.00000
687 0.0576 0.00000
688 0.0680 0.00000
689 -0.0478 0.00000
690 -0.0147 0.00000
691 -0.0078 0.00000
692 -0.0826 0.00000
693 0.0478 0.00000
694 0.0470 0.00000
695 -0.0108 0.00000
696 0.0187 0.00000
697 0.0624 0.00000
698 -0.0374 0.00000
699 -0.0211 0.00000
700 0.0168 0.00000
701 -0.0237 0.00000
702 -0.0427 0.00000
703 0.0968 0.00000
704 -0.0041 0.00000
705 -0.0183 0.00000
706 0.0247 0.00000
707 -0.0052 0.00000
708 -0.0224 0.00000
709 -0.0080 0.00000
710 -0.0034 0.00000
711 0.0003 0.00000
712 0.0600 0.00000
713 -0.0298 0.00000
714 0.0249 0.00000
715 0.0681 0.00000
716 0.0256 0.00000
717 0.0333 0.00000
718 0.0030 0.00000
719 -0.0218 0.00000
720 0.0661 0.00000
721 -0.0392 0.00000
722 -0.0066 0.00000
723 -0.0128 0.00000
724 0.0176 0.00000
725 0.0253 0.00000
726 0.0521 0.00000
727 -0.0728 0.00000
728 -0.0722 0.00000
729 -0.0048 0.00000
730 -0.0048 0.00000
731 -0.0255 0.00000
732 0.0259 0.00000
733 0.0241 0.00000
734 -0.0338 0.00000
735 -0.0178 0.00000
736 0.0185 0.00000
737 0.0067 0.00000
738 0.0210 0.00000
739 -0.0013 0.00000
740 0.0039 0.00000
741 -0.0609 0.00000
742 -0.0001 0.00000
743 0.0574 0.00000
744 0.0824 0.00000
745 -0.0183 0.00000
746 -0.0029 0.00000
747 0.0282 0.00000
748 0.0273 0.00000
749 -0.0339 0.00000
750 0.0040 0.00000
751 -0.0201 0.00000
752 -0.0366 0.00000
753 0.0118 0.00000
754 -0.0026 0.00000
755 0.0228 0.00000
756 0.0017 0.00000
757 -0.0396 0.00000
758 0.0555 0.00000
759 0.0585 0.00000
760 0.0455 0.00000
761 -0.0295 0.00000
762 -0.0539 0.00000
763 -0.0195 0.00000
764 0.0373 0.00000
765 0.0341 0.00000
766 -0.0490 0.00000
767 0.0009 0.00000
768 0.0150 0.00000
769 0.0055 0.00000
770 -0.0344 0.00000
771 0.0008 0.00000
772 0.0355 0.00000
773 -0.0113 0.00000
774 0.0184 0.00000
775 0.0019 0.00000
776 0.0538 0.00000
777 -0.0227 0.00000
778 0.0023 0.00000
779 0.0164 0.00000
780 0.0292 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1384 0.00000
5 0.1241 0.00000
6 0.0422 0.00000
7 -0.0369 0.00000
8 0.0334 0.00000
9 0.1491 0.00000
10 0.0815 0.00000
11 -0.0719 0.00000
12 0.0629 0.00000
13 -0.2537 0.00000
14 -0.1405 0.00000
15 -0.0716 0.00000
16 0.0389 0.00000
17 -0.0033 0.00000
18 0.0315 0.00000
19 -0.0779 0.00000
20 -0.3698 0.00000
21 -0.1546 0.00000
22 -0.0645 0.00000
23 0.0996 0.00000
24 0.0626 0.00000
25 0.1457 0.00000
26 0.4932 0.00000
27 0.3663 0.00000
28 -0.0186 0.00000
29 -0.0051 0.00000
30 -0.3261 0.00000
31 0.0707 0.00000
32 0.0702 0.00000
33 0.0826 0.00000
34 0.1052 0.00000
35 0.0456 0.00000
36 0.0436 0.00000
37 0.0371 0.00000
38 0.1153 0.00000
39 0.0046 0.00000
40 0.0510 0.00000
41 0.1416 0.00000
42 -0.0043 0.00000
43 0.1026 0.00000
44 -1.3439 0.00000
45 -0.9615 0.00000
46 -0.1896 0.00000
47 0.0065 0.00000
48 0.0485 0.00000
49 0.0882 0.00000
50 0.0039 0.00000
51 0.0718 0.00000
52 0.1592 0.00000
53 0.0101 0.00000
54 0.0824 0.00000
55 0.1273 0.00000
56 0.1773 0.00000
57 -0.2651 0.00000
58 0.1400 0.00000
59 0.0671 0.00000
60 0.4990 0.00000
61 0.1635 0.00000
62 0.2834 0.00000
63 0.1297 0.00000
64 0.1315 0.00000
65 0.2191 0.00000
66 0.3676 0.00000
67 0.1108 0.00000
68 0.1162 0.00000
69 0.0579 0.00000
70 0.0618 0.00000
71 0.2580 0.00000
72 0.1219 0.00000
73 0.0536 0.00000
74 0.0461 0.00000
75 -0.0181 0.00000
76 0.0434 0.00000
77 0.0224 0.00000
78 0.0737 0.00000
79 -0.3329 0.00000
80 -0.0046 0.00000
81 -0.1032 0.00000
82 0.1267 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0039 0.00000
90 -0.3113 0.00000
91 -0.3558 0.00000
92 -0.1196 0.00000
93 0.0430 0.00000
94 0.1124 0.00000
95 0.0433 0.00000
96 0.0898 0.00000
97 -0.1798 0.00000
98 0.0423 0.00000
99 0.0320 0.00000
100 0.0826 0.00000
101 -0.0675 0.00000
102 0.1111 0.00000
103 -0.0359 0.00000
104 0.0880 0.00000
105 -0.1655 0.00000
106 0.0448 0.00000
107 0.0308 0.00000
108 0.3291 0.00000
109 0.1217 0.00000
110 0.0222 0.00000
111 0.0426 0.00000
112 0.0550 0.00000
113 0.1112 0.00000
114 0.1579 0.00000
115 -0.1514 0.00000
116 -0.0350 0.00000
117 0.1596 0.00000
118 0.0688 0.00000
119 0.0448 0.00000
120 0.1323 0.00000
121 0.1099 0.00000
122 -0.3454 0.00000
123 0.0946 0.00000
124 0.2166 0.00000
125 -0.0273 0.00000
126 -0.1271 0.00000
127 -0.0421 0.00000
128 -0.0660 0.00000
129 0.1290 0.00000
130 -0.0699 0.00000
131 0.0599 0.00000
132 -0.1212 0.00000
133 -0.0449 0.00000
134 -0.1689 0.00000
135 0.0103 0.00000
136 -0.2646 0.00000
137 -0.0212 0.00000
138 0.4046 0.00000
139 -0.0192 0.00000
140 0.0043 0.00000
141 -0.4111 0.00000
142 0.0652 0.00000
143 0.0055 0.00000
144 0.0429 0.00000
145 0.0384 0.00000
146 0.0555 0.00000
147 0.0093 0.00000
148 -0.0312 0.00000
149 0.1511 0.00000
150 -0.0273 0.00000
151 0.0701 0.00000
152 -0.0099 0.00000
153 0.0612 0.00000
154 0.1897 0.00000
155 0.1229 0.00000
156 0.0096 0.00000
157 0.5309 0.00000
158 0.0645 0.00000
159 0.0377 0.00000
160 0.1252 0.00000
161 0.1114 0.00000
162 0.0553 0.00000
163 -0.0614 0.00000
164 0.0683 0.00000
165 -0.1717 0.00000
166 0.2550 0.00000
167 0.0292 0.00000
168 -0.5640 0.00000
169 -0.0580 0.00000
170 -0.1151 0.00000
171 0.0759 0.00000
172 -0.0141 0.00000
173 0.0536 0.00000
174 0.0145 0.00000
175 0.0215 0.00000
176 -0.1531 0.00000
177 -0.0325 0.00000
178 -0.0710 0.00000
179 0.0296 0.00000
180 -0.3149 0.00000
181 -0.0081 0.00000
182 0.0301 0.00000
183 0.0203 0.00000
184 -0.3018 0.00000
185 -0.3998 0.00000
186 0.0102 0.00000
187 0.0512 0.00000
188 -0.0048 0.00000
189 -0.0513 0.00000
190 0.0550 0.00000
191 0.0062 0.00000
192 0.0199 0.00000
193 -0.0202 0.00000
194 0.1378 0.00000
195 0.1829 0.00000
196 0.0974 0.00000
197 0.2505 0.00000
198 0.3097 0.00000
199 -0.0433 0.00000
200 0.0224 0.00000
201 0.1204 0.00000
202 -0.0436 0.00000
203 0.0212 0.00000
204 0.0802 0.00000
205 0.3207 0.00000
206 0.1493 0.00000
207 0.0726 0.00000
208 -0.0032 0.00000
209 0.0665 0.00000
210 0.0440 0.00000
211 0.0022 0.00000
212 0.0441 0.00000
213 -0.0180 0.00000
214 0.0638 0.00000
215 0.0473 0.00000
216 -0.1683 0.00000
217 -0.0374 0.00000
218 0.0921 0.00000
219 0.0191 0.00000
220 0.0202 0.00000
221 0.0220 0.00000
222 0.0435 0.00000
223 0.0422 0.00000
224 0.0954 0.00000
225 0.1856 0.00000
226 0.1989 0.00000
227 -0.1369 0.00000
228 0.0172 0.00000
229 0.1332 0.00000
230 0.0686 0.00000
231 -0.0852 0.00000
232 -0.2139 0.00000
233 -0.2880 0.00000
234 -0.3567 0.00000
235 -0.0421 0.00000
236 -0.0285 0.00000
237 -0.0056 0.00000
238 -0.1249 0.00000
239 -0.0326 0.00000
240 -0.3583 0.00000
241 -0.0158 0.00000
242 -0.0314 0.00000
243 -0.3056 0.00000
244 0.0002 0.00000
245 0.0726 0.00000
246 -0.0913 0.00000
247 -0.0337 0.00000
248 -0.0781 0.00000
249 -0.1423 0.00000
250 -0.0123 0.00000
251 -0.1700 0.00000
252 0.0215 0.00000
253 0.3322 0.00000
254 0.0303 0.00000
255 0.0067 0.00000
256 0.1225 0.00000
257 0.0227 0.00000
258 0.0554 0.00000
259 0.0476 0.00000
260 0.0253 0.00000
261 0.1665 0.00000
262 -0.0056 0.00000
263 0.0260 0.00000
264 0.0415 0.00000
265 -0.0544 0.00000
266 -0.0743 0.00000
267 0.0488 0.00000
268 0.0776 0.00000
269 -0.0400 0.00000
270 -0.0304 0.00000
271 -0.0053 0.00000
272 -0.0120 0.00000
273 0.0001 0.00000
274 -0.0684 0.00000
275 0.0089 0.00000
276 -0.0797 0.00000
277 -0.3237 0.00000
278 -0.0995 0.00000
279 0.1023 0.00000
280 -0.0995 0.00000
281 -0.0580 0.00000
282 -0.1141 0.00000
283 0.0487 0.00000
284 0.1063 0.00000
285 -0.0030 0.00000
286 0.0714 0.00000
287 0.0058 0.00000
288 0.0142 0.00000
289 0.0806 0.00000
290 0.0355 0.00000
291 0.0353 0.00000
292 -0.1464 0.00000
293 0.0432 0.00000
294 0.0942 0.00000
295 0.0380 0.00000
296 0.0332 0.00000
297 0.1369 0.00000
298 -0.0600 0.00000
299 0.0246 0.00000
300 0.0016 0.00000
301 0.0307 0.00000
302 0.2053 0.00000
303 -0.0059 0.00000
304 0.0155 0.00000
305 0.0907 0.00000
306 0.1302 0.00000
307 0.0263 0.00000
308 -0.0032 0.00000
309 0.1004 0.00000
310 -0.0299 0.00000
311 -0.1099 0.00000
312 -0.0465 0.00000
313 0.0531 0.00000
314 -0.0161 0.00000
315 0.0514 0.00000
316 0.0213 0.00000
317 0.0832 0.00000
318 0.0467 0.00000
319 -0.0100 0.00000
320 -0.0353 0.00000
321 -0.2324 0.00000
322 0.0278 0.00000
323 0.0137 0.00000
324 -0.0502 0.00000
325 0.0652 0.00000
326 -0.0086 0.00000
327 0.0182 0.00000
328 -0.0059 0.00000
329 0.0590 0.00000
330 -0.0007 0.00000
331 -0.0246 0.00000
332 -0.0170 0.00000
333 -0.0295 0.00000
334 -0.1153 0.00000
335 0.0239 0.00000
336 0.0450 0.00000
337 -0.0122 0.00000
338 -0.1361 0.00000
339 -0.0568 0.00000
340 0.0197 0.00000
341 0.0874 0.00000
342 0.0083 0.00000
343 -0.0281 0.00000
344 0.0147 0.00000
345 0.0597 0.00000
346 0.0067 0.00000
347 -0.0101 0.00000
348 0.0633 0.00000
349 0.0289 0.00000
350 0.0005 0.00000
351 -0.0155 0.00000
352 0.0385 0.00000
353 0.0285 0.00000
354 0.1332 0.00000
355 0.0341 0.00000
356 -0.0166 0.00000
357 0.0454 0.00000
358 -0.0317 0.00000
359 0.0461 0.00000
360 0.0443 0.00000
361 0.0120 0.00000
362 -0.0085 0.00000
363 0.0509 0.00000
364 -0.0016 0.00000
365 -0.0632 0.00000
366 -0.0427 0.00000
367 0.0330 0.00000
368 -0.0065 0.00000
369 0.0576 0.00000
370 0.0180 0.00000
371 -0.0172 0.00000
372 -0.0848 0.00000
373 0.0931 0.00000
374 -0.0196 0.00000
375 -0.0268 0.00000
376 -0.0701 0.00000
377 0.0376 0.00000
378 0.1419 0.00000
379 -0.0081 0.00000
380 -0.0329 0.00000
381 0.0504 0.00000
382 -0.2690 0.00000
383 0.0638 0.00000
384 0.1114 0.00000
385 -0.1309 0.00000
386 0.0082 0.00000
387 0.0578 0.00000
388 0.0491 0.00000
389 0.0543 0.00000
390 0.0699 0.00000
391 0.0447 0.00000
392 -0.0805 0.00000
393 0.0375 0.00000
394 0.0499 0.00000
395 0.0271 0.00000
396 0.0095 0.00000
397 0.0222 0.00000
398 -0.0764 0.00000
399 0.0082 0.00000
400 -0.0763 0.00000
401 0.0063 0.00000
402 0.0710 0.00000
403 -0.0113 0.00000
404 0.0729 0.00000
405 0.0024 0.00000
406 0.0308 0.00000
407 0.0226 0.00000
408 0.0864 0.00000
409 0.1262 0.00000
410 -0.0537 0.00000
411 0.0468 0.00000
412 0.0463 0.00000
413 -0.0002 0.00000
414 0.0504 0.00000
415 0.0830 0.00000
416 0.0153 0.00000
417 0.0626 0.00000
418 0.0001 0.00000
419 -0.0233 0.00000
420 0.0159 0.00000
421 0.0241 0.00000
422 -0.0774 0.00000
423 -0.0305 0.00000
424 -0.1393 0.00000
425 -0.1673 0.00000
426 -0.0870 0.00000
427 0.0305 0.00000
428 -0.0448 0.00000
429 0.0824 0.00000
430 0.0601 0.00000
431 0.0432 0.00000
432 0.0298 0.00000
433 0.0295 0.00000
434 -0.1217 0.00000
435 0.0126 0.00000
436 0.0067 0.00000
437 0.0086 0.00000
438 0.0604 0.00000
439 -0.0029 0.00000
440 -0.2192 0.00000
441 0.0145 0.00000
442 -0.0323 0.00000
443 0.0044 0.00000
444 0.1165 0.00000
445 0.1861 0.00000
446 -0.1001 0.00000
447 -0.0454 0.00000
448 0.0210 0.00000
449 -0.0292 0.00000
450 0.0415 0.00000
451 0.0424 0.00000
452 -0.3068 0.00000
453 0.0144 0.00000
454 0.0533 0.00000
455 0.0007 0.00000
456 -0.0268 0.00000
457 -0.0560 0.00000
458 0.0128 0.00000
459 0.0745 0.00000
460 0.0873 0.00000
461 0.0354 0.00000
462 0.0039 0.00000
463 0.0470 0.00000
464 0.0437 0.00000
465 0.0558 0.00000
466 0.0135 0.00000
467 0.1261 0.00000
468 0.0465 0.00000
469 0.0574 0.00000
470 0.0902 0.00000
471 -0.0009 0.00000
472 -0.0278 0.00000
473 -0.1682 0.00000
474 -0.0285 0.00000
475 0.0890 0.00000
476 -0.0004 0.00000
477 0.2305 0.00000
478 -0.0913 0.00000
479 0.1484 0.00000
480 0.0004 0.00000
481 0.1693 0.00000
482 -0.2339 0.00000
483 0.1274 0.00000
484 -0.0317 0.00000
485 0.1084 0.00000
486 0.0467 0.00000
487 0.0169 0.00000
488 -0.0088 0.00000
489 -0.0323 0.00000
490 0.0554 0.00000
491 0.0376 0.00000
492 0.0604 0.00000
493 0.1238 0.00000
494 -0.0668 0.00000
495 0.1542 0.00000
496 0.0187 0.00000
497 0.0370 0.00000
498 0.0480 0.00000
499 0.0200 0.00000
500 0.0055 0.00000
501 0.0448 0.00000
502 0.1240 0.00000
503 -0.0604 0.00000
504 0.0559 0.00000
505 -0.0004 0.00000
506 -0.0730 0.00000
507 0.0844 0.00000
508 -0.0034 0.00000
509 0.0234 0.00000
510 0.0710 0.00000
511 -0.0126 0.00000
512 -0.0365 0.00000
513 0.1412 0.00000
514 0.0707 0.00000
515 0.0227 0.00000
516 0.0560 0.00000
517 0.1245 0.00000
518 0.0371 0.00000
519 0.1350 0.00000
520 -0.0438 0.00000
521 -0.0672 0.00000
522 -0.1677 0.00000
523 0.0725 0.00000
524 0.0647 0.00000
525 0.1116 0.00000
526 -0.0165 0.00000
527 -0.0032 0.00000
528 0.0733 0.00000
529 0.0907 0.00000
530 0.1271 0.00000
531 -0.0568 0.00000
532 0.0313 0.00000
533 0.0285 0.00000
534 -0.0100 0.00000
535 0.0355 0.00000
536 0.0416 0.00000
537 0.0238 0.00000
538 0.0107 0.00000
539 -0.0350 0.00000
540 -0.0137 0.00000
541 0.0872 0.00000
542 0.0934 0.00000
543 0.0451 0.00000
544 0.0303 0.00000
545 0.1952 0.00000
546 0.0516 0.00000
547 -0.0066 0.00000
548 -0.0086 0.00000
549 -0.0414 0.00000
550 0.0393 0.00000
551 0.0791 0.00000
552 -0.2115 0.00000
553 0.0019 0.00000
554 -0.0836 0.00000
555 -0.0099 0.00000
556 0.1345 0.00000
557 -0.0022 0.00000
558 -0.0386 0.00000
559 -0.0914 0.00000
560 0.1898 0.00000
561 -0.1324 0.00000
562 -0.0409 0.00000
563 0.0604 0.00000
564 0.0305 0.00000
565 -0.0478 0.00000
566 0.0161 0.00000
567 -0.1131 0.00000
568 -0.2374 0.00000
569 -0.1374 0.00000
570 -0.0102 0.00000
571 -0.1119 0.00000
572 -0.1744 0.00000
573 0.1025 0.00000
574 -0.0054 0.00000
575 0.0139 0.00000
576 0.0283 0.00000
577 -0.2112 0.00000
578 0.0145 0.00000
579 -0.0265 0.00000
580 0.0596 0.00000
581 -0.0866 0.00000
582 0.0871 0.00000
583 -0.0430 0.00000
584 0.1957 0.00000
585 0.1061 0.00000
586 0.1353 0.00000
587 0.0670 0.00000
588 0.0883 0.00000
589 -0.1290 0.00000
590 0.0626 0.00000
591 0.0075 0.00000
592 0.0122 0.00000
593 -0.0836 0.00000
594 -0.0489 0.00000
595 -0.0466 0.00000
596 -0.0689 0.00000
597 -0.0684 0.00000
598 0.0092 0.00000
599 0.0404 0.00000
600 0.0311 0.00000
601 0.0320 0.00000
602 0.0042 0.00000
603 -0.0113 0.00000
604 -0.0194 0.00000
605 0.0374 0.00000
606 -0.0412 0.00000
607 -0.0517 0.00000
608 0.0069 0.00000
609 0.0271 0.00000
610 -0.1397 0.00000
611 -0.0540 0.00000
612 0.0383 0.00000
613 0.0714 0.00000
614 0.1082 0.00000
615 -0.0218 0.00000
616 -0.0354 0.00000
617 -0.0426 0.00000
618 -0.0364 0.00000
619 -0.0241 0.00000
620 0.0598 0.00000
621 0.0139 0.00000
622 -0.0381 0.00000
623 0.0281 0.00000
624 -0.0730 0.00000
625 -0.0372 0.00000
626 -0.0762 0.00000
627 -0.0150 0.00000
628 0.0610 0.00000
629 -0.0223 0.00000
630 -0.1020 0.00000
631 0.0026 0.00000
632 -0.0202 0.00000
633 -0.1057 0.00000
634 0.0077 0.00000
635 -0.0159 0.00000
636 -0.0369 0.00000
637 -0.0087 0.00000
638 0.0302 0.00000
639 0.0032 0.00000
640 0.0641 0.00000
641 -0.0212 0.00000
642 -0.0099 0.00000
643 -0.0149 0.00000
644 -0.0114 0.00000
645 0.0139 0.00000
646 0.0248 0.00000
647 -0.0108 0.00000
648 -0.0073 0.00000
649 0.0497 0.00000
650 -0.0511 0.00000
651 0.0728 0.00000
652 -0.0427 0.00000
653 -0.0123 0.00000
654 0.0143 0.00000
655 0.0315 0.00000
656 0.0093 0.00000
657 -0.0041 0.00000
658 -0.0109 0.00000
659 -0.0504 0.00000
660 0.0088 0.00000
661 0.1161 0.00000
662 -0.0118 0.00000
663 0.0021 0.00000
664 -0.0263 0.00000
665 0.0276 0.00000
666 -0.0130 0.00000
667 0.0084 0.00000
668 0.0145 0.00000
669 -0.0320 0.00000
670 -0.0236 0.00000
671 -0.0270 0.00000
672 -0.0006 0.00000
673 0.0456 0.00000
674 0.1169 0.00000
675 -0.0205 0.00000
676 0.0401 0.00000
677 -0.1007 0.00000
678 0.0109 0.00000
679 0.0360 0.00000
680 -0.0093 0.00000
681 -0.0026 0.00000
682 -0.0149 0.00000
683 -0.0083 0.00000
684 0.0080 0.00000
685 0.0531 0.00000
686 0.0770 0.00000
687 0.0033 0.00000
688 0.0199 0.00000
689 0.0608 0.00000
690 -0.0097 0.00000
691 0.0175 0.00000
692 0.0064 0.00000
693 -0.0278 0.00000
694 0.0379 0.00000
695 -0.0208 0.00000
696 0.0432 0.00000
697 -0.0087 0.00000
698 0.0770 0.00000
699 -0.0710 0.00000
700 0.0068 0.00000
701 0.0166 0.00000
702 -0.0191 0.00000
703 -0.0061 0.00000
704 -0.0108 0.00000
705 -0.0708 0.00000
706 -0.0233 0.00000
707 -0.0191 0.00000
708 0.0060 0.00000
709 0.0065 0.00000
710 -0.0585 0.00000
711 0.0318 0.00000
712 0.0109 0.00000
713 0.0089 0.00000
714 0.0098 0.00000
715 0.0041 0.00000
716 0.0706 0.00000
717 -0.0036 0.00000
718 -0.0021 0.00000
719 0.0481 0.00000
720 -0.0018 0.00000
721 -0.0181 0.00000
722 -0.0237 0.00000
723 0.0714 0.00000
724 -0.1407 0.00000
725 -0.0099 0.00000
726 -0.0073 0.00000
727 0.0041 0.00000
728 0.0286 0.00000
729 0.0019 0.00000
730 0.0647 0.00000
731 -0.0004 0.00000
732 0.0038 0.00000
733 0.0007 0.00000
734 0.0226 0.00000
735 0.0107 0.00000
736 0.0298 0.00000
737 0.0262 0.00000
738 0.0160 0.00000
739 -0.0133 0.00000
740 -0.0787 0.00000
741 0.0693 0.00000
742 -0.0287 0.00000
743 -0.0352 0.00000
744 -0.0127 0.00000
745 -0.0164 0.00000
746 -0.0609 0.00000
747 -0.0073 0.00000
748 -0.0191 0.00000
749 0.0239 0.00000
750 -0.0003 0.00000
751 -0.0120 0.00000
752 0.0054 0.00000
753 0.0153 0.00000
754 0.0017 0.00000
755 0.0390 0.00000
756 0.0334 0.00000
757 0.0451 0.00000
758 -0.0380 0.00000
759 -0.0148 0.00000
760 0.0495 0.00000
761 0.0268 0.00000
762 -0.0279 0.00000
763 0.0591 0.00000
764 0.0372 0.00000
765 0.0109 0.00000
766 -0.0038 0.00000
767 -0.0000 0.00000
768 0.0556 0.00000
769 -0.0202 0.00000
770 0.0290 0.00000
771 -0.0496 0.00000
772 0.0101 0.00000
773 -0.0045 0.00000
774 0.0374 0.00000
775 0.0133 0.00000
776 0.0151 0.00000
777 0.0148 0.00000
778 -0.0163 0.00000
779 0.0122 0.00000
780 0.0109 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1431 0.00000
5 0.1290 0.00000
6 0.0415 0.00000
7 -0.0364 0.00000
8 0.0330 0.00000
9 0.1494 0.00000
10 0.0823 0.00000
11 -0.0718 0.00000
12 0.0614 0.00000
13 -0.2533 0.00000
14 -0.1414 0.00000
15 -0.0716 0.00000
16 0.0519 0.00000
17 -0.1615 0.00000
18 0.1572 0.00000
19 -0.1222 0.00000
20 -0.3034 0.00000
21 -0.1545 0.00000
22 -0.0585 0.00000
23 0.0926 0.00000
24 0.0682 0.00000
25 0.1575 0.00000
26 0.3505 0.00000
27 0.4826 0.00000
28 0.0064 0.00000
29 -0.0393 0.00000
30 -0.2990 0.00000
31 0.0651 0.00000
32 0.0665 0.00000
33 0.0893 0.00000
34 0.0851 0.00000
35 0.0562 0.00000
36 0.0574 0.00000
37 0.0214 0.00000
38 0.1124 0.00000
39 0.0523 0.00000
40 0.0016 0.00000
41 0.1434 0.00000
42 -0.0131 0.00000
43 0.1051 0.00000
44 -2.1536 0.00000
45 -0.0792 0.00000
46 -0.1527 0.00000
47 -0.0985 0.00000
48 0.0639 0.00000
49 -0.0026 0.00000
50 0.1183 0.00000
51 0.1146 0.00000
52 0.0860 0.00000
53 0.0069 0.00000
54 0.0630 0.00000
55 0.1317 0.00000
56 0.1691 0.00000
57 -0.2549 0.00000
58 0.1198 0.00000
59 0.5033 0.00000
60 0.0326 0.00000
61 0.2085 0.00000
62 0.3551 0.00000
63 0.0933 0.00000
64 0.0995 0.00000
65 0.1998 0.00000
66 0.3980 0.00000
67 0.1713 0.00000
68 0.0660 0.00000
69 0.0554 0.00000
70 0.0607 0.00000
71 0.2604 0.00000
72 0.1223 0.00000
73 0.0535 0.00000
74 0.0454 0.00000
75 -0.0606 0.00000
76 0.0925 0.00000
77 0.0138 0.00000
78 -0.4175 0.00000
79 0.1599 0.00000
80 -0.0041 0.00000
81 -0.1042 0.00000
82 0.1267 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0066 0.00000
90 -0.3200 0.00000
91 -0.2725 0.00000
92 -0.1862 0.00000
93 0.0423 0.00000
94 0.1155 0.00000
95 0.0044 0.00000
96 0.0897 0.00000
97 -0.1062 0.00000
98 -0.0119 0.00000
99 0.0433 0.00000
100 -0.0171 0.00000
101 0.0104 0.00000
102 0.1010 0.00000
103 -0.0532 0.00000
104 0.1282 0.00000
105 -0.1340 0.00000
106 0.0098 0.00000
107 0.1502 0.00000
108 0.0221 0.00000
109 0.4172 0.00000
110 0.0143 0.00000
111 0.0517 0.00000
112 0.0568 0.00000
113 -0.0374 0.00000
114 -0.2311 0.00000
115 0.2596 0.00000
116 -0.0381 0.00000
117 0.1983 0.00000
118 0.0768 0.00000
119 0.1095 0.00000
120 0.0470 0.00000
121 0.1344 0.00000
122 -0.3701 0.00000
123 0.1301 0.00000
124 0.1905 0.00000
125 -0.0292 0.00000
126 -0.1296 0.00000
127 -0.0666 0.00000
128 -0.0265 0.00000
129 0.1641 0.00000
130 -0.1083 0.00000
131 -0.0134 0.00000
132 -0.0791 0.00000
133 -0.0161 0.00000
134 -0.1838 0.00000
135 0.0104 0.00000
136 -0.3165 0.00000
137 0.0010 0.00000
138 0.4193 0.00000
139 -0.0176 0.00000
140 0.0158 0.00000
141 -0.4014 0.00000
142 0.0643 0.00000
143 0.0042 0.00000
144 0.0384 0.00000
145 0.0388 0.00000
146 0.0547 0.00000
147 0.0102 0.00000
148 -0.0207 0.00000
149 0.1253 0.00000
150 -0.0259 0.00000
151 0.0622 0.00000
152 0.1383 0.00000
153 0.0010 0.00000
154 0.1761 0.00000
155 0.1032 0.00000
156 0.0215 0.00000
157 0.0506 0.00000
158 0.3776 0.00000
159 0.2879 0.00000
160 0.0485 0.00000
161 -0.0070 0.00000
162 0.0485 0.00000
163 -0.0624 0.00000
164 -0.0460 0.00000
165 0.1661 0.00000
166 -0.0785 0.00000
167 -0.1947 0.00000
168 0.0906 0.00000
169 0.0150 0.00000
170 -0.0547 0.00000
171 0.0781 0.00000
172 -0.0137 0.00000
173 -0.2733 0.00000
174 -0.0264 0.00000
175 -0.1646 0.00000
176 -0.1286 0.00000
177 0.0454 0.00000
178 -0.0912 0.00000
179 -0.0680 0.00000
180 0.0157 0.00000
181 0.0753 0.00000
182 0.0278 0.00000
183 -0.0950 0.00000
184 -0.4419 0.00000
185 -0.3725 0.00000
186 -0.1159 0.00000
187 -0.0445 0.00000
188 0.0443 0.00000
189 -0.0326 0.00000
190 -0.0287 0.00000
191 0.0685 0.00000
192 0.0864 0.00000
193 0.0634 0.00000
194 0.1841 0.00000
195 0.2222 0.00000
196 0.1081 0.00000
197 0.0499 0.00000
198 0.4856 0.00000
199 -0.0317 0.00000
200 0.0938 0.00000
201 0.0054 0.00000
202 0.2956 0.00000
203 -0.0489 0.00000
204 0.1405 0.00000
205 -0.0260 0.00000
206 0.0770 0.00000
207 0.1256 0.00000
208 0.0017 0.00000
209 0.0583 0.00000
210 0.0675 0.00000
211 -0.0488 0.00000
212 0.0403 0.00000
213 0.0270 0.00000
214 0.0666 0.00000
215 0.0458 0.00000
216 -0.2458 0.00000
217 0.0270 0.00000
218 0.0772 0.00000
219 0.0469 0.00000
220 0.0378 0.00000
221 0.0228 0.00000
222 0.0337 0.00000
223 0.0388 0.00000
224 0.0758 0.00000
225 0.2056 0.00000
226 0.1968 0.00000
227 -0.1324 0.00000
228 0.0190 0.00000
229 0.1330 0.00000
230 0.0697 0.00000
231 -0.0834 0.00000
232 -0.2557 0.00000
233 -0.2487 0.00000
234 -0.3488 0.00000
235 -0.0540 0.00000
236 -0.0612 0.00000
237 -0.1344 0.00000
238 0.0486 0.00000
239 -0.0319 0.00000
240 -0.1692 0.00000
241 -0.1814 0.00000
242 -0.1738 0.00000
243 -0.1459 0.00000
244 -0.0694 0.00000
245 0.0559 0.00000
246 -0.0299 0.00000
247 -0.0447 0.00000
248 -0.0934 0.00000
249 -0.1231 0.00000
250 0.0397 0.00000
251 -0.1172 0.00000
252 0.1250 0.00000
253 -0.0510 0.00000
254 0.0603 0.00000
255 -0.0313 0.00000
256 0.1042 0.00000
257 0.1700 0.00000
258 0.0880 0.00000
259 0.0950 0.00000
260 0.1629 0.00000
261 -0.0012 0.00000
262 -0.0007 0.00000
263 0.0842 0.00000
264 -0.0157 0.00000
265 -0.0394 0.00000
266 -0.0366 0.00000
267 0.0037 0.00000
268 0.0012 0.00000
269 -0.0426 0.00000
270 0.0124 0.00000
271 0.0361 0.00000
272 0.0734 0.00000
273 -0.0417 0.00000
274 -0.1349 0.00000
275 -0.1308 0.00000
276 0.0188 0.00000
277 -0.0659 0.00000
278 -0.2039 0.00000
279 -0.1747 0.00000
280 -0.0347 0.00000
281 0.0139 0.00000
282 -0.0505 0.00000
283 -0.0325 0.00000
284 0.0604 0.00000
285 0.0146 0.00000
286 0.0218 0.00000
287 0.0224 0.00000
288 0.0291 0.00000
289 0.1542 0.00000
290 -0.0033 0.00000
291 -0.0357 0.00000
292 0.0030 0.00000
293 0.0415 0.00000
294 0.0223 0.00000
295 0.1113 0.00000
296 -0.0695 0.00000
297 0.0936 0.00000
298 0.1356 0.00000
299 0.0237 0.00000
300 0.1634 0.00000
301 0.0518 0.00000
302 0.0753 0.00000
303 -0.0703 0.00000
304 -0.0270 0.00000
305 0.1405 0.00000
306 -0.0585 0.00000
307 0.1155 0.00000
308 0.1093 0.00000
309 0.0747 0.00000
310 -0.0597 0.00000
311 -0.0161 0.00000
312 -0.0256 0.00000
313 0.0279 0.00000
314 -0.0467 0.00000
315 0.0854 0.00000
316 -0.0987 0.00000
317 -0.0038 0.00000
318 0.0006 0.00000
319 -0.0810 0.00000
320 0.0352 0.00000
321 -0.0251 0.00000
322 0.1200 0.00000
323 -0.0553 0.00000
324 -0.0321 0.00000
325 -0.0765 0.00000
326 0.0002 0.00000
327 0.0133 0.00000
328 -0.0322 0.00000
329 0.1514 0.00000
330 -0.1024 0.00000
331 -0.0228 0.00000
332 -0.0471 0.00000
333 0.0254 0.00000
334 -0.1528 0.00000
335 0.0604 0.00000
336 -0.0474 0.00000
337 0.0258 0.00000
338 0.0807 0.00000
339 -0.0609 0.00000
340 0.0173 0.00000
341 0.0283 0.00000
342 -0.0083 0.00000
343 0.0227 0.00000
344 -0.0701 0.00000
345 0.0657 0.00000
346 -0.0007 0.00000
347 -0.0202 0.00000
348 -0.0461 0.00000
349 0.0390 0.00000
350 0.0352 0.00000
351 0.0353 0.00000
352 -0.0002 0.00000
353 0.0510 0.00000
354 0.0175 0.00000
355 0.0691 0.00000
356 -0.0008 0.00000
357 0.0927 0.00000
358 0.0370 0.00000
359 0.0121 0.00000
360 0.0378 0.00000
361 0.0283 0.00000
362 -0.0015 0.00000
363 -0.0283 0.00000
364 -0.0167 0.00000
365 0.0101 0.00000
366 0.0654 0.00000
367 -0.0680 0.00000
368 -0.0113 0.00000
369 0.0397 0.00000
370 0.0186 0.00000
371 0.0847 0.00000
372 0.0024 0.00000
373 0.0765 0.00000
374 -0.0781 0.00000
375 0.0882 0.00000
376 0.0015 0.00000
377 -0.0933 0.00000
378 -0.0284 0.00000
379 0.0017 0.00000
380 0.0345 0.00000
381 0.0603 0.00000
382 -0.3414 0.00000
383 -0.0483 0.00000
384 0.1135 0.00000
385 -0.0046 0.00000
386 0.0830 0.00000
387 0.0441 0.00000
388 -0.1646 0.00000
389 0.0391 0.00000
390 0.0080 0.00000
391 0.0160 0.00000
392 -0.0180 0.00000
393 0.0598 0.00000
394 0.0484 0.00000
395 0.1274 0.00000
396 -0.0010 0.00000
397 0.1310 0.00000
398 -0.0176 0.00000
399 0.0163 0.00000
400 -0.0151 0.00000
401 0.0183 0.00000
402 -0.0274 0.00000
403 0.0439 0.00000
404 0.0598 0.00000
405 0.0669 0.00000
406 0.0497 0.00000
407 -0.0106 0.00000
408 -0.0089 0.00000
409 0.0283 0.00000
410 0.0059 0.00000
411 0.1113 0.00000
412 -0.1815 0.00000
413 0.0285 0.00000
414 -0.0086 0.00000
415 -0.0667 0.00000
416 -0.1178 0.00000
417 0.1302 0.00000
418 0.0772 0.00000
419 0.0146 0.00000
420 -0.0199 0.00000
421 0.1200 0.00000
422 -0.0209 0.00000
423 -0.0013 0.00000
424 0.0199 0.00000
425 -0.0014 0.00000
426 -0.0411 0.00000
427 0.0048 0.00000
428 -0.0482 0.00000
429 -0.0360 0.00000
430 -0.0225 0.00000
431 0.0469 0.00000
432 0.0501 0.00000
433 0.1051 0.00000
434 0.0403 0.00000
435 -0.0317 0.00000
436 0.0649 0.00000
437 -0.0732 0.00000
438 -0.0895 0.00000
439 0.0477 0.00000
440 0.0769 0.00000
441 -0.0444 0.00000
442 0.0221 0.00000
443 -0.0975 0.00000
444 -0.0043 0.00000
445 -0.0063 0.00000
446 -0.0611 0.00000
447 0.0743 0.00000
448 0.0580 0.00000
449 -0.0469 0.00000
450 -0.1814 0.00000
451 0.0114 0.00000
452 0.0466 0.00000
453 -0.1760 0.00000
454 0.0588 0.00000
455 -0.0295 0.00000
456 0.0147 0.00000
457 -0.0669 0.00000
458 -0.2312 0.00000
459 0.0744 0.00000
460 0.0876 0.00000
461 0.0772 0.00000
462 -0.0131 0.00000
463 0.1084 0.00000
464 0.0195 0.00000
465 -0.0175 0.00000
466 0.0205 0.00000
467 0.1005 0.00000
468 0.1482 0.00000
469 0.0458 0.00000
470 -0.0053 0.00000
471 0.0906 0.00000
472 -0.0232 0.00000
473 0.0223 0.00000
474 0.1101 0.00000
475 0.0959 0.00000
476 -0.0869 0.00000
477 0.1097 0.00000
478 -0.0423 0.00000
479 -0.0522 0.00000
480 0.0369 0.00000
481 0.0840 0.00000
482 0.0424 0.00000
483 -0.1657 0.00000
484 0.0171 0.00000
485 0.1062 0.00000
486 0.1922 0.00000
487 -0.0247 0.00000
488 0.0576 0.00000
489 0.0389 0.00000
490 0.0119 0.00000
491 0.0051 0.00000
492 0.0276 0.00000
493 0.0193 0.00000
494 0.0785 0.00000
495 0.2842 0.00000
496 0.0469 0.00000
497 0.0271 0.00000
498 0.0679 0.00000
499 -0.0321 0.00000
500 0.0137 0.00000
501 0.0022 0.00000
502 -0.0603 0.00000
503 0.1040 0.00000
504 -0.0783 0.00000
505 0.0228 0.00000
506 -0.0106 0.00000
507 0.0142 0.00000
508 0.0442 0.00000
509 0.0453 0.00000
510 -0.0251 0.00000
511 0.0066 0.00000
512 -0.0446 0.00000
513 0.0810 0.00000
514 -0.0472 0.00000
515 -0.0479 0.00000
516 0.0139 0.00000
517 0.0795 0.00000
518 0.1743 0.00000
519 0.0067 0.00000
520 0.1052 0.00000
521 0.0378 0.00000
522 0.0634 0.00000
523 0.0247 0.00000
524 0.0780 0.00000
525 0.0124 0.00000
526 0.0302 0.00000
527 -0.0217 0.00000
528 0.1110 0.00000
529 0.0459 0.00000
530 -0.0698 0.00000
531 0.1916 0.00000
532 0.0975 0.00000
533 0.0944 0.00000
534 0.0302 0.00000
535 -0.0805 0.00000
536 0.0229 0.00000
537 0.1112 0.00000
538 0.0860 0.00000
539 -0.0777 0.00000
540 -0.0301 0.00000
541 0.0889 0.00000
542 0.0554 0.00000
543 0.0156 0.00000
544 0.0772 0.00000
545 -0.0714 0.00000
546 0.0673 0.00000
547 0.0252 0.00000
548 -0.0009 0.00000
549 0.0439 0.00000
550 0.0203 0.00000
551 -0.1262 0.00000
552 -0.0308 0.00000
553 0.0130 0.00000
554 -0.0476 0.00000
555 0.0287 0.00000
556 -0.0982 0.00000
557 -0.0929 0.00000
558 0.0553 0.00000
559 -0.1184 0.00000
560 0.1403 0.00000
561 0.0729 0.00000
562 -0.0079 0.00000
563 0.0438 0.00000
564 0.0518 0.00000
565 0.0438 0.00000
566 -0.3079 0.00000
567 -0.2512 0.00000
568 0.0346 0.00000
569 -0.0623 0.00000
570 -0.0205 0.00000
571 -0.0302 0.00000
572 -0.1521 0.00000
573 0.0368 0.00000
574 0.0285 0.00000
575 -0.0313 0.00000
576 -0.0513 0.00000
577 -0.1684 0.00000
578 -0.0562 0.00000
579 0.0583 0.00000
580 0.0325 0.00000
581 -0.1031 0.00000
582 0.0095 0.00000
583 0.0385 0.00000
584 0.3600 0.00000
585 0.0934 0.00000
586 0.0284 0.00000
587 0.0531 0.00000
588 0.1014 0.00000
589 -0.1271 0.00000
590 0.0575 0.00000
591 0.0177 0.00000
592 0.0017 0.00000
593 -0.0839 0.00000
594 -0.0488 0.00000
595 -0.0466 0.00000
596 -0.0689 0.00000
597 -0.0684 0.00000
598 0.0033 0.00000
599 0.0585 0.00000
600 0.0269 0.00000
601 0.0178 0.00000
602 -0.0413 0.00000
603 0.0414 0.00000
604 0.0077 0.00000
605 0.0073 0.00000
606 0.0144 0.00000
607 0.0085 0.00000
608 -0.0567 0.00000
609 -0.1099 0.00000
610 -0.0720 0.00000
611 0.1154 0.00000
612 0.0231 0.00000
613 -0.0165 0.00000
614 -0.0188 0.00000
615 -0.0531 0.00000
616 -0.0404 0.00000
617 0.0065 0.00000
618 0.1007 0.00000
619 0.0168 0.00000
620 -0.1013 0.00000
621 0.0390 0.00000
622 0.0021 0.00000
623 -0.0734 0.00000
624 -0.0771 0.00000
625 -0.1222 0.00000
626 0.0398 0.00000
627 0.0545 0.00000
628 -0.0032 0.00000
629 -0.0712 0.00000
630 0.0024 0.00000
631 -0.0698 0.00000
632 0.0001 0.00000
633 -0.0385 0.00000
634 0.0345 0.00000
635 -0.0123 0.00000
636 -0.0313 0.00000
637 -0.0291 0.00000
638 0.0510 0.00000
639 0.0133 0.00000
640 -0.0167 0.00000
641 0.0313 0.00000
642 -0.0506 0.00000
643 -0.0020 0.00000
644 0.0030 0.00000
645 -0.0038 0.00000
646 -0.0389 0.00000
647 0.0395 0.00000
648 0.0264 0.00000
649 0.0126 0.00000
650 -0.0309 0.00000
651 -0.0101 0.00000
652 0.0440 0.00000
653 0.0166 0.00000
654 -0.0053 0.00000
655 0.0213 0.00000
656 -0.0254 0.00000
657 0.0308 0.00000
658 -0.0148 0.00000
659 0.0217 0.00000
660 0.0052 0.00000
661 0.0893 0.00000
662 -0.0199 0.00000
663 0.0294 0.00000
664 -0.0013 0.00000
665 -0.0701 0.00000
666 0.0629 0.00000
667 0.0378 0.00000
668 0.0170 0.00000
669 0.0133 0.00000
670 0.0113 0.00000
671 0.0179 0.00000
672 -0.0060 0.00000
673 0.0220 0.00000
674 -0.0304 0.00000
675 0.0282 0.00000
676 0.0136 0.00000
677 -0.0026 0.00000
678 -0.0530 0.00000
679 -0.0893 0.00000
680 0.0072 0.00000
681 0.0228 0.00000
682 -0.0924 0.00000
683 0.0340 0.00000
684 -0.0550 0.00000
685 0.0862 0.00000
686 0.0526 0.00000
687 0.0313 0.00000
688 0.0246 0.00000
689 -0.0145 0.00000
690 0.0004 0.00000
691 -0.0117 0.00000
692 0.0380 0.00000
693 0.0130 0.00000
694 0.0519 0.00000
695 -0.0139 0.00000
696 0.0070 0.00000
697 0.0678 0.00000
698 0.0183 0.00000
699 0.0172 0.00000
700 0.0307 0.00000
701 -0.0802 0.00000
702 -0.0581 0.00000
703 0.0051 0.00000
704 0.0458 0.00000
705 -0.1121 0.00000
706 -0.0572 0.00000
707 -0.0550 0.00000
708 0.0021 0.00000
709 0.0281 0.00000
710 0.0280 0.00000
711 -0.0228 0.00000
712 -0.0029 0.00000
713 0.0047 0.00000
714 0.0692 0.00000
715 0.0384 0.00000
716 0.0082 0.00000
717 -0.0415 0.00000
718 -0.0017 0.00000
719 0.0244 0.00000
720 0.0079 0.00000
721 0.0232 0.00000
722 0.0614 0.00000
723 0.0809 0.00000
724 -0.0581 0.00000
725 -0.0009 0.00000
726 0.0096 0.00000
727 -0.0880 0.00000
728 0.0048 0.00000
729 0.0030 0.00000
730 -0.0377 0.00000
731 0.0643 0.00000
732 -0.0195 0.00000
733 -0.0084 0.00000
734 0.0034 0.00000
735 0.0343 0.00000
736 -0.0117 0.00000
737 -0.0105 0.00000
738 -0.0097 0.00000
739 0.0152 0.00000
740 -0.0466 0.00000
741 0.0122 0.00000
742 -0.0524 0.00000
743 -0.0007 0.00000
744 0.0126 0.00000
745 0.0403 0.00000
746 0.0441 0.00000
747 -0.0217 0.00000
748 0.0097 0.00000
749 -0.0584 0.00000
750 0.0201 0.00000
751 0.0318 0.00000
752 -0.0157 0.00000
753 0.1069 0.00000
754 0.0146 0.00000
755 -0.0487 0.00000
756 -0.0003 0.00000
757 -0.0191 0.00000
758 -0.0074 0.00000
759 0.0337 0.00000
760 0.0119 0.00000
761 0.0237 0.00000
762 0.0395 0.00000
763 0.0330 0.00000
764 -0.0099 0.00000
765 -0.0679 0.00000
766 0.0100 0.00000
767 -0.0068 0.00000
768 0.0253 0.00000
769 0.0642 0.00000
770 0.0071 0.00000
771 0.0147 0.00000
772 0.0168 0.00000
773 0.0231 0.00000
774 0.0344 0.00000
775 0.0604 0.00000
776 0.0794 0.00000
777 0.0324 0.00000
778 0.0090 0.00000
779 0.0010 0.00000
780 0.0095 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1439 0.00000
5 0.1295 0.00000
6 0.0424 0.00000
7 -0.0375 0.00000
8 0.0346 0.00000
9 0.1489 0.00000
10 0.0810 0.00000
11 -0.0721 0.00000
12 0.0631 0.00000
13 -0.2539 0.00000
14 -0.1404 0.00000
15 -0.0716 0.00000
16 0.0391 0.00000
17 -0.0072 0.00000
18 0.0435 0.00000
19 -0.1725 0.00000
20 -0.2909 0.00000
21 -0.1545 0.00000
22 -0.0495 0.00000
23 0.0889 0.00000
24 0.0691 0.00000
25 0.0953 0.00000
26 0.6478 0.00000
27 0.2592 0.00000
28 0.0211 0.00000
29 -0.1616 0.00000
30 -0.2324 0.00000
31 0.0916 0.00000
32 0.0713 0.00000
33 0.0828 0.00000
34 0.1052 0.00000
35 0.0454 0.00000
36 0.0439 0.00000
37 0.0360 0.00000
38 0.1151 0.00000
39 0.0022 0.00000
40 0.0521 0.00000
41 0.1509 0.00000
42 -0.0726 0.00000
43 0.1014 0.00000
44 -0.2618 0.00000
45 -1.9995 0.00000
46 -0.1630 0.00000
47 0.0026 0.00000
48 0.0483 0.00000
49 0.0967 0.00000
50 0.0077 0.00000
51 0.0646 0.00000
52 0.1449 0.00000
53 0.0058 0.00000
54 0.1853 0.00000
55 0.0336 0.00000
56 0.2014 0.00000
57 -0.2520 0.00000
58 0.0946 0.00000
59 0.0612 0.00000
60 0.5608 0.00000
61 0.2786 0.00000
62 0.0394 0.00000
63 0.1630 0.00000
64 0.1773 0.00000
65 0.2503 0.00000
66 0.3299 0.00000
67 0.0854 0.00000
68 0.1682 0.00000
69 0.0447 0.00000
70 0.0605 0.00000
71 0.2600 0.00000
72 0.1220 0.00000
73 0.0530 0.00000
74 0.0362 0.00000
75 -0.0557 0.00000
76 0.0802 0.00000
77 0.0289 0.00000
78 0.1179 0.00000
79 -0.3778 0.00000
80 -0.0034 0.00000
81 -0.1037 0.00000
82 0.1270 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0047 0.00000
90 -0.3073 0.00000
91 -0.3108 0.00000
92 -0.1719 0.00000
93 0.0621 0.00000
94 0.0852 0.00000
95 0.0568 0.00000
96 0.0857 0.00000
97 -0.1570 0.00000
98 0.0051 0.00000
99 0.0510 0.00000
100 0.0849 0.00000
101 -0.0751 0.00000
102 0.1147 0.00000
103 -0.0575 0.00000
104 0.1079 0.00000
105 -0.1426 0.00000
106 0.0426 0.00000
107 -0.0311 0.00000
108 0.3432 0.00000
109 0.0830 0.00000
110 0.0601 0.00000
111 0.0953 0.00000
112 0.0336 0.00000
113 0.0974 0.00000
114 0.2793 0.00000
115 -0.2516 0.00000
116 -0.0283 0.00000
117 0.1385 0.00000
118 0.0623 0.00000
119 0.0987 0.00000
120 0.0677 0.00000
121 0.0599 0.00000
122 -0.2777 0.00000
123 0.1002 0.00000
124 0.2072 0.00000
125 -0.0196 0.00000
126 -0.1361 0.00000
127 -0.0366 0.00000
128 -0.0504 0.00000
129 0.1397 0.00000
130 -0.0892 0.00000
131 0.0516 0.00000
132 -0.2346 0.00000
133 0.1012 0.00000
134 -0.1971 0.00000
135 0.0109 0.00000
136 -0.2410 0.00000
137 -0.0919 0.00000
138 0.4508 0.00000
139 -0.0286 0.00000
140 0.0084 0.00000
141 -0.4018 0.00000
142 0.0614 0.00000
143 0.0053 0.00000
144 0.0429 0.00000
145 0.0353 0.00000
146 0.0602 0.00000
147 0.0076 0.00000
148 -0.0441 0.00000
149 0.1638 0.00000
150 -0.0166 0.00000
151 0.0675 0.00000
152 -0.0376 0.00000
153 0.0926 0.00000
154 0.1595 0.00000
155 0.1185 0.00000
156 0.3158 0.00000
157 0.1141 0.00000
158 0.0222 0.00000
159 0.2296 0.00000
160 0.1210 0.00000
161 0.0284 0.00000
162 -0.0004 0.00000
163 0.1301 0.00000
164 0.0776 0.00000
165 -0.2463 0.00000
166 0.1575 0.00000
167 0.0710 0.00000
168 -0.1035 0.00000
169 -0.3905 0.00000
170 0.0377 0.00000
171 -0.2527 0.00000
172 0.0592 0.00000
173 -0.0413 0.00000
174 0.0426 0.00000
175 0.0605 0.00000
176 -0.0097 0.00000
177 0.1291 0.00000
178 -0.1636 0.00000
179 -0.3101 0.00000
180 -0.0039 0.00000
181 0.0369 0.00000
182 -0.1471 0.00000
183 -0.1022 0.00000
184 -0.2246 0.00000
185 -0.3553 0.00000
186 -0.0056 0.00000
187 0.0230 0.00000
188 0.0127 0.00000
189 0.0351 0.00000
190 0.0492 0.00000
191 -0.0295 0.00000
192 0.0484 0.00000
193 -0.0670 0.00000
194 0.1370 0.00000
195 0.2371 0.00000
196 0.1095 0.00000
197 0.0371 0.00000
198 0.4656 0.00000
199 -0.0303 0.00000
200 0.0164 0.00000
201 0.0021 0.00000
202 0.0489 0.00000
203 -0.0287 0.00000
204 0.3320 0.00000
205 0.1054 0.00000
206 0.1776 0.00000
207 0.0800 0.00000
208 0.0222 0.00000
209 0.0632 0.00000
210 -0.0123 0.00000
211 0.0005 0.00000
212 0.0174 0.00000
213 0.0514 0.00000
214 0.0449 0.00000
215 0.0662 0.00000
216 -0.1404 0.00000
217 0.1383 0.00000
218 -0.1342 0.00000
219 0.0556 0.00000
220 0.0130 0.00000
221 -0.0166 0.00000
222 0.0476 0.00000
223 0.0436 0.00000
224 0.0822 0.00000
225 0.2282 0.00000
226 0.1191 0.00000
227 -0.0717 0.00000
228 0.0174 0.00000
229 0.1303 0.00000
230 0.0645 0.00000
231 -0.0851 0.00000
232 -0.2528 0.00000
233 -0.2491 0.00000
234 -0.3429 0.00000
235 -0.0374 0.00000
236 -0.0352 0.00000
237 -0.1224 0.00000
238 -0.0289 0.00000
239 -0.0432 0.00000
240 -0.2047 0.00000
241 -0.1380 0.00000
242 -0.2559 0.00000
243 -0.0144 0.00000
244 0.0221 0.00000
245 -0.0439 0.00000
246 -0.0847 0.00000
247 -0.0292 0.00000
248 -0.0133 0.00000
249 -0.1523 0.00000
250 -0.0492 0.00000
251 -0.0946 0.00000
252 0.0277 0.00000
253 0.2184 0.00000
254 -0.0052 0.00000
255 0.0336 0.00000
256 0.1152 0.00000
257 0.0113 0.00000
258 0.0960 0.00000
259 -0.0151 0.00000
260 0.0353 0.00000
261 0.1667 0.00000
262 0.0263 0.00000
263 0.0267 0.00000
264 0.0808 0.00000
265 -0.0141 0.00000
266 -0.0780 0.00000
267 0.0312 0.00000
268 -0.0735 0.00000
269 -0.0205 0.00000
270 -0.0204 0.00000
271 -0.0048 0.00000
272 0.0235 0.00000
273 0.0121 0.00000
274 0.0822 0.00000
275 -0.0025 0.00000
276 -0.0274 0.00000
277 -0.0588 0.00000
278 -0.3056 0.00000
279 -0.0236 0.00000
280 -0.0830 0.00000
281 0.0492 0.00000
282 0.0085 0.00000
283 -0.0715 0.00000
284 0.0032 0.00000
285 0.0067 0.00000
286 0.0430 0.00000
287 -0.0093 0.00000
288 0.0159 0.00000
289 0.0080 0.00000
290 -0.1760 0.00000
291 0.1136 0.00000
292 0.0718 0.00000
293 -0.0082 0.00000
294 0.0726 0.00000
295 -0.0123 0.00000
296 -0.0106 0.00000
297 0.1085 0.00000
298 0.1239 0.00000
299 0.0453 0.00000
300 0.0465 0.00000
301 -0.0436 0.00000
302 -0.0385 0.00000
303 0.0677 0.00000
304 0.0853 0.00000
305 0.1247 0.00000
306 0.1363 0.00000
307 -0.0491 0.00000
308 0.0596 0.00000
309 0.0317 0.00000
310 -0.0701 0.00000
311 0.0455 0.00000
312 -0.0268 0.00000
313 0.0195 0.00000
314 0.0459 0.00000
315 -0.0764 0.00000
316 0.0558 0.00000
317 0.0657 0.00000
318 0.0633 0.00000
319 -0.1446 0.00000
320 -0.1037 0.00000
321 -0.0023 0.00000
322 0.0151 0.00000
323 -0.0088 0.00000
324 -0.0308 0.00000
325 0.0232 0.00000
326 0.1336 0.00000
327 0.0164 0.00000
328 0.0148 0.00000
329 -0.0059 0.00000
330 0.0420 0.00000
331 0.0175 0.00000
332 -0.1622 0.00000
333 -0.0868 0.00000
334 -0.0149 0.00000
335 -0.0375 0.00000
336 0.0434 0.00000
337 0.0028 0.00000
338 -0.0068 0.00000
339 -0.1260 0.00000
340 0.0946 0.00000
341 0.0212 0.00000
342 -0.0228 0.00000
343 -0.0097 0.00000
344 -0.0335 0.00000
345 -0.0051 0.00000
346 0.0128 0.00000
347 0.0690 0.00000
348 -0.0067 0.00000
349 0.0170 0.00000
350 0.0075 0.00000
351 0.0635 0.00000
352 0.0376 0.00000
353 0.0155 0.00000
354 0.0787 0.00000
355 0.0539 0.00000
356 -0.0074 0.00000
357 0.0262 0.00000
358 0.0357 0.00000
359 0.0378 0.00000
360 0.0068 0.00000
361 0.0610 0.00000
362 -0.0606 0.00000
363 0.0226 0.00000
364 0.0677 0.00000
365 -0.1565 0.00000
366 0.0313 0.00000
367 0.0403 0.00000
368 0.0216 0.00000
369 0.0369 0.00000
370 0.0458 0.00000
371 -0.0256 0.00000
372 0.0304 0.00000
373 0.0190 0.00000
374 -0.0012 0.00000
375 0.0018 0.00000
376 0.1158 0.00000
377 0.0540 0.00000
378 -0.0280 0.00000
379 0.0015 0.00000
380 0.0276 0.00000
381 -0.1062 0.00000
382 -0.2839 0.00000
383 -0.1081 0.00000
384 0.0712 0.00000
385 0.0544 0.00000
386 -0.0584 0.00000
387 0.1328 0.00000
388 -0.0028 0.00000
389 0.0344 0.00000
390 -0.0073 0.00000
391 0.0334 0.00000
392 -0.1024 0.00000
393 0.0344 0.00000
394 0.0379 0.00000
395 0.0468 0.00000
396 0.0031 0.00000
397 -0.0247 0.00000
398 0.1483 0.00000
399 0.0126 0.00000
400 0.0311 0.00000
401 0.0234 0.00000
402 0.0242 0.00000
403 -0.1230 0.00000
404 -0.0493 0.00000
405 0.0038 0.00000
406 0.0553 0.00000
407 0.0636 0.00000
408 -0.0027 0.00000
409 0.0398 0.00000
410 0.1404 0.00000
411 0.0202 0.00000
412 0.0387 0.00000
413 0.0176 0.00000
414 0.0978 0.00000
415 0.0721 0.00000
416 0.1551 0.00000
417 -0.0105 0.00000
418 -0.0607 0.00000
419 0.1716 0.00000
420 -0.0791 0.00000
421 -0.0326 0.00000
422 -0.0173 0.00000
423 -0.0997 0.00000
424 -0.1229 0.00000
425 -0.0815 0.00000
426 -0.0488 0.00000
427 0.0178 0.00000
428 0.0209 0.00000
429 0.0364 0.00000
430 -0.0931 0.00000
431 0.0019 0.00000
432 0.0534 0.00000
433 -0.0767 0.00000
434 -0.0660 0.00000
435 -0.0905 0.00000
436 -0.0194 0.00000
437 0.0645 0.00000
438 0.1149 0.00000
439 0.0343 0.00000
440 -0.0074 0.00000
441 0.0692 0.00000
442 -0.0318 0.00000
443 -0.0051 0.00000
444 0.0809 0.00000
445 -0.0489 0.00000
446 0.0015 0.00000
447 -0.1062 0.00000
448 0.0132 0.00000
449 -0.0034 0.00000
450 -0.1928 0.00000
451 -0.0288 0.00000
452 0.0616 0.00000
453 -0.0478 0.00000
454 0.0802 0.00000
455 0.1015 0.00000
456 0.0184 0.00000
457 -0.0504 0.00000
458 -0.1378 0.00000
459 0.1036 0.00000
460 -0.0181 0.00000
461 0.0811 0.00000
462 -0.0024 0.00000
463 0.0195 0.00000
464 0.0369 0.00000
465 0.0555 0.00000
466 0.0013 0.00000
467 -0.0005 0.00000
468 -0.0771 0.00000
469 0.2316 0.00000
470 -0.0613 0.00000
471 0.1736 0.00000
472 0.0074 0.00000
473 0.0685 0.00000
474 0.1055 0.00000
475 0.0842 0.00000
476 0.0420 0.00000
477 -0.2121 0.00000
478 -0.0142 0.00000
479 0.0351 0.00000
480 0.1064 0.00000
481 -0.0561 0.00000
482 -0.0198 0.00000
483 0.1041 0.00000
484 0.1663 0.00000
485 0.1104 0.00000
486 -0.0158 0.00000
487 0.0264 0.00000
488 -0.1692 0.00000
489 0.0165 0.00000
490 0.0125 0.00000
491 0.2321 0.00000
492 -0.0859 0.00000
493 -0.0004 0.00000
494 0.0472 0.00000
495 -0.0171 0.00000
496 0.0431 0.00000
497 0.1591 0.00000
498 0.0928 0.00000
499 0.0473 0.00000
500 0.0377 0.00000
501 0.0599 0.00000
502 0.0475 0.00000
503 0.0298 0.00000
504 0.1554 0.00000
505 -0.0960 0.00000
506 0.0231 0.00000
507 -0.1339 0.00000
508 0.0657 0.00000
509 -0.0292 0.00000
510 0.0213 0.00000
511 0.2124 0.00000
512 0.1193 0.00000
513 -0.0244 0.00000
514 0.0517 0.00000
515 -0.0588 0.00000
516 -0.0167 0.00000
517 0.0830 0.00000
518 0.0427 0.00000
519 0.0344 0.00000
520 -0.0116 0.00000
521 -0.0238 0.00000
522 0.0048 0.00000
523 0.0517 0.00000
524 0.1462 0.00000
525 -0.0019 0.00000
526 0.0179 0.00000
527 -0.0979 0.00000
528 0.0577 0.00000
529 0.1101 0.00000
530 -0.0058 0.00000
531 0.1060 0.00000
532 0.0720 0.00000
533 -0.0728 0.00000
534 0.0241 0.00000
535 -0.1273 0.00000
536 -0.0256 0.00000
537 0.0500 0.00000
538 0.0637 0.00000
539 0.1482 0.00000
540 0.0275 0.00000
541 0.1626 0.00000
542 0.0772 0.00000
543 0.0560 0.00000
544 0.0703 0.00000
545 0.0271 0.00000
546 0.0689 0.00000
547 -0.0048 0.00000
548 -0.0680 0.00000
549 0.0472 0.00000
550 0.0208 0.00000
551 -0.0306 0.00000
552 -0.0650 0.00000
553 0.0248 0.00000
554 -0.0512 0.00000
555 0.0259 0.00000
556 0.0092 0.00000
557 0.0965 0.00000
558 -0.2025 0.00000
559 0.0390 0.00000
560 0.0703 0.00000
561 -0.0051 0.00000
562 -0.0046 0.00000
563 0.0187 0.00000
564 0.0604 0.00000
565 -0.0925 0.00000
566 -0.2184 0.00000
567 -0.2598 0.00000
568 -0.0958 0.00000
569 -0.0168 0.00000
570 -0.0008 0.00000
571 -0.0438 0.00000
572 -0.0175 0.00000
573 -0.1483 0.00000
574 0.0451 0.00000
575 -0.0530 0.00000
576 0.1152 0.00000
577 -0.2243 0.00000
578 0.0657 0.00000
579 0.0468 0.00000
580 -0.0328 0.00000
581 -0.0504 0.00000
582 -0.0513 0.00000
583 -0.0303 0.00000
584 0.3826 0.00000
585 0.0350 0.00000
586 0.0894 0.00000
587 0.0603 0.00000
588 0.0802 0.00000
589 -0.1287 0.00000
590 0.0890 0.00000
591 -0.0184 0.00000
592 0.0205 0.00000
593 -0.0884 0.00000
594 -0.0488 0.00000
595 -0.0466 0.00000
596 -0.0690 0.00000
597 -0.0688 0.00000
598 -0.0152 0.00000
599 0.0813 0.00000
600 0.0796 0.00000
601 0.0294 0.00000
602 -0.1102 0.00000
603 -0.0256 0.00000
604 0.0454 0.00000
605 -0.0147 0.00000
606 0.0730 0.00000
607 -0.0131 0.00000
608 -0.1035 0.00000
609 -0.0405 0.00000
610 -0.0104 0.00000
611 -0.0300 0.00000
612 0.0425 0.00000
613 0.0006 0.00000
614 -0.0041 0.00000
615 0.0031 0.00000
616 -0.0552 0.00000
617 0.0768 0.00000
618 0.0220 0.00000
619 -0.0894 0.00000
620 -0.0115 0.00000
621 0.0009 0.00000
622 -0.0228 0.00000
623 0.0060 0.00000
624 0.0239 0.00000
625 -0.0895 0.00000
626 -0.0584 0.00000
627 -0.0533 0.00000
628 -0.0073 0.00000
629 0.0038 0.00000
630 0.0302 0.00000
631 -0.0237 0.00000
632 -0.0824 0.00000
633 -0.0386 0.00000
634 -0.0201 0.00000
635 0.0248 0.00000
636 -0.0422 0.00000
637 0.0497 0.00000
638 -0.0079 0.00000
639 -0.0345 0.00000
640 0.0293 0.00000
641 0.0184 0.00000
642 0.0420 0.00000
643 0.0356 0.00000
644 0.0887 0.00000
645 -0.0557 0.00000
646 0.0425 0.00000
647 -0.0201 0.00000
648 -0.0155 0.00000
649 -0.0110 0.00000
650 -0.0534 0.00000
651 -0.0369 0.00000
652 -0.0341 0.00000
653 -0.0189 0.00000
654 0.0616 0.00000
655 0.0030 0.00000
656 0.0167 0.00000
657 -0.0044 0.00000
658 0.0670 0.00000
659 -0.0065 0.00000
660 -0.0155 0.00000
661 -0.0058 0.00000
662 -0.0454 0.00000
663 -0.0505 0.00000
664 -0.0213 0.00000
665 0.0070 0.00000
666 0.0266 0.00000
667 0.0471 0.00000
668 0.0285 0.00000
669 -0.0135 0.00000
670 0.0275 0.00000
671 0.0576 0.00000
672 -0.0138 0.00000
673 0.0439 0.00000
674 -0.0018 0.00000
675 0.0452 0.00000
676 -0.0000 0.00000
677 -0.0891 0.00000
678 -0.0148 0.00000
679 0.0165 0.00000
680 0.0160 0.00000
681 0.0347 0.00000
682 -0.0340 0.00000
683 0.0038 0.00000
684 -0.0045 0.00000
685 0.0483 0.00000
686 0.0205 0.00000
687 0.0026 0.00000
688 0.0266 0.00000
689 -0.0091 0.00000
690 0.1028 0.00000
691 -0.0609 0.00000
692 -0.0074 0.00000
693 0.0554 0.00000
694 0.0163 0.00000
695 -0.0352 0.00000
696 -0.1078 0.00000
697 0.0012 0.00000
698 0.0319 0.00000
699 0.0392 0.00000
700 0.0297 0.00000
701 -0.0208 0.00000
702 0.0167 0.00000
703 0.0786 0.00000
704 -0.0421 0.00000
705 -0.0348 0.00000
706 0.0286 0.00000
707 0.0108 0.00000
708 0.0305 0.00000
709 -0.1422 0.00000
710 0.0386 0.00000
711 0.0474 0.00000
712 -0.0191 0.00000
713 0.0075 0.00000
714 0.0120 0.00000
715 0.0283 0.00000
716 -0.0586 0.00000
717 -0.0231 0.00000
718 0.0063 0.00000
719 0.0224 0.00000
720 0.0082 0.00000
721 -0.0071 0.00000
722 0.0338 0.00000
723 -0.0009 0.00000
724 0.0890 0.00000
725 0.0053 0.00000
726 -0.0057 0.00000
727 -0.0479 0.00000
728 0.0035 0.00000
729 0.0198 0.00000
730 0.0487 0.00000
731 -0.0394 0.00000
732 0.0248 0.00000
733 -0.0118 0.00000
734 -0.0408 0.00000
735 0.0232 0.00000
736 0.0388 0.00000
737 -0.0624 0.00000
738 0.0406 0.00000
739 -0.0612 0.00000
740 -0.0188 0.00000
741 -0.0310 0.00000
742 -0.0711 0.00000
743 0.0003 0.00000
744 0.0123 0.00000
745 0.0211 0.00000
746 0.0275 0.00000
747 0.0409 0.00000
748 0.1038 0.00000
749 -0.0425 0.00000
750 0.0007 0.00000
751 0.0904 0.00000
752 0.0078 0.00000
753 -0.0247 0.00000
754 0.0084 0.00000
755 0.0063 0.00000
756 -0.0065 0.00000
757 -0.0312 0.00000
758 0.0054 0.00000
759 -0.0263 0.00000
760 0.0409 0.00000
761 -0.0240 0.00000
762 0.0325 0.00000
763 0.0394 0.00000
764 0.0123 0.00000
765 -0.0495 0.00000
766 0.0026 0.00000
767 0.0623 0.00000
768 -0.0205 0.00000
769 0.0144 0.00000
770 -0.0114 0.00000
771 -0.0880 0.00000
772 -0.0168 0.00000
773 -0.0096 0.00000
774 0.0576 0.00000
775 0.0399 0.00000
776 -0.0103 0.00000
777 0.0274 0.00000
778 0.0763 0.00000
779 -0.0134 0.00000
780 0.0525 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1383 0.00000
5 0.1239 0.00000
6 0.0423 0.00000
7 -0.0368 0.00000
8 0.0334 0.00000
9 0.1491 0.00000
10 0.0823 0.00000
11 -0.0719 0.00000
12 0.0614 0.00000
13 -0.2541 0.00000
14 -0.1407 0.00000
15 -0.0716 0.00000
16 0.0502 0.00000
17 -0.0283 0.00000
18 0.0368 0.00000
19 -0.1066 0.00000
20 -0.3238 0.00000
21 -0.1545 0.00000
22 -0.0636 0.00000
23 0.0989 0.00000
24 0.0616 0.00000
25 0.1620 0.00000
26 0.3700 0.00000
27 0.4569 0.00000
28 -0.0109 0.00000
29 -0.0114 0.00000
30 -0.3090 0.00000
31 0.0607 0.00000
32 0.0799 0.00000
33 0.0815 0.00000
34 0.1005 0.00000
35 0.0485 0.00000
36 0.0303 0.00000
37 0.0407 0.00000
38 0.1192 0.00000
39 0.0573 0.00000
40 0.0014 0.00000
41 0.1329 0.00000
42 -0.0006 0.00000
43 0.1064 0.00000
44 -1.3582 0.00000
45 -0.9541 0.00000
46 -0.1965 0.00000
47 0.0151 0.00000
48 0.0502 0.00000
49 0.0847 0.00000
50 -0.0043 0.00000
51 0.0734 0.00000
52 0.1651 0.00000
53 0.0094 0.00000
54 0.0318 0.00000
55 0.1893 0.00000
56 0.2035 0.00000
57 -0.2533 0.00000
58 0.1066 0.00000
59 0.0519 0.00000
60 0.5967 0.00000
61 0.0192 0.00000
62 0.3500 0.00000
63 0.0789 0.00000
64 0.1649 0.00000
65 0.2041 0.00000
66 0.3797 0.00000
67 0.1336 0.00000
68 0.1007 0.00000
69 0.0564 0.00000
70 0.0634 0.00000
71 0.2576 0.00000
72 0.1221 0.00000
73 0.0532 0.00000
74 0.0456 0.00000
75 -0.0617 0.00000
76 0.0923 0.00000
77 0.0235 0.00000
78 -0.4266 0.00000
79 0.1598 0.00000
80 -0.0053 0.00000
81 -0.1019 0.00000
82 0.1267 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0065 0.00000
90 -0.3193 0.00000
91 -0.2749 0.00000
92 -0.1836 0.00000
93 0.0423 0.00000
94 0.1105 0.00000
95 0.0080 0.00000
96 0.0769 0.00000
97 -0.0874 0.00000
98 -0.0224 0.00000
99 0.0469 0.00000
100 0.0269 0.00000
101 -0.0196 0.00000
102 0.0889 0.00000
103 -0.0415 0.00000
104 0.1031 0.00000
105 -0.1442 0.00000
106 0.0531 0.00000
107 0.1454 0.00000
108 0.2194 0.00000
109 0.1591 0.00000
110 0.0279 0.00000
111 0.0839 0.00000
112 0.0313 0.00000
113 -0.0705 0.00000
114 -0.1592 0.00000
115 0.2689 0.00000
116 -0.0415 0.00000
117 0.1705 0.00000
118 0.0720 0.00000
119 0.0428 0.00000
120 0.1357 0.00000
121 0.0848 0.00000
122 -0.3350 0.00000
123 0.0961 0.00000
124 0.2049 0.00000
125 -0.0038 0.00000
126 -0.1369 0.00000
127 -0.0336 0.00000
128 -0.0711 0.00000
129 0.1603 0.00000
130 -0.0602 0.00000
131 -0.0101 0.00000
132 -0.1048 0.00000
133 -0.0108 0.00000
134 -0.1899 0.00000
135 0.0072 0.00000
136 -0.3180 0.00000
137 0.0005 0.00000
138 0.4271 0.00000
139 -0.0079 0.00000
140 0.0006 0.00000
141 -0.4062 0.00000
142 0.0648 0.00000
143 0.0047 0.00000
144 0.0432 0.00000
145 0.0386 0.00000
146 0.0542 0.00000
147 0.0101 0.00000
148 -0.0378 0.00000
149 0.1505 0.00000
150 -0.0334 0.00000
151 0.0695 0.00000
152 0.0855 0.00000
153 -0.0068 0.00000
154 0.2948 0.00000
155 0.1619 0.00000
156 0.0157 0.00000
157 0.0923 0.00000
158 0.1128 0.00000
159 0.2010 0.00000
160 0.1760 0.00000
161 0.0176 0.00000
162 0.0116 0.00000
163 0.0591 0.00000
164 0.0134 0.00000
165 0.0885 0.00000
166 -0.1538 0.00000
167 0.0446 0.00000
168 -0.0345 0.00000
169 0.0371 0.00000
170 -0.2196 0.00000
171 -0.0728 0.00000
172 -0.1562 0.00000
173 0.1074 0.00000
174 -0.0678 0.00000
175 -0.0131 0.00000
176 -0.0210 0.00000
177 -0.0584 0.00000
178 -0.0159 0.00000
179 -0.0619 0.00000
180 0.0572 0.00000
181 -0.3233 0.00000
182 -0.1867 0.00000
183 -0.0782 0.00000
184 -0.0835 0.00000
185 -0.4182 0.00000
186 -0.1312 0.00000
187 0.1143 0.00000
188 -0.0666 0.00000
189 -0.0361 0.00000
190 0.0103 0.00000
191 0.0671 0.00000
192 0.0487 0.00000
193 0.0354 0.00000
194 0.1513 0.00000
195 0.2116 0.00000
196 0.1516 0.00000
197 0.0858 0.00000
198 0.4157 0.00000
199 0.1397 0.00000
200 0.0063 0.00000
201 0.1872 0.00000
202 0.0064 0.00000
203 0.0605 0.00000
204 -0.0296 0.00000
205 0.0925 0.00000
206 0.0536 0.00000
207 0.2071 0.00000
208 0.0088 0.00000
209 0.0638 0.00000
210 0.0138 0.00000
211 -0.0185 0.00000
212 0.0520 0.00000
213 -0.0450 0.00000
214 0.0600 0.00000
215 0.0674 0.00000
216 -0.0155 0.00000
217 -0.2158 0.00000
218 0.0899 0.00000
219 0.0762 0.00000
220 0.0399 0.00000
221 0.0221 0.00000
222 0.0328 0.00000
223 0.0441 0.00000
224 0.0639 0.00000
225 0.2180 0.00000
226 0.1948 0.00000
227 -0.1350 0.00000
228 0.0197 0.00000
229 0.1367 0.00000
230 0.0692 0.00000
231 -0.0842 0.00000
232 -0.2314 0.00000
233 -0.2731 0.00000
234 -0.3540 0.00000
235 -0.0632 0.00000
236 -0.0469 0.00000
237 -0.1320 0.00000
238 0.0539 0.00000
239 -0.0500 0.00000
240 -0.2001 0.00000
241 -0.1430 0.00000
242 -0.1360 0.00000
243 -0.2622 0.00000
244 -0.0187 0.00000
245 0.0929 0.00000
246 -0.0532 0.00000
247 -0.0663 0.00000
248 -0.0618 0.00000
249 -0.0959 0.00000
250 0.0671 0.00000
251 -0.1654 0.00000
252 0.0885 0.00000
253 0.0123 0.00000
254 0.0013 0.00000
255 0.0824 0.00000
256 0.0998 0.00000
257 0.1161 0.00000
258 0.0656 0.00000
259 0.0914 0.00000
260 0.1249 0.00000
261 0.0712 0.00000
262 -0.0348 0.00000
263 0.0080 0.00000
264 0.0779 0.00000
265 -0.0723 0.00000
266 -0.0829 0.00000
267 0.0114 0.00000
268 0.0306 0.00000
269 0.0805 0.00000
270 0.0095 0.00000
271 -0.0382 0.00000
272 -0.0411 0.00000
273 0.0125 0.00000
274 -0.0913 0.00000
275 -0.1190 0.00000
276 -0.0410 0.00000
277 -0.0371 0.00000
278 -0.2941 0.00000
279 -0.0744 0.00000
280 0.0630 0.00000
281 0.0066 0.00000
282 -0.0536 0.00000
283 -0.0412 0.00000
284 0.0314 0.00000
285 -0.0308 0.00000
286 0.0281 0.00000
287 0.0280 0.00000
288 0.0940 0.00000
289 0.0328 0.00000
290 -0.0536 0.00000
291 -0.0240 0.00000
292 -0.0250 0.00000
293 0.0252 0.00000
294 0.0584 0.00000
295 0.0792 0.00000
296 0.1418 0.00000
297 0.0847 0.00000
298 0.1944 0.00000
299 0.0021 0.00000
300 0.0663 0.00000
301 0.0161 0.00000
302 0.0756 0.00000
303 0.0065 0.00000
304 -0.0076 0.00000
305 -0.0235 0.00000
306 0.0481 0.00000
307 -0.0032 0.00000
308 0.0300 0.00000
309 0.1940 0.00000
310 0.0353 0.00000
311 0.0019 0.00000
312 -0.1468 0.00000
313 0.0860 0.00000
314 -0.0119 0.00000
315 -0.0033 0.00000
316 -0.0837 0.00000
317 0.0707 0.00000
318 -0.0325 0.00000
319 -0.0114 0.00000
320 0.0551 0.00000
321 -0.0419 0.00000
322 0.0994 0.00000
323 -0.0673 0.00000
324 -0.1324 0.00000
325 -0.0174 0.00000
326 0.0241 0.00000
327 0.1049 0.00000
328 0.0127 0.00000
329 -0.0384 0.00000
330 -0.0628 0.00000
331 -0.1351 0.00000
332 0.0105 0.00000
333 -0.0352 0.00000
334 0.0273 0.00000
335 0.0274 0.00000
336 0.0392 0.00000
337 -0.0668 0.00000
338 0.0781 0.00000
339 -0.0434 0.00000
340 -0.0368 0.00000
341 0.0265 0.00000
342 -0.0205 0.00000
343 0.0254 0.00000
344 -0.0370 0.00000
345 0.0043 0.00000
346 -0.0149 0.00000
347 0.0020 0.00000
348 -0.0333 0.00000
349 0.0240 0.00000
350 0.0247 0.00000
351 0.0517 0.00000
352 0.0597 0.00000
353 0.0756 0.00000
354 0.0287 0.00000
355 0.1167 0.00000
356 -0.0241 0.00000
357 0.0460 0.00000
358 0.0131 0.00000
359 -0.0180 0.00000
360 0.0289 0.00000
361 0.0244 0.00000
362 0.0461 0.00000
363 -0.1271 0.00000
364 0.0167 0.00000
365 0.0148 0.00000
366 0.0416 0.00000
367 -0.1218 0.00000
368 0.0696 0.00000
369 0.0200 0.00000
370 0.0089 0.00000
371 0.0566 0.00000
372 0.0547 0.00000
373 0.0630 0.00000
374 -0.0133 0.00000
375 0.1328 0.00000
376 0.0078 0.00000
377 -0.0776 0.00000
378 0.0062 0.00000
379 0.0274 0.00000
380 -0.0238 0.00000
381 -0.0463 0.00000
382 -0.3088 0.00000
383 0.0409 0.00000
384 0.0919 0.00000
385 -0.0524 0.00000
386 0.0950 0.00000
387 0.0710 0.00000
388 -0.0020 0.00000
389 -0.0201 0.00000
390 -0.1658 0.00000
391 0.0675 0.00000
392 -0.0326 0.00000
393 0.0151 0.00000
394 0.0494 0.00000
395 0.0823 0.00000
396 0.0786 0.00000
397 0.0447 0.00000
398 0.0065 0.00000
399 0.0129 0.00000
400 0.0428 0.00000
401 0.0223 0.00000
402 -0.0266 0.00000
403 0.0501 0.00000
404 0.0106 0.00000
405 0.1048 0.00000
406 0.0121 0.00000
407 0.0465 0.00000
408 0.0086 0.00000
409 0.0489 0.00000
410 -0.0186 0.00000
411 0.0897 0.00000
412 0.0417 0.00000
413 -0.0163 0.00000
414 0.1076 0.00000
415 -0.0448 0.00000
416 -0.3059 0.00000
417 0.0184 0.00000
418 -0.0053 0.00000
419 -0.0256 0.00000
420 -0.0293 0.00000
421 0.0820 0.00000
422 0.0065 0.00000
423 -0.0691 0.00000
424 0.0547 0.00000
425 -0.0244 0.00000
426 -0.1430 0.00000
427 0.0922 0.00000
428 -0.1073 0.00000
429 0.1855 0.00000
430 0.0538 0.00000
431 0.0205 0.00000
432 0.0169 0.00000
433 0.0221 0.00000
434 -0.0272 0.00000
435 0.0465 0.00000
436 0.0454 0.00000
437 0.0472 0.00000
438 -0.1574 0.00000
439 -0.1221 0.00000
440 0.0160 0.00000
441 0.1691 0.00000
442 0.1819 0.00000
443 -0.0031 0.00000
444 -0.0305 0.00000
445 0.0339 0.00000
446 -0.0279 0.00000
447 -0.2233 0.00000
448 -0.0593 0.00000
449 -0.1307 0.00000
450 -0.0401 0.00000
451 0.1075 0.00000
452 -0.0302 0.00000
453 0.0255 0.00000
454 -0.0125 0.00000
455 0.0223 0.00000
456 -0.2952 0.00000
457 0.0299 0.00000
458 0.0496 0.00000
459 0.0342 0.00000
460 -0.0728 0.00000
461 0.0364 0.00000
462 0.0294 0.00000
463 0.0020 0.00000
464 0.0881 0.00000
465 0.1856 0.00000
466 0.0473 0.00000
467 0.0601 0.00000
468 0.0222 0.00000
469 -0.0631 0.00000
470 0.1496 0.00000
471 0.0608 0.00000
472 0.0465 0.00000
473 -0.1296 0.00000
474 -0.1259 0.00000
475 0.0862 0.00000
476 0.0129 0.00000
477 0.2900 0.00000
478 0.0284 0.00000
479 -0.0105 0.00000
480 0.0890 0.00000
481 -0.1164 0.00000
482 0.0262 0.00000
483 0.2596 0.00000
484 0.0259 0.00000
485 0.0265 0.00000
486 -0.0726 0.00000
487 -0.0315 0.00000
488 0.0496 0.00000
489 0.0327 0.00000
490 0.0507 0.00000
491 0.0028 0.00000
492 0.0475 0.00000
493 -0.0253 0.00000
494 0.0496 0.00000
495 0.2362 0.00000
496 0.0800 0.00000
497 -0.0255 0.00000
498 0.0725 0.00000
499 0.1062 0.00000
500 0.0095 0.00000
501 0.0154 0.00000
502 -0.1408 0.00000
503 0.0312 0.00000
504 0.0308 0.00000
505 0.0524 0.00000
506 0.0383 0.00000
507 -0.0673 0.00000
508 0.0241 0.00000
509 0.0250 0.00000
510 0.1356 0.00000
511 0.0093 0.00000
512 0.0377 0.00000
513 0.0405 0.00000
514 0.0202 0.00000
515 0.1148 0.00000
516 -0.0735 0.00000
517 0.0149 0.00000
518 0.1007 0.00000
519 -0.0134 0.00000
520 -0.0056 0.00000
521 0.0490 0.00000
522 0.0177 0.00000
523 0.1543 0.00000
524 -0.0094 0.00000
525 0.0885 0.00000
526 -0.0305 0.00000
527 0.0063 0.00000
528 0.0153 0.00000
529 -0.0584 0.00000
530 0.0408 0.00000
531 0.0888 0.00000
532 0.0771 0.00000
533 0.0382 0.00000
534 0.0447 0.00000
535 -0.0561 0.00000
536 0.2438 0.00000
537 -0.1881 0.00000
538 0.0882 0.00000
539 0.0683 0.00000
540 -0.0841 0.00000
541 0.0394 0.00000
542 0.0497 0.00000
543 0.0823 0.00000
544 0.0934 0.00000
545 0.0662 0.00000
546 -0.0247 0.00000
547 0.0152 0.00000
548 0.0198 0.00000
549 0.0171 0.00000
550 0.0611 0.00000
551 0.0164 0.00000
552 -0.0604 0.00000
553 -0.1030 0.00000
554 0.0044 0.00000
555 -0.0555 0.00000
556 -0.0029 0.00000
557 0.0760 0.00000
558 -0.0938 0.00000
559 -0.0031 0.00000
560 0.1258 0.00000
561 -0.0013 0.00000
562 0.0158 0.00000
563 -0.0310 0.00000
564 -0.0221 0.00000
565 0.0559 0.00000
566 -0.2356 0.00000
567 -0.0939 0.00000
568 0.0711 0.00000
569 -0.1345 0.00000
570 -0.2093 0.00000
571 -0.0936 0.00000
572 -0.0036 0.00000
573 0.0473 0.00000
574 -0.1988 0.00000
575 0.1136 0.00000
576 -0.0155 0.00000
577 -0.1397 0.00000
578 -0.0027 0.00000
579 0.0619 0.00000
580 -0.0340 0.00000
581 0.0187 0.00000
582 -0.2497 0.00000
583 0.0583 0.00000
584 0.4690 0.00000
585 0.0662 0.00000
586 0.0332 0.00000
587 0.0501 0.00000
588 0.1016 0.00000
589 -0.1277 0.00000
590 0.0540 0.00000
591 0.0174 0.00000
592 0.0084 0.00000
593 -0.0831 0.00000
594 -0.0489 0.00000
595 -0.0466 0.00000
596 -0.0689 0.00000
597 -0.0684 0.00000
598 0.0052 0.00000
599 0.0545 0.00000
600 -0.0031 0.00000
601 0.0548 0.00000
602 -0.0545 0.00000
603 0.0447 0.00000
604 0.0138 0.00000
605 0.0066 0.00000
606 -0.0092 0.00000
607 -0.0042 0.00000
608 -0.0173 0.00000
609 -0.0235 0.00000
610 -0.1284 0.00000
611 0.0747 0.00000
612 -0.0911 0.00000
613 0.0230 0.00000
614 -0.0324 0.00000
615 -0.0418 0.00000
616 0.0163 0.00000
617 0.0682 0.00000
618 0.0852 0.00000
619 0.0584 0.00000
620 -0.0649 0.00000
621 0.0062 0.00000
622 -0.1511 0.00000
623 0.0124 0.00000
624 -0.1282 0.00000
625 0.0664 0.00000
626 -0.0400 0.00000
627 -0.0120 0.00000
628 -0.0195 0.00000
629 0.0248 0.00000
630 -0.0625 0.00000
631 -0.0976 0.00000
632 0.0476 0.00000
633 -0.0098 0.00000
634 -0.0110 0.00000
635 -0.0718 0.00000
636 0.0382 0.00000
637 0.0163 0.00000
638 0.0052 0.00000
639 -0.0532 0.00000
640 -0.0617 0.00000
641 0.0301 0.00000
642 0.0255 0.00000
643 0.0006 0.00000
644 0.0032 0.00000
645 0.0047 0.00000
646 0.0202 0.00000
647 0.0274 0.00000
648 -0.0022 0.00000
649 -0.0407 0.00000
650 -0.0903 0.00000
651 0.0262 0.00000
652 0.0121 0.00000
653 -0.0006 0.00000
654 0.0171 0.00000
655 0.0774 0.00000
656 -0.0002 0.00000
657 0.0054 0.00000
658 0.0079 0.00000
659 0.0294 0.00000
660 0.0443 0.00000
661 0.0902 0.00000
662 0.0211 0.00000
663 0.0053 0.00000
664 -0.0280 0.00000
665 0.0598 0.00000
666 0.0231 0.00000
667 -0.0190 0.00000
668 0.0042 0.00000
669 0.0251 0.00000
670 -0.0034 0.00000
671 -0.0406 0.00000
672 0.0048 0.00000
673 0.0504 0.00000
674 -0.0621 0.00000
675 0.0124 0.00000
676 0.0089 0.00000
677 -0.1161 0.00000
678 0.0602 0.00000
679 -0.0547 0.00000
680 -0.0123 0.00000
681 0.0308 0.00000
682 0.0455 0.00000
683 0.0425 0.00000
684 0.0270 0.00000
685 -0.0074 0.00000
686 -0.0859 0.00000
687 0.0050 0.00000
688 0.0873 0.00000
689 0.0299 0.00000
690 0.0023 0.00000
691 -0.0369 0.00000
692 0.0485 0.00000
693 0.0272 0.00000
694 -0.0187 0.00000
695 0.0321 0.00000
696 -0.0082 0.00000
697 -0.0304 0.00000
698 0.0295 0.00000
699 -0.0314 0.00000
700 0.0453 0.00000
701 -0.0752 0.00000
702 -0.0233 0.00000
703 0.0323 0.00000
704 -0.0076 0.00000
705 0.0275 0.00000
706 0.0081 0.00000
707 -0.0848 0.00000
708 0.0089 0.00000
709 -0.0271 0.00000
710 -0.0537 0.00000
711 0.0337 0.00000
712 0.0646 0.00000
713 0.0317 0.00000
714 -0.0008 0.00000
715 0.0033 0.00000
716 -0.0151 0.00000
717 0.0032 0.00000
718 -0.0500 0.00000
719 0.0228 0.00000
720 0.0560 0.00000
721 0.0215 0.00000
722 0.0875 0.00000
723 -0.0168 0.00000
724 -0.0599 0.00000
725 -0.0832 0.00000
726 -0.0432 0.00000
727 0.0097 0.00000
728 0.0722 0.00000
729 0.0386 0.00000
730 0.0265 0.00000
731 0.0302 0.00000
732 0.0189 0.00000
733 -0.1213 0.00000
734 0.0517 0.00000
735 -0.0486 0.00000
736 -0.0050 0.00000
737 -0.0212 0.00000
738 -0.0455 0.00000
739 -0.0302 0.00000
740 0.0376 0.00000
741 -0.0025 0.00000
742 0.0117 0.00000
743 0.0195 0.00000
744 0.0277 0.00000
745 -0.0069 0.00000
746 0.0873 0.00000
747 -0.0065 0.00000
748 -0.0193 0.00000
749 -0.0162 0.00000
750 -0.0060 0.00000
751 0.0218 0.00000
752 -0.0098 0.00000
753 0.0021 0.00000
754 0.0517 0.00000
755 0.0101 0.00000
756 0.0994 0.00000
757 0.0209 0.00000
758 0.0208 0.00000
759 -0.0035 0.00000
760 0.0355 0.00000
761 -0.0815 0.00000
762 0.0728 0.00000
763 -0.0124 0.00000
764 -0.0060 0.00000
765 -0.0263 0.00000
766 0.0916 0.00000
767 0.0040 0.00000
768 0.0041 0.00000
769 -0.0126 0.00000
770 0.0132 0.00000
771 -0.0180 0.00000
772 -0.0146 0.00000
773 0.0289 0.00000
774 0.0249 0.00000
775 0.0417 0.00000
776 -0.0085 0.00000
777 0.0151 0.00000
778 -0.0011 0.00000
779 0.0309 0.00000
780 0.0308 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1484 0.00000
5 0.1343 0.00000
6 0.0420 0.00000
7 -0.0373 0.00000
8 0.0342 0.00000
9 0.1493 0.00000
10 0.0819 0.00000
11 -0.0721 0.00000
12 0.0615 0.00000
13 -0.2538 0.00000
14 -0.1410 0.00000
15 -0.0717 0.00000
16 0.0514 0.00000
17 -0.1598 0.00000
18 0.1567 0.00000
19 -0.0545 0.00000
20 -0.3769 0.00000
21 -0.1544 0.00000
22 -0.0437 0.00000
23 0.0815 0.00000
24 0.0757 0.00000
25 0.1030 0.00000
26 0.4627 0.00000
27 0.4217 0.00000
28 0.0250 0.00000
29 -0.1593 0.00000
30 -0.2120 0.00000
31 0.0746 0.00000
32 0.0672 0.00000
33 0.0893 0.00000
34 0.0857 0.00000
35 0.0558 0.00000
36 0.0577 0.00000
37 0.0202 0.00000
38 0.1123 0.00000
39 0.0519 0.00000
40 0.0021 0.00000
41 0.1457 0.00000
42 -0.0841 0.00000
43 0.1021 0.00000
44 -2.2533 0.00000
45 0.0127 0.00000
46 0.0312 0.00000
47 -0.1995 0.00000
48 0.0618 0.00000
49 0.0319 0.00000
50 0.1110 0.00000
51 0.0639 0.00000
52 0.1053 0.00000
53 0.0105 0.00000
54 0.1448 0.00000
55 0.0601 0.00000
56 0.1717 0.00000
57 -0.2659 0.00000
58 0.1092 0.00000
59 0.5276 0.00000
60 0.0714 0.00000
61 0.2677 0.00000
62 0.0778 0.00000
63 0.2152 0.00000
64 0.1512 0.00000
65 0.1949 0.00000
66 0.3926 0.00000
67 0.1008 0.00000
68 0.1517 0.00000
69 0.0453 0.00000
70 0.0616 0.00000
71 0.2598 0.00000
72 0.1222 0.00000
73 0.0519 0.00000
74 0.0356 0.00000
75 -0.0511 0.00000
76 0.0832 0.00000
77 0.0133 0.00000
78 0.1446 0.00000
79 -0.3956 0.00000
80 -0.0033 0.00000
81 -0.1035 0.00000
82 0.1270 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0074 0.00000
90 -0.3163 0.00000
91 -0.2574 0.00000
92 -0.2102 0.00000
93 0.0579 0.00000
94 0.0949 0.00000
95 -0.0020 0.00000
96 0.1258 0.00000
97 -0.1332 0.00000
98 0.0021 0.00000
99 0.0439 0.00000
100 -0.0361 0.00000
101 0.0243 0.00000
102 0.0938 0.00000
103 -0.0406 0.00000
104 0.1443 0.00000
105 -0.2081 0.00000
106 0.0498 0.00000
107 0.2524 0.00000
108 0.0565 0.00000
109 0.2573 0.00000
110 0.0381 0.00000
111 0.0956 0.00000
112 0.0113 0.00000
113 0.0344 0.00000
114 -0.2488 0.00000
115 0.2101 0.00000
116 -0.0335 0.00000
117 0.1874 0.00000
118 0.0806 0.00000
119 0.0961 0.00000
120 0.0749 0.00000
121 0.0322 0.00000
122 -0.2749 0.00000
123 0.1049 0.00000
124 0.1588 0.00000
125 0.0274 0.00000
126 -0.1403 0.00000
127 -0.0440 0.00000
128 -0.0249 0.00000
129 0.1545 0.00000
130 -0.1191 0.00000
131 0.0197 0.00000
132 -0.1663 0.00000
133 0.0660 0.00000
134 -0.2023 0.00000
135 0.0104 0.00000
136 -0.3318 0.00000
137 -0.0154 0.00000
138 0.4491 0.00000
139 -0.0301 0.00000
140 0.0263 0.00000
141 -0.3935 0.00000
142 0.0591 0.00000
143 0.0045 0.00000
144 0.0383 0.00000
145 0.0355 0.00000
146 0.0596 0.00000
147 0.0083 0.00000
148 -0.0380 0.00000
149 0.1437 0.00000
150 -0.0280 0.00000
151 0.0829 0.00000
152 0.1374 0.00000
153 -0.0405 0.00000
154 0.1870 0.00000
155 0.0800 0.00000
156 0.0672 0.00000
157 0.2077 0.00000
158 0.0385 0.00000
159 0.4033 0.00000
160 0.0646 0.00000
161 0.0539 0.00000
162 0.1066 0.00000
163 -0.2866 0.00000
164 0.1091 0.00000
165 0.0600 0.00000
166 0.1511 0.00000
167 -0.0042 0.00000
168 -0.1474 0.00000
169 -0.1777 0.00000
170 -0.1128 0.00000
171 0.1579 0.00000
172 0.0284 0.00000
173 -0.2409 0.00000
174 -0.0658 0.00000
175 -0.0012 0.00000
176 -0.1540 0.00000
177 0.0820 0.00000
178 -0.1710 0.00000
179 -0.0175 0.00000
180 0.0112 0.00000
181 -0.0507 0.00000
182 -0.1230 0.00000
183 -0.1078 0.00000
184 -0.2726 0.00000
185 -0.3406 0.00000
186 -0.0323 0.00000
187 -0.0232 0.00000
188 -0.1050 0.00000
189 -0.0245 0.00000
190 0.0509 0.00000
191 0.0147 0.00000
192 0.1017 0.00000
193 0.1672 0.00000
194 0.1127 0.00000
195 0.1903 0.00000
196 0.1152 0.00000
197 0.0389 0.00000
198 0.4877 0.00000
199 -0.0291 0.00000
200 -0.0358 0.00000
201 0.2602 0.00000
202 0.1506 0.00000
203 -0.0683 0.00000
204 0.0555 0.00000
205 0.0389 0.00000
206 0.1851 0.00000
207 0.0321 0.00000
208 0.0713 0.00000
209 0.0673 0.00000
210 -0.0053 0.00000
211 -0.0572 0.00000
212 0.0522 0.00000
213 0.0392 0.00000
214 0.0885 0.00000
215 0.0303 0.00000
216 -0.1069 0.00000
217 0.0503 0.00000
218 -0.0400 0.00000
219 0.0131 0.00000
220 0.0219 0.00000
221 0.0024 0.00000
222 0.0522 0.00000
223 0.0303 0.00000
224 0.0838 0.00000
225 0.2343 0.00000
226 0.1373 0.00000
227 -0.0889 0.00000
228 0.0240 0.00000
229 0.1274 0.00000
230 0.0648 0.00000
231 -0.0830 0.00000
232 -0.2936 0.00000
233 -0.2104 0.00000
234 -0.3367 0.00000
235 -0.0422 0.00000
236 -0.0509 0.00000
237 -0.1174 0.00000
238 -0.0169 0.00000
239 -0.0810 0.00000
240 -0.0863 0.00000
241 -0.2404 0.00000
242 -0.1135 0.00000
243 -0.1622 0.00000
244 0.0199 0.00000
245 -0.0418 0.00000
246 -0.0944 0.00000
247 -0.0425 0.00000
248 -0.0024 0.00000
249 -0.0450 0.00000
250 -0.0979 0.00000
251 -0.0153 0.00000
252 0.0180 0.00000
253 -0.0180 0.00000
254 0.0476 0.00000
255 0.0840 0.00000
256 0.0359 0.00000
257 0.1134 0.00000
258 0.0890 0.00000
259 0.0317 0.00000
260 0.2073 0.00000
261 0.0314 0.00000
262 0.0576 0.00000
263 0.0090 0.00000
264 0.0505 0.00000
265 -0.0617 0.00000
266 -0.0710 0.00000
267 0.0053 0.00000
268 0.0229 0.00000
269 -0.0105 0.00000
270 -0.0264 0.00000
271 -0.0147 0.00000
272 -0.0240 0.00000
273 -0.0115 0.00000
274 0.0489 0.00000
275 -0.0649 0.00000
276 -0.0003 0.00000
277 -0.0076 0.00000
278 -0.3101 0.00000
279 -0.0878 0.00000
280 -0.0626 0.00000
281 -0.0732 0.00000
282 0.0064 0.00000
283 0.0317 0.00000
284 -0.0409 0.00000
285 0.0479 0.00000
286 0.0444 0.00000
287 -0.0113 0.00000
288 0.0472 0.00000
289 -0.0040 0.00000
290 -0.0241 0.00000
291 -0.0166 0.00000
292 0.0302 0.00000
293 0.0817 0.00000
294 0.1091 0.00000
295 0.0613 0.00000
296 -0.0499 0.00000
297 0.0636 0.00000
298 0.1078 0.00000
299 0.0054 0.00000
300 0.0718 0.00000
301 0.1189 0.00000
302 -0.0229 0.00000
303 0.0285 0.00000
304 0.0704 0.00000
305 0.0039 0.00000
306 0.1748 0.00000
307 -0.0039 0.00000
308 -0.0163 0.00000
309 0.0731 0.00000
310 -0.0420 0.00000
311 -0.0015 0.00000
312 -0.0621 0.00000
313 0.0376 0.00000
314 0.0140 0.00000
315 -0.0819 0.00000
316 0.0244 0.00000
317 -0.0388 0.00000
318 0.0131 0.00000
319 0.0321 0.00000
320 0.0258 0.00000
321 -0.1290 0.00000
322 -0.0521 0.00000
323 0.1388 0.00000
324 0.0041 0.00000
325 0.0554 0.00000
326 0.0331 0.00000
327 0.1463 0.00000
328 -0.0835 0.00000
329 0.0242 0.00000
330 -0.0562 0.00000
331 -0.0413 0.00000
332 -0.0360 0.00000
333 -0.0086 0.00000
334 -0.1392 0.00000
335 -0.0009 0.00000
336 -0.0346 0.00000
337 0.0965 0.00000
338 0.0455 0.00000
339 -0.0291 0.00000
340 -0.0607 0.00000
341 0.0773 0.00000
342 -0.1117 0.00000
343 -0.0043 0.00000
344 -0.0096 0.00000
345 0.0072 0.00000
346 0.0440 0.00000
347 -0.0075 0.00000
348 -0.0161 0.00000
349 0.0203 0.00000
350 0.0127 0.00000
351 0.0333 0.00000
352 0.0065 0.00000
353 0.0126 0.00000
354 0.0761 0.00000
355 0.0084 0.00000
356 -0.0084 0.00000
357 0.0175 0.00000
358 0.0734 0.00000
359 0.0731 0.00000
360 -0.0116 0.00000
361 0.0634 0.00000
362 0.0656 0.00000
363 0.0110 0.00000
364 -0.0362 0.00000
365 0.0341 0.00000
366 -0.0620 0.00000
367 0.0151 0.00000
368 0.0027 0.00000
369 0.0499 0.00000
370 0.0418 0.00000
371 0.0661 0.00000
372 -0.1090 0.00000
373 0.2393 0.00000
374 0.0333 0.00000
375 0.0190 0.00000
376 -0.0586 0.00000
377 -0.0157 0.00000
378 0.0293 0.00000
379 -0.0184 0.00000
380 -0.1681 0.00000
381 -0.2118 0.00000
382 0.0413 0.00000
383 -0.1587 0.00000
384 0.1327 0.00000
385 -0.0249 0.00000
386 0.0242 0.00000
387 -0.1459 0.00000
388 0.0151 0.00000
389 0.0668 0.00000
390 -0.0216 0.00000
391 0.0844 0.00000
392 0.0072 0.00000
393 0.0125 0.00000
394 0.1490 0.00000
395 0.0138 0.00000
396 0.0462 0.00000
397 -0.0543 0.00000
398 0.0456 0.00000
399 0.0862 0.00000
400 0.0349 0.00000
401 0.0073 0.00000
402 -0.0002 0.00000
403 -0.0532 0.00000
404 0.0381 0.00000
405 0.0292 0.00000
406 0.0132 0.00000
407 0.1582 0.00000
408 -0.0756 0.00000
409 0.0330 0.00000
410 0.0872 0.00000
411 0.0937 0.00000
412 -0.0181 0.00000
413 -0.0685 0.00000
414 -0.1161 0.00000
415 -0.0479 0.00000
416 -0.0262 0.00000
417 -0.0741 0.00000
418 0.0357 0.00000
419 0.1130 0.00000
420 0.0890 0.00000
421 0.0010 0.00000
422 -0.0060 0.00000
423 -0.0203 0.00000
424 0.1444 0.00000
425 0.0187 0.00000
426 -0.0833 0.00000
427 -0.0706 0.00000
428 -0.0634 0.00000
429 -0.0369 0.00000
430 0.0361 0.00000
431 0.0327 0.00000
432 0.1444 0.00000
433 0.0717 0.00000
434 0.0617 0.00000
435 -0.1014 0.00000
436 0.0489 0.00000
437 -0.0453 0.00000
438 0.1101 0.00000
439 -0.0754 0.00000
440 0.0116 0.00000
441 -0.0407 0.00000
442 -0.0128 0.00000
443 0.0271 0.00000
444 0.0258 0.00000
445 0.0638 0.00000
446 -0.0148 0.00000
447 -0.2603 0.00000
448 0.0382 0.00000
449 0.1103 0.00000
450 -0.3125 0.00000
451 0.0090 0.00000
452 0.0498 0.00000
453 0.0224 0.00000
454 0.0759 0.00000
455 -0.3040 0.00000
456 -0.0240 0.00000
457 0.0501 0.00000
458 0.0256 0.00000
459 0.0275 0.00000
460 -0.1099 0.00000
461 0.0922 0.00000
462 0.0840 0.00000
463 0.0098 0.00000
464 0.0443 0.00000
465 0.0217 0.00000
466 -0.0749 0.00000
467 0.1704 0.00000
468 0.0361 0.00000
469 0.0003 0.00000
470 0.0722 0.00000
471 0.2444 0.00000
472 0.1031 0.00000
473 0.0144 0.00000
474 -0.1069 0.00000
475 -0.2215 0.00000
476 0.0067 0.00000
477 0.0907 0.00000
478 0.1648 0.00000
479 0.0246 0.00000
480 0.0372 0.00000
481 0.0425 0.00000
482 -0.0348 0.00000
483 -0.0575 0.00000
484 0.1542 0.00000
485 0.0857 0.00000
486 0.0038 0.00000
487 -0.1502 0.00000
488 0.0799 0.00000
489 0.0282 0.00000
490 0.0278 0.00000
491 0.0496 0.00000
492 0.3131 0.00000
493 -0.0142 0.00000
494 0.1426 0.00000
495 0.0237 0.00000
496 0.2191 0.00000
497 0.0398 0.00000
498 -0.0214 0.00000
499 -0.0499 0.00000
500 0.0439 0.00000
501 0.0264 0.00000
502 0.0206 0.00000
503 0.0423 0.00000
504 0.0560 0.00000
505 0.0037 0.00000
506 0.0379 0.00000
507 -0.1223 0.00000
508 -0.1426 0.00000
509 0.0990 0.00000
510 0.0211 0.00000
511 -0.0116 0.00000
512 -0.0424 0.00000
513 -0.0404 0.00000
514 0.0063 0.00000
515 0.0288 0.00000
516 0.0718 0.00000
517 0.0291 0.00000
518 0.0642 0.00000
519 0.0780 0.00000
520 0.1257 0.00000
521 0.0217 0.00000
522 0.1166 0.00000
523 -0.0785 0.00000
524 0.0629 0.00000
525 0.0351 0.00000
526 -0.0130 0.00000
527 0.0610 0.00000
528 0.1146 0.00000
529 -0.0063 0.00000
530 0.1545 0.00000
531 0.0655 0.00000
532 -0.1319 0.00000
533 0.0512 0.00000
534 -0.0017 0.00000
535 0.0667 0.00000
536 0.1242 0.00000
537 0.1717 0.00000
538 0.0082 0.00000
539 -0.0213 0.00000
540 0.0425 0.00000
541 0.0015 0.00000
542 0.0573 0.00000
543 0.0222 0.00000
544 0.0093 0.00000
545 0.1407 0.00000
546 -0.0938 0.00000
547 0.0347 0.00000
548 -0.0558 0.00000
549 -0.0132 0.00000
550 0.0330 0.00000
551 0.0810 0.00000
552 -0.0050 0.00000
553 -0.0355 0.00000
554 -0.0152 0.00000
555 -0.0140 0.00000
556 -0.0632 0.00000
557 -0.0399 0.00000
558 -0.0040 0.00000
559 0.1766 0.00000
560 -0.2251 0.00000
561 0.0169 0.00000
562 0.0362 0.00000
563 -0.0408 0.00000
564 0.0213 0.00000
565 -0.1123 0.00000
566 0.0298 0.00000
567 0.0348 0.00000
568 -0.0803 0.00000
569 -0.4200 0.00000
570 -0.0282 0.00000
571 -0.0386 0.00000
572 -0.0212 0.00000
573 -0.0323 0.00000
574 0.0970 0.00000
575 -0.1147 0.00000
576 0.0149 0.00000
577 -0.2453 0.00000
578 0.0920 0.00000
579 -0.1972 0.00000
580 0.0743 0.00000
581 0.0513 0.00000
582 -0.0176 0.00000
583 0.0549 0.00000
584 0.3952 0.00000
585 -0.0107 0.00000
586 0.0823 0.00000
587 0.0569 0.00000
588 0.0956 0.00000
589 -0.1290 0.00000
590 0.0934 0.00000
591 -0.0180 0.00000
592 0.0152 0.00000
593 -0.0886 0.00000
594 -0.0488 0.00000
595 -0.0466 0.00000
596 -0.0691 0.00000
597 -0.0687 0.00000
598 -0.0190 0.00000
599 0.0862 0.00000
600 0.0699 0.00000
601 -0.0024 0.00000
602 -0.1174 0.00000
603 0.0749 0.00000
604 -0.0763 0.00000
605 0.0426 0.00000
606 0.1127 0.00000
607 0.0231 0.00000
608 -0.1173 0.00000
609 -0.0301 0.00000
610 -0.0654 0.00000
611 -0.0259 0.00000
612 0.0119 0.00000
613 -0.0307 0.00000
614 0.0520 0.00000
615 0.0151 0.00000
616 -0.0565 0.00000
617 -0.0283 0.00000
618 0.0290 0.00000
619 0.0332 0.00000
620 -0.0311 0.00000
621 -0.0580 0.00000
622 -0.0365 0.00000
623 -0.0469 0.00000
624 -0.0087 0.00000
625 0.0142 0.00000
626 -0.0201 0.00000
627 0.0193 0.00000
628 0.0285 0.00000
629 -0.0374 0.00000
630 -0.1371 0.00000
631 -0.0318 0.00000
632 0.0072 0.00000
633 -0.0642 0.00000
634 0.0016 0.00000
635 -0.0381 0.00000
636 0.0404 0.00000
637 -0.0139 0.00000
638 0.0565 0.00000
639 -0.0082 0.00000
640 0.0038 0.00000
641 0.0700 0.00000
642 -0.0504 0.00000
643 0.0306 0.00000
644 -0.0243 0.00000
645 0.0143 0.00000
646 0.0466 0.00000
647 -0.0079 0.00000
648 0.0463 0.00000
649 0.0153 0.00000
650 -0.0584 0.00000
651 0.0238 0.00000
652 -0.0060 0.00000
653 -0.0319 0.00000
654 0.0367 0.00000
655 -0.0465 0.00000
656 0.0171 0.00000
657 0.0494 0.00000
658 -0.0157 0.00000
659 0.0339 0.00000
660 -0.0318 0.00000
661 0.0064 0.00000
662 -0.0341 0.00000
663 0.0170 0.00000
664 -0.0647 0.00000
665 0.0625 0.00000
666 0.0434 0.00000
667 0.0453 0.00000
668 -0.0396 0.00000
669 0.0591 0.00000
670 0.0555 0.00000
671 0.0299 0.00000
672 -0.0181 0.00000
673 0.0421 0.00000
674 0.0196 0.00000
675 0.0905 0.00000
676 -0.0598 0.00000
677 -0.0765 0.00000
678 0.0242 0.00000
679 -0.0134 0.00000
680 -0.0150 0.00000
681 -0.0036 0.00000
682 -0.0058 0.00000
683 -0.0256 0.00000
684 -0.0371 0.00000
685 0.0036 0.00000
686 0.0007 0.00000
687 0.0124 0.00000
688 -0.0072 0.00000
689 0.0422 0.00000
690 0.0915 0.00000
691 -0.1501 0.00000
692 -0.0947 0.00000
693 0.0047 0.00000
694 -0.0583 0.00000
695 -0.0109 0.00000
696 -0.0350 0.00000
697 0.0777 0.00000
698 0.0742 0.00000
699 0.0262 0.00000
700 0.0235 0.00000
701 -0.1210 0.00000
702 0.0280 0.00000
703 0.0461 0.00000
704 0.0320 0.00000
705 -0.0366 0.00000
706 -0.0323 0.00000
707 0.0372 0.00000
708 -0.0007 0.00000
709 0.0360 0.00000
710 0.0038 0.00000
711 0.0336 0.00000
712 0.0434 0.00000
713 0.0314 0.00000
714 -0.0017 0.00000
715 0.0269 0.00000
716 -0.0259 0.00000
717 -0.0450 0.00000
718 -0.0171 0.00000
719 0.0002 0.00000
720 0.0016 0.00000
721 0.0722 0.00000
722 0.0029 0.00000
723 0.0550 0.00000
724 0.0372 0.00000
725 -0.0431 0.00000
726 -0.0597 0.00000
727 -0.0087 0.00000
728 -0.0285 0.00000
729 0.0333 0.00000
730 0.0389 0.00000
731 0.0845 0.00000
732 -0.0106 0.00000
733 -0.0558 0.00000
734 -0.0478 0.00000
735 -0.0068 0.00000
736 0.0178 0.00000
737 0.0411 0.00000
738 -0.0383 0.00000
739 -0.0031 0.00000
740 -0.0432 0.00000
741 -0.0405 0.00000
742 -0.0059 0.00000
743 0.0284 0.00000
744 0.0098 0.00000
745 0.0624 0.00000
746 0.0047 0.00000
747 0.0279 0.00000
748 0.0023 0.00000
749 0.1152 0.00000
750 -0.0148 0.00000
751 0.0042 0.00000
752 -0.0424 0.00000
753 0.0236 0.00000
754 -0.0281 0.00000
755 -0.0162 0.00000
756 0.0502 0.00000
757 0.0421 0.00000
758 0.0136 0.00000
759 0.0214 0.00000
760 -0.0329 0.00000
761 0.0273 0.00000
762 0.0156 0.00000
763 0.0123 0.00000
764 0.0020 0.00000
765 0.0150 0.00000
766 0.0451 0.00000
767 -0.0060 0.00000
768 -0.0065 0.00000
769 -0.0316 0.00000
770 0.0229 0.00000
771 -0.0089 0.00000
772 0.0064 0.00000
773 -0.0258 0.00000
774 0.0208 0.00000
775 0.0337 0.00000
776 0.0278 0.00000
777 0.0130 0.00000
778 -0.0123 0.00000
779 0.0008 0.00000
780 0.0049 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.0887 0.00000
2 -0.0501 0.00000
3 0.0048 0.00000
4 -0.1458 0.00000
5 0.1316 0.00000
6 0.0424 0.00000
7 -0.0375 0.00000
8 0.0346 0.00000
9 0.1490 0.00000
10 0.0819 0.00000
11 -0.0722 0.00000
12 0.0615 0.00000
13 -0.2537 0.00000
14 -0.1410 0.00000
15 -0.0717 0.00000
16 0.0501 0.00000
17 -0.0302 0.00000
18 0.0415 0.00000
19 -0.0656 0.00000
20 -0.3744 0.00000
21 -0.1539 0.00000
22 -0.0480 0.00000
23 0.0927 0.00000
24 0.0570 0.00000
25 0.1133 0.00000
26 0.5039 0.00000
27 0.3753 0.00000
28 0.0256 0.00000
29 -0.1599 0.00000
30 -0.2134 0.00000
31 0.0722 0.00000
32 0.0815 0.00000
33 0.0815 0.00000
34 0.1010 0.00000
35 0.0482 0.00000
36 0.0309 0.00000
37 0.0398 0.00000
38 0.1183 0.00000
39 0.0555 0.00000
40 0.0023 0.00000
41 0.1401 0.00000
42 -0.0485 0.00000
43 0.1044 0.00000
44 -0.6204 0.00000
45 -1.6737 0.00000
46 -0.1664 0.00000
47 0.0139 0.00000
48 0.0522 0.00000
49 0.0907 0.00000
50 0.0125 0.00000
51 0.0700 0.00000
52 0.1394 0.00000
53 0.0119 0.00000
54 0.1435 0.00000
55 0.0698 0.00000
56 0.2225 0.00000
57 -0.2660 0.00000
58 0.1004 0.00000
59 0.0579 0.00000
60 0.5898 0.00000
61 0.0013 0.00000
62 0.3050 0.00000
63 0.1360 0.00000
64 0.1937 0.00000
65 0.2058 0.00000
66 0.3617 0.00000
67 0.0824 0.00000
68 0.1696 0.00000
69 0.0450 0.00000
70 0.0614 0.00000
71 0.2599 0.00000
72 0.1219 0.00000
73 0.0517 0.00000
74 0.0353 0.00000
75 -0.0556 0.00000
76 0.0868 0.00000
77 0.0223 0.00000
78 0.1449 0.00000
79 -0.4055 0.00000
80 -0.0034 0.00000
81 -0.1018 0.00000
82 0.1270 0.00000
83 0.0256 0.00000
84 -0.0419 0.00000
85 -0.0180 0.00000
86 -0.0654 0.00000
87 -0.0476 0.00000
88 -0.0746 0.00000
89 0.0074 0.00000
90 -0.3155 0.00000
91 -0.2595 0.00000
92 -0.2084 0.00000
93 0.0591 0.00000
94 0.0918 0.00000
95 0.0017 0.00000
96 0.1146 0.00000
97 -0.1032 0.00000
98 -0.0284 0.00000
99 0.0476 0.00000
100 0.0353 0.00000
101 -0.0475 0.00000
102 0.0993 0.00000
103 -0.0444 0.00000
104 0.1330 0.00000
105 -0.2079 0.00000
106 0.0856 0.00000
107 0.2442 0.00000
108 0.0133 0.00000
109 0.2790 0.00000
110 0.0113 0.00000
111 0.1078 0.00000
112 0.0598 0.00000
113 0.0517 0.00000
114 -0.3469 0.00000
115 0.2915 0.00000
116 -0.0279 0.00000
117 0.1522 0.00000
118 0.0740 0.00000
119 0.1159 0.00000
120 0.0436 0.00000
121 0.0782 0.00000
122 -0.3019 0.00000
123 0.0678 0.00000
124 0.2141 0.00000
125 0.0127 0.00000
126 -0.1449 0.00000
127 -0.0229 0.00000
128 -0.0555 0.00000
129 0.1556 0.00000
130 -0.1160 0.00000
131 0.0431 0.00000
132 -0.1945 0.00000
133 0.0718 0.00000
134 -0.1910 0.00000
135 0.0077 0.00000
136 -0.3443 0.00000
137 -0.0122 0.00000
138 0.4655 0.00000
139 -0.0125 0.00000
140 0.0018 0.00000
141 -0.3988 0.00000
142 0.0604 0.00000
143 0.0048 0.00000
144 0.0433 0.00000
145 0.0351 0.00000
146 0.0593 0.00000
147 0.0081 0.00000
148 -0.0485 0.00000
149 0.1626 0.00000
150 -0.0303 0.00000
151 0.0694 0.00000
152 0.0622 0.00000
153 -0.0072 0.00000
154 0.2876 0.00000
155 0.1998 0.00000
156 0.0142 0.00000
157 0.0427 0.00000
158 0.0238 0.00000
159 0.3873 0.00000
160 -0.0164 0.00000
161 0.1557 0.00000
162 0.0275 0.00000
163 0.1431 0.00000
164 0.0446 0.00000
165 -0.3627 0.00000
166 -0.0534 0.00000
167 0.3266 0.00000
168 0.0003 0.00000
169 0.0293 0.00000
170 0.0688 0.00000
171 -0.6839 0.00000
172 0.0458 0.00000
173 0.0720 0.00000
174 -0.0283 0.00000
175 -0.0270 0.00000
176 -0.0017 0.00000
177 -0.0183 0.00000
178 0.0134 0.00000
179 -0.0788 0.00000
180 -0.0596 0.00000
181 -0.1070 0.00000
182 -0.2971 0.00000
183 -0.1174 0.00000
184 -0.1864 0.00000
185 -0.0644 0.00000
186 -0.3187 0.00000
187 0.0691 0.00000
188 -0.0755 0.00000
189 0.0174 0.00000
190 0.0486 0.00000
191 -0.0227 0.00000
192 0.0725 0.00000
193 0.0891 0.00000
194 0.0906 0.00000
195 0.2139 0.00000
196 0.1881 0.00000
197 0.0780 0.00000
198 0.3450 0.00000
199 -0.0220 0.00000
200 0.1966 0.00000
201 0.0564 0.00000
202 0.1759 0.00000
203 -0.0464 0.00000
204 0.0899 0.00000
205 0.0316 0.00000
206 0.1774 0.00000
207 0.0792 0.00000
208 0.0509 0.00000
209 0.0570 0.00000
210 -0.0139 0.00000
211 -0.0736 0.00000
212 -0.0027 0.00000
213 0.0798 0.00000
214 0.0861 0.00000
215 0.0613 0.00000
216 -0.0073 0.00000
217 0.0425 0.00000
218 -0.2153 0.00000
219 0.1011 0.00000
220 -0.0110 0.00000
221 0.0254 0.00000
222 0.0491 0.00000
223 0.0203 0.00000
224 0.1226 0.00000
225 0.2076 0.00000
226 0.1399 0.00000
227 -0.0907 0.00000
228 0.0246 0.00000
229 0.1306 0.00000
230 0.0641 0.00000
231 -0.0839 0.00000
232 -0.2680 0.00000
233 -0.2362 0.00000
234 -0.3417 0.00000
235 -0.0506 0.00000
236 -0.0329 0.00000
237 -0.1536 0.00000
238 0.0227 0.00000
239 -0.0827 0.00000
240 -0.1003 0.00000
241 -0.2126 0.00000
242 -0.1153 0.00000
243 -0.2392 0.00000
244 0.0840 0.00000
245 -0.0555 0.00000
246 -0.0656 0.00000
247 -0.0724 0.00000
248 0.0148 0.00000
249 -0.0806 0.00000
250 -0.0767 0.00000
251 -0.0548 0.00000
252 0.0477 0.00000
253 0.0820 0.00000
254 0.0272 0.00000
255 -0.0168 0.00000
256 0.1285 0.00000
257 0.0480 0.00000
258 0.0970 0.00000
259 0.0938 0.00000
260 0.1532 0.00000
261 0.0474 0.00000
262 0.0014 0.00000
263 -0.0182 0.00000
264 0.1201 0.00000
265 -0.0130 0.00000
266 -0.1268 0.00000
267 0.0799 0.00000
268 -0.0630 0.00000
269 -0.0101 0.00000
270 -0.0459 0.00000
271 -0.0138 0.00000
272 0.0359 0.00000
273 0.0253 0.00000
274 0.0413 0.00000
275 -0.0572 0.00000
276 -0.1029 0.00000
277 -0.0737 0.00000
278 -0.1436 0.00000
279 -0.0051 0.00000
280 -0.1581 0.00000
281 -0.0499 0.00000
282 -0.0028 0.00000
283 -0.0975 0.00000
284 0.0229 0.00000
285 -0.0259 0.00000
286 0.1338 0.00000
287 -0.0090 0.00000
288 0.0128 0.00000
289 -0.0046 0.00000
290 -0.0588 0.00000
291 0.0576 0.00000
292 -0.0608 0.00000
293 0.1710 0.00000
294 0.0606 0.00000
295 0.0321 0.00000
296 0.0650 0.00000
297 0.0590 0.00000
298 0.0472 0.00000
299 0.0236 0.00000
300 -0.0441 0.00000
301 0.2247 0.00000
302 0.0353 0.00000
303 0.0260 0.00000
304 0.0743 0.00000
305 -0.0150 0.00000
306 0.0177 0.00000
307 -0.0052 0.00000
308 0.0453 0.00000
309 0.0771 0.00000
310 -0.0338 0.00000
311 0.0359 0.00000
312 -0.0797 0.00000
313 0.0330 0.00000
314 -0.0109 0.00000
315 0.0085 0.00000
316 -0.0062 0.00000
317 0.0084 0.00000
318 0.0102 0.00000
319 0.0669 0.00000
320 -0.0063 0.00000
321 -0.1190 0.00000
322 0.1481 0.00000
323 0.0197 0.00000
324 -0.0970 0.00000
325 0.0109 0.00000
326 -0.0134 0.00000
327 0.0168 0.00000
328 0.0155 0.00000
329 0.0538 0.00000
330 0.0216 0.00000
331 -0.0798 0.00000
332 0.0091 0.00000
333 0.0730 0.00000
334 -0.1774 0.00000
335 -0.0517 0.00000
336 0.0721 0.00000
337 -0.0515 0.00000
338 -0.0462 0.00000
339 -0.0497 0.00000
340 0.1224 0.00000
341 -0.0659 0.00000
342 0.0172 0.00000
343 -0.0077 0.00000
344 -0.0140 0.00000
345 -0.0356 0.00000
346 0.0344 0.00000
347 -0.0108 0.00000
348 -0.0053 0.00000
349 -0.0318 0.00000
350 0.0617 0.00000
351 0.0203 0.00000
352 0.0411 0.00000
353 0.1158 0.00000
354 -0.0046 0.00000
355 0.0256 0.00000
356 -0.0134 0.00000
357 0.0629 0.00000
358 -0.0347 0.00000
359 -0.0235 0.00000
360 0.0851 0.00000
361 0.0347 0.00000
362 0.0521 0.00000
363 0.0180 0.00000
364 0.0249 0.00000
365 -0.0827 0.00000
366 0.0120 0.00000
367 0.0064 0.00000
368 -0.0183 0.00000
369 0.0102 0.00000
370 0.0599 0.00000
371 0.0766 0.00000
372 0.1512 0.00000
373 -0.0433 0.00000
374 0.0271 0.00000
375 0.1691 0.00000
376 0.0035 0.00000
377 -0.0667 0.00000
378 -0.0573 0.00000
379 0.0305 0.00000
380 -0.2912 0.00000
381 -0.0946 0.00000
382 0.0267 0.00000
383 0.0616 0.00000
384 -0.1018 0.00000
385 0.0696 0.00000
386 -0.0223 0.00000
387 -0.0268 0.00000
388 -0.0143 0.00000
389 -0.0020 0.00000
390 -0.0325 0.00000
391 0.0239 0.00000
392 -0.0245 0.00000
393 0.0289 0.00000
394 0.0017 0.00000
395 0.0722 0.00000
396 0.1126 0.00000
397 0.0592 0.00000
398 0.0426 0.00000
399 0.0129 0.00000
400 0.0409 0.00000
401 0.0061 0.00000
402 0.0138 0.00000
403 -0.0067 0.00000
404 -0.0095 0.00000
405 0.0693 0.00000
406 -0.0075 0.00000
407 0.0383 0.00000
408 0.1467 0.00000
409 0.0212 0.00000
410 0.0557 0.00000
411 0.0090 0.00000
412 -0.0092 0.00000
413 0.1001 0.00000
414 0.0732 0.00000
415 -0.2730 0.00000
416 -0.0646 0.00000
417 -0.0041 0.00000
418 0.0017 0.00000
419 -0.0417 0.00000
420 0.0689 0.00000
421 -0.0974 0.00000
422 0.1194 0.00000
423 -0.1089 0.00000
424 0.1028 0.00000
425 -0.1141 0.00000
426 -0.0573 0.00000
427 0.1007 0.00000
428 -0.0661 0.00000
429 0.1367 0.00000
430 0.0353 0.00000
431 -0.0301 0.00000
432 0.0752 0.00000
433 -0.0978 0.00000
434 0.0409 0.00000
435 0.0533 0.00000
436 0.0667 0.00000
437 -0.0466 0.00000
438 0.0146 0.00000
439 0.0310 0.00000
440 -0.0444 0.00000
441 0.0782 0.00000
442 -0.0234 0.00000
443 0.1786 0.00000
444 -0.2857 0.00000
445 -0.0824 0.00000
446 0.0801 0.00000
447 -0.0023 0.00000
448 0.0513 0.00000
449 -0.0201 0.00000
450 -0.2141 0.00000
451 -0.0290 0.00000
452 0.0062 0.00000
453 -0.0058 0.00000
454 0.0725 0.00000
455 0.0071 0.00000
456 0.0400 0.00000
457 -0.1557 0.00000
458 -0.0095 0.00000
459 -0.0211 0.00000
460 0.0722 0.00000
461 -0.1072 0.00000
462 -0.1036 0.00000
463 0.0348 0.00000
464 0.0368 0.00000
465 0.0252 0.00000
466 0.0829 0.00000
467 0.2099 0.00000
468 -0.0083 0.00000
469 0.0872 0.00000
470 0.1089 0.00000
471 0.1213 0.00000
472 0.1526 0.00000
473 0.0112 0.00000
474 0.0404 0.00000
475 -0.4261 0.00000
476 0.1122 0.00000
477 -0.0081 0.00000
478 0.1450 0.00000
479 0.0567 0.00000
480 0.1172 0.00000
481 -0.0470 0.00000
482 -0.0516 0.00000
483 -0.0042 0.00000
484 0.1982 0.00000
485 -0.1249 0.00000
486 0.0920 0.00000
487 0.0335 0.00000
488 0.0182 0.00000
489 0.0410 0.00000
490 0.1238 0.00000
491 -0.0122 0.00000
492 0.0379 0.00000
493 0.0550 0.00000
494 0.1562 0.00000
495 0.0187 0.00000
496 0.2452 0.00000
497 0.1279 0.00000
498 -0.0921 0.00000
499 -0.0293 0.00000
500 0.0430 0.00000
501 0.0195 0.00000
502 -0.0041 0.00000
503 0.0152 0.00000
504 0.0044 0.00000
505 -0.0533 0.00000
506 0.1854 0.00000
507 0.0216 0.00000
508 0.0099 0.00000
509 -0.0437 0.00000
510 0.0251 0.00000
511 -0.0963 0.00000
512 0.0100 0.00000
513 0.0239 0.00000
514 0.0336 0.00000
515 0.0407 0.00000
516 0.1075 0.00000
517 0.0715 0.00000
518 -0.0591 0.00000
519 0.1383 0.00000
520 -0.0015 0.00000
521 0.0609 0.00000
522 0.1365 0.00000
523 -0.0228 0.00000
524 -0.0845 0.00000
525 0.0787 0.00000
526 -0.0038 0.00000
527 0.1043 0.00000
528 -0.0145 0.00000
529 0.0855 0.00000
530 -0.0582 0.00000
531 0.0979 0.00000
532 -0.0010 0.00000
533 -0.0043 0.00000
534 0.0733 0.00000
535 -0.0449 0.00000
536 -0.1662 0.00000
537 0.1468 0.00000
538 0.0171 0.00000
539 0.0868 0.00000
540 0.1492 0.00000
541 0.0582 0.00000
542 0.0411 0.00000
543 0.0925 0.00000
544 -0.0221 0.00000
545 0.1015 0.00000
546 -0.0212 0.00000
547 -0.0222 0.00000
548 0.0283 0.00000
549 -0.0028 0.00000
550 0.1284 0.00000
551 0.0777 0.00000
552 0.0676 0.00000
553 -0.1826 0.00000
554 -0.0683 0.00000
555 0.0106 0.00000
556 0.0031 0.00000
557 0.0497 0.00000
558 -0.1344 0.00000
559 0.0205 0.00000
560 0.0856 0.00000
561 -0.0291 0.00000
562 -0.0064 0.00000
563 -0.1034 0.00000
564 0.0674 0.00000
565 -0.1672 0.00000
566 -0.0518 0.00000
567 -0.0527 0.00000
568 -0.3064 0.00000
569 0.0648 0.00000
570 -0.0586 0.00000
571 -0.0675 0.00000
572 0.0163 0.00000
573 -0.1171 0.00000
574 -0.0300 0.00000
575 0.0128 0.00000
576 -0.0103 0.00000
577 -0.1373 0.00000
578 0.0119 0.00000
579 -0.0542 0.00000
580 -0.0409 0.00000
581 0.0512 0.00000
582 0.0082 0.00000
583 -0.0668 0.00000
584 0.4626 0.00000
585 0.0220 0.00000
586 0.0385 0.00000
587 0.0623 0.00000
588 0.0979 0.00000
589 -0.1289 0.00000
590 0.0907 0.00000
591 -0.0176 0.00000
592 0.0194 0.00000
593 -0.0877 0.00000
594 -0.0488 0.00000
595 -0.0466 0.00000
596 -0.0691 0.00000
597 -0.0687 0.00000
598 -0.0159 0.00000
599 0.0843 0.00000
600 0.0594 0.00000
601 0.0391 0.00000
602 -0.0849 0.00000
603 -0.0042 0.00000
604 -0.0872 0.00000
605 0.1250 0.00000
606 0.0397 0.00000
607 -0.0975 0.00000
608 -0.0306 0.00000
609 -0.0164 0.00000
610 0.0013 0.00000
611 -0.0167 0.00000
612 -0.0382 0.00000
613 -0.0300 0.00000
614 0.0044 0.00000
615 0.0220 0.00000
616 0.0060 0.00000
617 0.0105 0.00000
618 -0.0081 0.00000
619 -0.0946 0.00000
620 0.0004 0.00000
621 0.0740 0.00000
622 -0.0122 0.00000
623 -0.0681 0.00000
624 0.0478 0.00000
625 -0.0095 0.00000
626 -0.0583 0.00000
627 0.0004 0.00000
628 -0.1269 0.00000
629 0.0093 0.00000
630 -0.0673 0.00000
631 -0.0204 0.00000
632 0.0270 0.00000
633 -0.0140 0.00000
634 0.0086 0.00000
635 0.0279 0.00000
636 0.0508 0.00000
637 -0.1232 0.00000
638 -0.0137 0.00000
639 -0.0363 0.00000
640 -0.0264 0.00000
641 0.0340 0.00000
642 -0.0525 0.00000
643 0.0810 0.00000
644 0.0429 0.00000
645 -0.0156 0.00000
646 0.0303 0.00000
647 0.0154 0.00000
648 0.0294 0.00000
649 0.0115 0.00000
650 0.0299 0.00000
651 -0.0287 0.00000
652 -0.0194 0.00000
653 0.0317 0.00000
654 0.0111 0.00000
655 -0.0090 0.00000
656 -0.0059 0.00000
657 0.0093 0.00000
658 -0.0191 0.00000
659 -0.0159 0.00000
660 -0.0048 0.00000
661 0.0348 0.00000
662 0.0064 0.00000
663 0.0219 0.00000
664 -0.0018 0.00000
665 0.0306 0.00000
666 -0.0525 0.00000
667 -0.0213 0.00000
668 -0.0142 0.00000
669 0.1666 0.00000
670 0.0357 0.00000
671 -0.0289 0.00000
672 0.0084 0.00000
673 -0.0296 0.00000
674 -0.0157 0.00000
675 -0.0153 0.00000
676 -0.0052 0.00000
677 0.0391 0.00000
678 0.0503 0.00000
679 -0.0272 0.00000
680 0.0085 0.00000
681 -0.0314 0.00000
682 0.1104 0.00000
683 -0.0797 0.00000
684 -0.0369 0.00000
685 0.0377 0.00000
686 0.0380 0.00000
687 -0.0158 0.00000
688 0.1136 0.00000
689 -0.0411 0.00000
690 -0.0686 0.00000
691 -0.0232 0.00000
692 -0.0058 0.00000
693 -0.0306 0.00000
694 0.0542 0.00000
695 -0.0511 0.00000
696 -0.0528 0.00000
697 0.0183 0.00000
698 0.0285 0.00000
699 -0.0160 0.00000
700 0.0290 0.00000
701 0.0249 0.00000
702 -0.0428 0.00000
703 0.0043 0.00000
704 -0.0011 0.00000
705 -0.0420 0.00000
706 0.0387 0.00000
707 0.0245 0.00000
708 0.0393 0.00000
709 -0.0719 0.00000
710 0.0355 0.00000
711 -0.0223 0.00000
712 0.0741 0.00000
713 -0.0585 0.00000
714 0.0483 0.00000
715 0.0225 0.00000
716 0.0118 0.00000
717 0.0077 0.00000
718 0.0298 0.00000
719 -0.0120 0.00000
720 -0.0298 0.00000
721 -0.0189 0.00000
722 0.0160 0.00000
723 -0.0282 0.00000
724 0.0305 0.00000
725 0.0028 0.00000
726 -0.0408 0.00000
727 -0.0067 0.00000
728 -0.0105 0.00000
729 0.0806 0.00000
730 -0.1293 0.00000
731 -0.0229 0.00000
732 -0.0228 0.00000
733 -0.0232 0.00000
734 0.0215 0.00000
735 0.0492 0.00000
736 -0.0416 0.00000
737 0.0231 0.00000
738 0.0402 0.00000
739 0.0475 0.00000
740 0.0491 0.00000
741 -0.0241 0.00000
742 0.0635 0.00000
743 0.0416 0.00000
744 0.0390 0.00000
745 0.0135 0.00000
746 0.0300 0.00000
747 -0.0221 0.00000
748 -0.0548 0.00000
749 0.0148 0.00000
750 0.0302 0.00000
751 -0.0018 0.00000
752 0.0062 0.00000
753 0.0131 0.00000
754 -0.0350 0.00000
755 -0.0070 0.00000
756 0.0731 0.00000
757 -0.0013 0.00000
758 0.0049 0.00000
759 0.0383 0.00000
760 0.0054 0.00000
761 0.0127 0.00000
762 0.0135 0.00000
763 0.0122 0.00000
764 -0.0590 0.00000
765 0.0269 0.00000
766 0.0188 0.00000
767 0.0485 0.00000
768 0.0014 0.00000
769 -0.0418 0.00000
770 0.0122 0.00000
771 0.0270 0.00000
772 0.0014 0.00000
773 0.0125 0.00000
774 0.0044 0.00000
775 -0.0248 0.00000
776 0.0333 0.00000
777 0.0485 0.00000
778 -0.0189 0.00000
779 -0.0032 0.00000
780 -0.0090 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 4 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
9.00665 0.20803-15.53447
0.20855 -1.34649 -3.46726
-15.53434 -3.46712 -1.72106
POSITION FORCE-CONSTANT FOR ION 4 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.156500 0.724879 0.606518
4.30302 2.15352 7.05746 0.060381 -0.081611 0.307001
1.30883 4.06731 2.03161 3.714670 0.407742 2.727600
3.96992 4.32885 4.13194 -32.459624 0.970307 2.369969
1.29275 3.05683 8.10201 -0.198666 0.208489 -0.164473
3.79636 1.47547 14.70421 -0.190176 0.052103 0.104120
1.24643 4.63551 10.86193 -0.044499 0.046195 -0.108631
3.89005 4.20092 12.88287 -0.103068 -0.022398 -0.017017
1.04482 6.69020 17.44020 -0.008629 -0.812433 0.708280
3.77370 7.04599 6.61024 -0.609342 -0.360225 -0.477071
0.71312 9.21049 2.53845 0.004629 -0.171209 -0.044702
3.86880 9.70388 4.59023 -0.171377 -0.256125 0.209247
1.19399 7.29663 8.75952 0.176464 -0.032764 -0.231038
4.14925 6.52609 15.71477 -0.429079 0.094170 -0.137370
1.16791 10.19708 10.50563 -0.026809 -0.104929 -0.069496
3.90202 11.30466 11.97145 -0.063542 -0.008238 -0.019814
1.41963 13.48240 16.88000 -0.035896 0.028328 0.086253
3.89470 12.50036 6.39588 -0.075864 -0.071694 -0.040973
1.24092 15.65995 2.03746 0.009122 0.168420 -0.063638
3.45676 13.88732 3.60018 -0.121617 0.010213 -0.012634
1.37686 12.90671 8.69683 -0.015652 -0.034178 -0.001292
4.20896 12.98001 14.89140 -0.094588 0.011001 -0.005780
1.28271 15.54574 11.35729 -0.021977 0.002223 -0.015928
4.02704 16.14416 13.12883 -0.065711 0.014049 0.028855
8.51844 2.13686 0.32759 0.578826 -0.285243 -0.229585
10.42520 1.68659 6.72748 0.093363 -0.125507 0.153574
6.89192 4.41938 2.41726 4.378620 0.225258 -2.624923
10.22536 4.35381 4.16682 0.893990 0.182840 0.065886
7.19238 2.15284 8.75827 -0.065940 -0.018218 0.133541
10.67141 2.29852 15.08728 0.258886 -0.069295 -0.130923
7.24075 4.59797 11.01224 -0.047089 0.079779 0.024540
10.30176 4.56419 12.61212 0.014791 0.062617 -0.081580
6.40057 6.85176 0.36515 -0.546814 0.823996 -0.964837
9.75325 6.62606 6.90745 0.002994 0.125242 0.231038
6.24007 9.67823 1.67645 -0.059333 0.341119 0.120535
6.65558 7.06042 8.79421 -0.186710 -0.063469 0.020920
11.80692 6.94639 14.05727 0.081838 0.027163 0.004905
6.39955 9.97659 10.34026 -0.040566 0.009653 0.006278
11.03265 10.16848 13.84914 0.038050 0.013950 -0.028919
6.77345 12.10505 16.99256 -0.031436 0.041520 -0.078229
10.32223 13.09442 6.99099 0.011095 -0.016871 0.044523
10.59365 15.96480 4.77521 0.099689 -0.060515 -0.014743
6.94250 12.79247 7.88185 -0.058105 -0.016930 -0.009817
10.18654 12.31147 16.08279 0.065148 -0.002365 0.007236
7.13888 17.01345 11.20310 -0.038446 -0.026176 0.028755
10.37682 0.23169 12.64835 0.033383 -0.038329 -0.073139
13.24904 1.54346 17.14370 0.224009 -0.011736 0.016853
15.89410 1.64185 6.44545 0.124283 0.191478 -0.201257
12.98857 4.28042 2.14546 0.475460 0.029241 -0.028649
15.96785 4.32998 4.48967 0.652734 -0.164314 -0.465269
13.27097 1.52537 8.57426 0.242478 -0.003422 -0.000914
16.03461 1.53130 15.21659 0.177733 -0.027307 0.084903
13.37701 3.97590 10.80799 0.092741 0.009780 0.012034
16.23421 4.17555 13.11475 0.064999 0.016735 0.051566
13.12188 6.75851 16.83328 0.134004 0.002763 0.008013
16.15350 6.82329 6.57280 0.167697 -0.170846 -0.157331
13.80451 11.28726 3.11364 0.120339 -0.044296 0.022366
16.01530 9.31599 4.57229 0.132017 -0.121586 -0.000698
16.24774 6.95131 14.97400 0.181528 -0.036537 0.134753
13.37358 11.10317 11.33384 0.064363 -0.012199 0.007276
16.26481 10.28310 12.82929 0.056154 -0.039182 0.011908
13.02958 12.87265 0.34345 0.079701 -0.017337 0.009092
15.63587 13.81058 6.90598 0.052214 0.008606 -0.053664
13.11026 15.86276 1.91698 0.113924 -0.040898 -0.005498
16.04847 15.98249 4.25314 0.084634 0.108042 -0.002642
12.92950 13.50280 9.01948 0.077159 -0.001644 -0.001841
16.03470 13.24150 15.21399 0.053970 0.000052 0.003749
13.00717 16.52927 10.76204 0.074915 -0.028259 -0.007176
15.92967 15.85673 13.13419 0.028920 0.031849 0.035994
1.86054 17.36365 1.29865 0.021881 -0.129821 0.010703
4.17830 2.73136 5.21241 3.039043 -0.614134 0.264724
3.26426 5.75851 5.24301 2.955223 -0.759146 -0.143372
17.49829 1.67854 7.58538 0.009908 -0.041972 0.047416
1.16532 17.05709 10.27678 0.005562 -0.006877 0.009545
3.43296 5.28736 14.40974 0.054427 -0.019646 -0.002667
5.78979 4.58179 12.35127 0.033961 -0.001814 -0.010185
2.66622 1.96025 16.18884 0.130014 -0.060935 -0.175149
17.32027 0.89679 16.51550 -0.008732 -0.075778 -0.125055
0.46199 8.18893 0.93413 0.041215 0.125967 -0.056508
5.39231 10.11127 3.40660 0.066282 -0.016100 -0.066450
2.32066 9.80687 3.44943 0.049759 0.049753 0.002548
4.91964 7.92130 14.71679 0.076749 -0.022797 0.023668
2.68710 7.23238 16.69438 0.117232 0.059162 -0.095553
0.01020 10.88204 2.02154 0.002545 0.030320 0.017402
4.21835 0.28129 6.98759 -0.026350 0.039022 -0.050475
17.23783 13.81793 8.03064 0.003259 0.002352 0.005111
4.79582 14.66186 14.12172 0.022127 -0.001789 -0.004119
1.82404 14.00413 10.26937 0.008563 0.004563 0.006180
5.26768 16.92854 11.79676 0.033070 0.011741 -0.016316
10.96027 2.96124 5.34122 -0.143167 -0.010002 -0.109091
6.97457 3.04582 1.08259 -0.689211 0.336965 0.607428
10.16898 6.05361 5.08582 -0.118759 -0.087422 -0.124940
8.34039 4.05066 3.68939 -0.968081 0.060714 -0.075701
8.74489 2.42632 7.55292 0.021719 0.028841 -0.035036
7.18775 0.35634 9.46384 0.024589 0.025637 -0.036002
11.47395 4.04892 11.19556 -0.022831 -0.004301 0.011548
9.15080 2.77757 16.12393 -0.169200 0.087059 0.130124
7.98734 0.36277 0.04247 -0.129743 0.112898 0.065004
8.09306 7.37877 7.53063 0.063585 -0.026203 -0.056482
5.20414 6.37683 7.73407 0.257133 0.130140 0.232982
12.25313 11.32613 12.87115 -0.014561 -0.004469 0.010232
7.88582 9.71337 11.41294 0.008951 -0.000654 0.000973
7.90588 7.26091 16.85699 0.047483 -0.117456 0.147483
11.07224 14.64349 6.08452 -0.007995 0.020673 -0.009424
9.97410 0.03402 5.82220 -0.008793 0.041258 0.005542
11.77786 16.49122 3.26041 -0.042563 0.017456 0.032288
6.65717 11.67689 9.40508 0.017249 0.004319 0.000881
7.76961 15.24886 11.07941 0.011075 0.007855 -0.010126
8.52712 0.41686 12.29829 0.014667 0.009626 0.003634
13.11181 17.12784 0.26607 -0.034371 0.003757 0.002512
13.20693 2.50512 1.34897 -0.071126 -0.012072 -0.004057
17.29335 3.71694 3.19979 -0.648672 -0.055535 -0.006673
14.20035 4.69758 3.69278 -0.220574 0.008575 -0.008403
14.59997 3.56179 12.23787 -0.033144 -0.004831 -0.019020
13.57708 5.48481 0.72232 -0.058400 0.011375 -0.018515
12.29749 8.18631 0.22048 -0.013604 0.007783 -0.000105
16.86596 10.59176 5.62457 -0.005850 0.018831 0.008144
16.66958 8.43890 13.63905 -0.024254 0.016254 -0.017490
16.67265 11.67449 14.15979 -0.006734 0.007017 0.003483
14.70756 7.45696 15.98014 -0.056967 0.007619 0.006412
16.06899 0.34084 4.92526 -0.009886 -0.062414 0.001597
14.63768 15.41566 3.05858 -0.041010 -0.002813 -0.019064
12.21694 15.07373 9.87203 -0.012850 0.005241 0.000448
15.65466 0.14914 13.86557 -0.018762 -0.009673 -0.023207
14.35754 15.71932 11.91759 -0.015417 -0.001021 -0.012190
14.30081 12.83268 16.21967 -0.017113 0.001918 0.005846
8.77223 10.39607 2.47225 0.039193 0.031438 0.018570
12.91187 8.54216 10.48161 0.011766 0.004424 0.002580
8.49467 15.82840 2.99445 0.017608 -0.052600 0.030430
1.32045 2.68577 1.08043 -0.431821 -1.117966 -1.084440
5.44581 4.42337 3.31859 11.623528 0.911599 -5.235622
2.71895 4.15019 2.95898 6.568027 0.590470 4.049872
2.89361 2.63574 7.84048 0.360997 -0.124018 -0.164905
3.72928 2.61904 13.46082 0.064030 0.022778 -0.045303
1.12195 3.42722 9.72736 0.038211 -0.030029 0.076269
2.69176 4.49808 11.70258 0.081242 -0.012984 0.054065
1.13271 5.33613 0.95032 -0.524664 0.931403 -1.113400
4.03043 8.42197 5.67301 0.266232 0.619927 -0.190925
3.75157 11.03623 5.64253 0.044025 0.119554 0.018302
2.52170 7.25791 7.75547 -0.199646 0.149692 0.416658
17.39856 7.13193 7.68295 -0.042364 0.026131 0.048060
1.18188 6.06412 9.94036 -0.006207 -0.064097 0.094080
1.18202 8.73358 9.65531 -0.017258 0.115419 0.097339
3.91098 11.84592 13.59643 0.026220 0.009350 0.016108
5.12928 10.31683 11.41789 0.045908 -0.013188 -0.010407
2.50977 10.51875 11.46580 0.060410 0.029914 0.031786
17.45087 6.59897 16.12377 -0.163951 0.109625 -0.259192
3.55980 13.67281 5.25157 0.032146 0.023245 0.007786
1.28803 14.62748 0.64715 0.014678 -0.080875 -0.055256
4.98905 14.24610 3.11864 0.074744 0.017305 -0.013054
2.40264 15.06164 3.08512 0.080322 -0.069696 0.057831
2.72172 12.72875 7.62075 0.026138 0.013495 -0.000367
1.06333 11.39589 9.35618 0.012618 0.039551 -0.002451
3.61212 17.43666 14.11103 0.060242 -0.049654 -0.044171
2.61877 15.69429 12.36150 0.049714 0.004771 0.015863
2.80206 13.36593 15.83914 0.075706 -0.009525 -0.046649
17.47316 13.58140 16.05649 -0.019657 -0.005465 -0.021133
9.77890 2.08644 1.42003 -0.227397 0.087720 0.030946
11.39452 4.37239 2.86549 -0.573738 -0.028026 0.209735
5.75314 2.47184 7.89843 0.091376 0.033166 -0.023731
10.58974 3.42804 13.84178 -0.044390 -0.067116 0.131336
7.29963 3.26088 10.01774 0.027619 -0.052420 -0.068527
10.61644 6.04073 13.30213 -0.033825 -0.036060 0.001090
8.72282 4.57356 11.93667 0.024240 -0.013774 0.019569
6.87268 5.85394 1.60201 -0.459961 -1.139291 1.328689
10.69996 7.99849 7.09252 -0.029197 -0.076955 -0.071555
5.73707 8.23825 1.01832 0.130915 -0.374977 -0.012894
10.63831 11.82289 5.95914 -0.004912 -0.001518 -0.010765
12.27791 10.92294 3.59234 -0.059061 -0.006802 0.008943
7.82470 9.40720 2.06031 0.003488 -0.093854 -0.027285
7.06519 5.95381 10.03323 0.071537 -0.040483 0.046896
11.49637 8.56646 14.11248 -0.020648 -0.007792 0.006133
6.22218 8.54831 9.46647 0.050560 -0.005266 -0.006806
10.64255 10.88430 15.28736 -0.017968 0.003594 0.016125
5.27533 6.08183 16.89617 0.417282 -0.062738 0.389582
6.19392 10.87447 0.49133 0.017854 -0.090030 0.034329
6.63594 13.50144 0.40946 0.015141 0.007885 0.012542
9.20318 15.33527 4.12194 -0.046425 0.031273 -0.034457
8.65369 12.87516 7.41323 0.024415 0.005925 -0.012498
5.50203 12.61795 6.94111 0.078815 0.019190 0.027468
10.10713 13.64215 15.27789 -0.015571 0.010988 0.003241
10.67911 0.87544 14.08625 -0.027863 0.058806 0.083861
11.60356 17.20368 11.75834 -0.056716 0.027840 0.037673
8.39118 11.91622 16.60701 -0.011287 -0.011239 0.015027
5.50451 12.34914 15.80657 0.067877 -0.020004 0.044513
15.73327 3.04046 5.55542 -0.151305 -0.184027 0.239059
16.46394 5.60663 5.46979 -0.154124 0.162821 0.188473
14.52808 1.45286 7.47168 -0.163674 -0.027543 0.114224
11.79275 1.56088 7.78873 -0.173598 0.033194 -0.116049
13.32704 0.21681 9.64565 -0.033049 0.005085 -0.005014
16.41790 2.90736 14.26355 -0.032046 0.017624 -0.050873
13.45171 2.82808 9.57211 -0.047747 -0.007242 -0.006900
16.10069 5.57752 13.99343 -0.030757 -0.022825 -0.041558
0.00005 4.40711 11.99025 -0.014392 -0.011536 0.019493
14.62884 1.73967 16.17160 -0.154222 -0.003941 0.046272
11.98368 2.03831 16.06725 -0.182346 0.043722 -0.065583
15.63239 8.11986 5.68103 -0.049808 0.083118 -0.008605
17.11138 8.55854 3.60414 -0.054424 0.087376 0.031853
14.79559 9.98222 3.60061 -0.090308 0.065739 -0.037424
14.83832 6.40254 7.47085 -0.090086 0.005579 0.067877
10.26118 5.42988 7.96507 -0.027081 -0.006681 -0.070749
13.84142 5.42996 10.14226 -0.035361 -0.015394 0.015050
12.90067 9.94534 10.26834 -0.013535 -0.003843 -0.002167
17.40760 10.25314 11.57387 -0.009013 0.023063 0.017274
14.84553 10.65634 12.01294 -0.057608 0.020007 -0.023174
12.09160 6.31793 15.56215 -0.063452 -0.011328 -0.024831
13.66330 11.76838 1.50243 -0.032323 0.015732 -0.022906
15.90808 14.97969 5.66759 -0.019184 -0.047057 0.035501
12.90234 14.38066 1.10662 -0.030949 0.017453 0.002825
17.39979 15.79595 3.12260 -0.040916 -0.042513 0.034119
14.24465 13.87010 7.98683 -0.055199 -0.000299 0.035536
11.50975 12.98027 8.22780 -0.037857 0.000523 -0.029450
13.37751 12.44417 10.26044 -0.016457 0.007856 -0.003520
15.76289 14.59733 14.23402 -0.011089 -0.002883 -0.007861
17.35248 15.55367 12.27553 0.004335 -0.005426 -0.005890
11.51892 12.39014 17.28946 -0.057742 -0.008397 -0.017759
2.14782 0.44560 2.19550 -0.035221 0.045980 -0.030192
3.29477 2.11300 4.94555 0.061740 1.452253 -0.600629
2.45654 5.15830 5.71352 1.178064 -0.808296 -0.929573
17.13665 1.28635 8.55333 0.006914 -0.011488 0.005907
2.05496 17.16622 9.63831 0.001790 0.000834 -0.002088
2.76007 4.61458 14.97268 0.011557 0.006581 0.006676
5.82104 5.64963 12.65472 0.005307 0.000979 -0.006603
1.99867 2.73895 15.76239 0.008086 -0.008881 0.021375
16.62702 0.41219 17.23014 0.011199 0.006849 0.011216
0.53299 8.97932 0.15968 -0.020268 0.044331 0.000630
6.28070 9.99466 4.05905 0.009819 0.012023 0.004664
2.80484 10.34140 2.60493 -0.007825 0.019505 -0.009585
5.85876 7.59725 14.24081 0.012450 0.011240 -0.021155
2.33378 8.07412 16.06384 0.042517 0.018833 -0.017750
0.72196 11.42800 1.39191 0.000818 -0.000325 0.001431
4.17641 17.36384 8.00554 -0.022157 0.018519 -0.011063
0.17664 14.81238 7.80592 0.000148 0.001744 -0.001529
5.28314 15.15948 14.98492 0.000613 0.001285 0.000235
1.99589 13.21868 11.02572 0.002719 -0.001756 -0.000687
4.90269 16.46159 10.85427 0.004429 -0.002038 -0.000615
11.44760 2.27402 4.62061 0.003345 0.012547 0.004122
6.42001 2.18281 1.50214 -0.015724 -0.105887 -0.087156
11.20298 6.44871 5.00937 -0.015599 -0.050914 -0.025646
8.23943 2.94593 3.71752 0.010756 -0.027351 0.005384
9.07830 3.43667 7.86385 0.005386 0.004930 0.006513
8.13841 17.45818 9.05432 0.005215 -0.005975 -0.001576
11.09062 4.59939 10.31069 0.000001 0.000950 0.010247
8.29143 2.75175 15.42638 0.002588 0.002392 -0.007518
8.82941 17.22992 17.22214 0.016915 0.059378 0.012365
7.50840 7.62286 6.62087 -0.011087 0.027699 0.012912
4.60511 5.74329 8.41778 0.003315 0.002322 -0.024569
12.92668 11.75537 13.63632 0.004741 -0.001913 -0.001165
8.02117 10.55523 12.10517 0.004567 -0.000045 -0.001574
8.67556 7.71636 17.49570 0.026074 0.012135 -0.013366
11.47875 15.24589 6.91703 0.006500 -0.003416 0.000984
9.35972 16.97903 6.56192 0.003498 0.009799 0.001461
11.03713 17.07922 2.67792 0.003076 0.000979 -0.002937
7.42775 12.08916 10.09180 0.004649 0.000783 0.002022
7.92017 14.83580 12.09082 0.002019 0.002175 -0.000524
8.50905 1.48718 11.99359 0.002564 0.001754 0.000291
13.83892 16.58967 17.12637 0.003351 0.005227 0.007192
14.18064 2.16404 1.76300 -0.002658 0.027999 -0.005448
0.22637 2.85420 3.74771 0.078044 0.120484 -0.031097
13.55731 4.46328 4.56374 -0.028863 0.020684 0.012000
13.93368 3.48067 13.12140 0.006925 -0.001425 0.002839
14.29477 4.78199 0.25086 -0.001297 0.000950 0.014365
12.05112 9.01860 17.04503 0.004073 0.001608 0.001511
16.27694 10.80430 6.52497 0.005356 0.000868 0.003772
16.72250 7.84092 12.70809 0.004087 0.003945 -0.004591
0.08131 12.14367 13.72814 0.001110 0.002590 0.000342
15.18747 8.06134 16.77823 0.009044 -0.009272 -0.002147
15.33129 0.80027 4.23469 0.021342 0.010334 -0.000607
15.22283 14.74953 2.39790 -0.001514 0.001507 -0.002786
11.52991 14.60593 10.60396 0.001903 -0.000920 0.000169
14.54913 0.08259 13.94141 -0.002537 -0.003648 -0.008733
13.64918 15.17179 12.57877 0.003404 -0.002113 0.000691
14.26990 11.73639 16.04700 0.004813 -0.000231 0.002098
2.83011 17.00291 0.89614 0.011617 -0.030665 -0.002937
5.01762 2.19884 4.72481 0.300424 -1.401158 0.559007
2.72197 6.40768 4.52960 0.630288 -0.583169 -0.407942
0.61592 0.85326 7.17988 -0.006190 -0.007226 -0.005998
1.05804 0.47662 10.87149 0.003167 0.001056 -0.002167
2.72869 6.02833 13.97220 0.015331 0.007024 0.009878
6.27365 4.07474 13.21275 0.005149 -0.003300 -0.001065
3.39789 2.54642 16.78232 -0.039293 0.005853 0.024163
0.26647 0.03376 15.97352 -0.033933 -0.020216 -0.023795
16.86896 8.04953 1.06168 0.009917 -0.013905 -0.000336
5.26691 11.21282 3.35522 0.011182 -0.007644 -0.015716
1.79651 10.63408 3.97172 0.014126 0.012545 -0.001038
4.24367 8.25477 13.91418 0.001935 -0.014762 0.016056
3.20146 7.72932 0.04071 -0.023717 0.002929 0.005560
17.29565 11.52683 2.88643 0.002047 0.011060 0.000565
5.09458 17.34903 6.48077 0.003914 0.007487 -0.001670
16.80060 13.95067 9.04167 0.005646 0.000722 0.002483
5.65314 14.35380 13.49055 0.006436 -0.001736 -0.001361
2.85103 14.37043 10.06567 0.005690 0.000802 -0.000002
4.88020 0.46410 11.72901 0.001070 -0.000661 0.002750
11.82432 3.49932 5.78478 -0.038967 0.039855 -0.043771
6.33916 3.40343 0.25044 -0.015818 -0.025750 -0.000367
9.59394 6.71839 4.41200 0.022594 0.043801 0.003422
7.91802 4.38505 4.66043 0.126323 -0.034985 0.139408
8.23543 2.62518 6.58554 -0.002595 -0.009621 0.001352
6.41431 17.32071 8.88054 0.004221 -0.000470 0.003041
11.14557 3.00954 10.98712 0.002914 -0.004413 -0.000100
9.36027 3.86210 16.23230 0.013967 0.003410 -0.019536
7.53966 17.41529 0.94072 0.002688 -0.026050 -0.003203
8.48774 8.36338 7.84778 0.014005 -0.002979 -0.017740
5.72768 5.64505 7.08615 0.023550 -0.013804 0.038312
11.53162 12.14308 12.66419 0.002199 0.000932 -0.000203
7.77778 8.79967 12.01567 0.002840 -0.000544 -0.001492
7.67148 7.97660 16.05599 -0.045096 -0.021709 0.038957
11.96712 14.11387 5.69832 0.002639 0.006708 -0.002638
9.20674 0.45352 5.13285 -0.011048 -0.008877 -0.004738
12.42086 17.27854 3.71166 0.007917 -0.005445 -0.002208
5.72984 12.20671 9.71226 0.002281 -0.003234 -0.001863
7.06651 14.59485 10.54611 0.003253 0.001315 0.001244
8.18003 0.43236 13.34917 -0.004297 -0.002595 -0.005696
12.13433 16.79403 17.35819 0.002888 -0.010404 -0.008514
12.47800 1.85419 1.86970 0.013434 -0.018936 0.005727
16.61133 3.22326 2.47663 -0.154483 -0.069084 0.039220
14.18380 5.80672 3.64923 -0.004822 0.007970 -0.001748
14.87276 2.50739 12.03337 0.003467 0.000699 0.000046
14.23243 6.19147 1.27631 -0.001149 -0.015371 0.001989
12.93327 8.58137 1.02753 0.003888 -0.004029 -0.003885
0.31818 10.15222 5.96061 -0.001696 -0.006917 -0.005456
0.23893 8.66414 13.84372 -0.001908 -0.001729 0.007143
17.08408 11.06555 14.99139 0.001239 -0.000860 -0.000711
14.24371 8.22849 15.33189 -0.001756 0.006502 -0.000551
17.03243 0.72423 4.52831 -0.018282 0.016231 -0.000948
14.06257 14.70897 3.69175 0.000706 -0.008806 -0.001448
11.55248 15.52990 9.11606 0.000309 -0.000895 -0.001541
15.79992 0.71375 12.92180 0.000478 -0.000977 -0.005934
14.66771 14.92743 11.20480 0.000485 -0.000082 -0.003893
13.59723 13.22883 15.45681 0.003434 -0.000623 -0.002238
0.28893 16.96969 9.61776 0.007570 0.003020 -0.001300
5.14861 8.79609 15.34428 -0.002251 0.009608 -0.003679
16.57887 10.76457 1.44815 0.007750 -0.005611 -0.000680
3.32280 17.43531 6.45000 -0.004693 -0.025137 0.001448
7.22345 0.33037 16.74849 0.000582 -0.011188 -0.000767
8.80270 9.61454 10.81195 0.006309 0.000744 0.002486
8.32656 6.35754 16.39008 0.021887 0.008170 -0.018975
8.73549 15.20213 10.55252 0.005729 -0.003744 0.000449
11.35757 7.84337 0.68199 -0.000904 0.004937 0.006351
17.07689 11.54135 5.11708 0.005247 0.002969 -0.002088
1.05898 4.30352 7.32607 0.012972 -0.048035 0.049731
4.03509 12.56543 11.20951 0.011707 0.001996 0.000841
2.98241 12.61908 2.99845 0.019787 -0.000789 0.000479
13.02951 6.77394 13.23542 -0.007936 -0.002242 0.000832
9.81405 10.04557 13.02717 -0.002204 -0.002526 0.003353
14.38062 12.44509 3.83928 -0.010274 0.004317 -0.001000
15.29130 12.60070 6.14349 -0.001707 -0.001796 0.005353
1.51212 12.17674 0.04632 0.007504 -0.002238 -0.009476
5.20365 1.54821 15.21091 0.067594 -0.004508 -0.004096
6.79297 14.20253 8.32851 0.009042 0.005473 0.002200
11.61515 7.96197 6.76612 0.036760 0.016752 0.015021
10.25461 10.96603 6.21744 0.007283 0.010545 0.004372
11.90891 11.26603 4.43245 0.020286 0.000529 -0.008654
8.53540 10.78259 3.48001 -0.002285 -0.004445 -0.007447
9.76681 9.93079 2.50215 0.005628 0.006074 -0.003201
8.80784 11.23977 1.76494 -0.000038 -0.009764 -0.000738
14.97448 6.01037 8.35394 0.023368 0.010223 -0.024206
10.93413 4.83383 7.59381 0.029011 0.001189 0.027740
13.14865 5.92816 9.67432 0.019283 0.005231 -0.005064
12.65000 8.06887 9.52187 0.008948 -0.001263 -0.000699
13.90414 8.18239 10.79823 0.000921 -0.000146 -0.003723
12.16474 8.24325 11.23577 0.000795 0.000183 0.003146
5.27827 14.04824 2.20496 -0.018017 -0.003240 0.010202
10.20084 2.92381 1.69633 0.112887 0.007929 -0.018649
7.46833 14.00510 0.41146 0.003456 -0.016613 -0.003056
7.48179 15.39929 3.01468 -0.002095 -0.001428 0.000316
8.41010 16.93048 3.00754 0.007140 0.018152 0.004297
8.99741 15.53505 2.05618 0.007870 0.001783 -0.001310
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 4 DIRECTION 1 : 3.697 -0.312 -0.162
rigid augmentation : 0.196 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -0.499 -0.312 -0.162
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 11/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 14( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01045563
-V(xc)+E(xc) XCENC = 0.02179681
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02156059
---------------------------------------------------
free energy TOTEN = -0.01021941 eV
energy without entropy = -0.01021941
----------------------------------------- Iteration 14( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258982; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258922; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.64549E+00 rms(broyden)= 0.64477E+00
rms(prec ) = 0.72605E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01045563
-V(xc)+E(xc) XCENC = 0.02179681
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01236218
---------------------------------------------------
free energy TOTEN = -0.00102100 eV
energy without entropy = -0.00102100
----------------------------------------- Iteration 14( 3) ---------------------------------------
BZINTS: Fermi energy: 0.259007; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258897; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.39475E+00 rms(broyden)= 0.39468E+00
rms(prec ) = 0.45097E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3929
2.3929
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00955651
-V(xc)+E(xc) XCENC = 0.01835555
PAW double counting = 0.00276094 -0.00276169
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01257905
---------------------------------------------------
free energy TOTEN = -0.00378076 eV
energy without entropy = -0.00378076
----------------------------------------- Iteration 14( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259043; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258861; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.94503E-01 rms(broyden)= 0.94370E-01
rms(prec ) = 0.11825E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.1083
1.8416 2.3749
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00847234
-V(xc)+E(xc) XCENC = 0.01543919
PAW double counting = 0.01718114 -0.01718561
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01307973
---------------------------------------------------
free energy TOTEN = -0.00611735 eV
energy without entropy = -0.00611735
----------------------------------------- Iteration 14( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259045; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258860; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.42870E-01 rms(broyden)= 0.42825E-01
rms(prec ) = 0.57540E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8168
2.8650 0.9980 1.5874
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00817641
-V(xc)+E(xc) XCENC = 0.01503301
PAW double counting = 0.01898275 -0.01898743
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01332806
---------------------------------------------------
free energy TOTEN = -0.00647614 eV
energy without entropy = -0.00647614
----------------------------------------- Iteration 14( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259047; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258857; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.22109E-01 rms(broyden)= 0.22097E-01
rms(prec ) = 0.32587E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8749
3.0641 2.1566 0.9611 1.3180
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00815686
-V(xc)+E(xc) XCENC = 0.01502334
PAW double counting = 0.02029248 -0.02029738
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01334256
---------------------------------------------------
free energy TOTEN = -0.00648098 eV
energy without entropy = -0.00648098
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0531 0.00000
5 -0.1032 0.00000
6 -0.0100 0.00000
7 -0.0229 0.00000
8 -0.0443 0.00000
9 -0.0418 0.00000
10 -0.0368 0.00000
11 -0.0025 0.00000
12 -0.0058 0.00000
13 -0.0991 0.00000
14 0.0669 0.00000
15 0.0864 0.00000
16 0.0016 0.00000
17 -0.0349 0.00000
18 -0.1256 0.00000
19 -0.0181 0.00000
20 0.0024 0.00000
21 -0.0749 0.00000
22 0.0228 0.00000
23 -0.0589 0.00000
24 0.0138 0.00000
25 0.0661 0.00000
26 0.0842 0.00000
27 0.0879 0.00000
28 0.0779 0.00000
29 -0.0451 0.00000
30 -0.0570 0.00000
31 0.0490 0.00000
32 0.1216 0.00000
33 -0.0454 0.00000
34 0.0124 0.00000
35 -0.0327 0.00000
36 0.0510 0.00000
37 0.0213 0.00000
38 -0.1810 0.00000
39 0.0503 0.00000
40 0.0325 0.00000
41 -0.2170 0.00000
42 -0.0145 0.00000
43 0.0125 0.00000
44 -0.1503 0.00000
45 0.0541 0.00000
46 0.0370 0.00000
47 0.0043 0.00000
48 -0.0179 0.00000
49 -0.0393 0.00000
50 0.0263 0.00000
51 0.0299 0.00000
52 -0.0196 0.00000
53 -0.0144 0.00000
54 0.0008 0.00000
55 -0.0213 0.00000
56 0.0271 0.00000
57 -0.0135 0.00000
58 -0.1360 0.00000
59 0.0199 0.00000
60 0.0514 0.00000
61 0.0840 0.00000
62 0.0648 0.00000
63 0.0572 0.00000
64 -0.0127 0.00000
65 -0.1997 0.00000
66 -0.0013 0.00000
67 0.0239 0.00000
68 -0.0599 0.00000
69 -0.0287 0.00000
70 -0.0277 0.00000
71 -0.0924 0.00000
72 -0.0933 0.00000
73 -0.0444 0.00000
74 -0.0679 0.00000
75 -0.0344 0.00000
76 0.0056 0.00000
77 -0.0024 0.00000
78 -0.2637 0.00000
79 -0.0647 0.00000
80 -0.0268 0.00000
81 0.0536 0.00000
82 0.0795 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0411 0.00000
90 0.0635 0.00000
91 0.0211 0.00000
92 0.0858 0.00000
93 0.0115 0.00000
94 -0.0901 0.00000
95 0.0653 0.00000
96 0.0416 0.00000
97 -0.0251 0.00000
98 0.2255 0.00000
99 0.3268 0.00000
100 -0.0821 0.00000
101 0.7738 0.00000
102 0.0297 0.00000
103 0.0667 0.00000
104 0.1025 0.00000
105 -0.0291 0.00000
106 0.0196 0.00000
107 0.0012 0.00000
108 0.0542 0.00000
109 0.0381 0.00000
110 0.0112 0.00000
111 -0.0031 0.00000
112 0.0157 0.00000
113 0.0036 0.00000
114 -0.3201 0.00000
115 -0.2658 0.00000
116 -0.0354 0.00000
117 -0.4016 0.00000
118 0.0103 0.00000
119 -0.1006 0.00000
120 0.0047 0.00000
121 0.0583 0.00000
122 0.0401 0.00000
123 0.0556 0.00000
124 0.1040 0.00000
125 0.0917 0.00000
126 0.5858 0.00000
127 -0.0344 0.00000
128 -0.0510 0.00000
129 0.1074 0.00000
130 0.1134 0.00000
131 0.0581 0.00000
132 -0.0290 0.00000
133 0.0039 0.00000
134 0.1932 0.00000
135 -0.0341 0.00000
136 -0.1118 0.00000
137 -0.0685 0.00000
138 -0.4593 0.00000
139 0.0548 0.00000
140 -0.0108 0.00000
141 0.0178 0.00000
142 -0.1126 0.00000
143 0.0148 0.00000
144 -0.0049 0.00000
145 -0.0424 0.00000
146 -0.0923 0.00000
147 -0.1212 0.00000
148 0.0144 0.00000
149 -0.1163 0.00000
150 0.0341 0.00000
151 0.0014 0.00000
152 -0.0003 0.00000
153 -0.0034 0.00000
154 -0.0774 0.00000
155 -0.0194 0.00000
156 0.0529 0.00000
157 -0.0137 0.00000
158 0.0955 0.00000
159 0.0998 0.00000
160 -0.0220 0.00000
161 -0.0171 0.00000
162 -0.0205 0.00000
163 -0.0983 0.00000
164 0.1622 0.00000
165 0.0246 0.00000
166 -0.0114 0.00000
167 -0.0427 0.00000
168 -0.1440 0.00000
169 -0.0209 0.00000
170 0.0647 0.00000
171 -0.0074 0.00000
172 -0.0058 0.00000
173 0.0141 0.00000
174 -0.1092 0.00000
175 -0.0181 0.00000
176 -0.0002 0.00000
177 -0.0369 0.00000
178 -0.0424 0.00000
179 -0.0207 0.00000
180 -0.0029 0.00000
181 0.0100 0.00000
182 -0.0184 0.00000
183 -0.0244 0.00000
184 -0.0385 0.00000
185 0.0223 0.00000
186 0.0582 0.00000
187 0.0168 0.00000
188 0.0249 0.00000
189 -0.0199 0.00000
190 0.0222 0.00000
191 -0.0088 0.00000
192 -0.0296 0.00000
193 0.0043 0.00000
194 -0.1781 0.00000
195 0.0210 0.00000
196 0.0067 0.00000
197 0.0526 0.00000
198 -0.0016 0.00000
199 -0.0821 0.00000
200 -0.0406 0.00000
201 0.0327 0.00000
202 0.0039 0.00000
203 0.0325 0.00000
204 0.0387 0.00000
205 0.0140 0.00000
206 -0.0661 0.00000
207 -0.0252 0.00000
208 -0.0117 0.00000
209 -0.0353 0.00000
210 0.0536 0.00000
211 0.0607 0.00000
212 -0.1137 0.00000
213 -0.0020 0.00000
214 -0.0341 0.00000
215 -0.0032 0.00000
216 0.0100 0.00000
217 0.0137 0.00000
218 -0.0391 0.00000
219 -0.0126 0.00000
220 0.0801 0.00000
221 0.1176 0.00000
222 -0.0268 0.00000
223 -0.0401 0.00000
224 0.0347 0.00000
225 -0.1711 0.00000
226 -0.1557 0.00000
227 -0.0324 0.00000
228 -0.0290 0.00000
229 -0.0944 0.00000
230 0.0076 0.00000
231 0.0678 0.00000
232 -0.0798 0.00000
233 -0.1040 0.00000
234 0.0189 0.00000
235 0.0635 0.00000
236 0.0530 0.00000
237 0.0193 0.00000
238 0.0515 0.00000
239 -0.0189 0.00000
240 0.0439 0.00000
241 0.0466 0.00000
242 0.1040 0.00000
243 0.1268 0.00000
244 0.0349 0.00000
245 -0.0717 0.00000
246 0.0707 0.00000
247 0.0783 0.00000
248 0.0652 0.00000
249 0.0852 0.00000
250 0.0459 0.00000
251 -0.0020 0.00000
252 0.0133 0.00000
253 0.0277 0.00000
254 -0.0088 0.00000
255 0.0945 0.00000
256 0.0103 0.00000
257 0.0213 0.00000
258 0.0825 0.00000
259 -0.0350 0.00000
260 0.0346 0.00000
261 0.0039 0.00000
262 0.0307 0.00000
263 -0.0126 0.00000
264 0.0049 0.00000
265 0.0359 0.00000
266 0.0346 0.00000
267 -0.0260 0.00000
268 -0.0010 0.00000
269 0.0765 0.00000
270 0.0224 0.00000
271 0.0161 0.00000
272 0.0263 0.00000
273 0.0389 0.00000
274 -0.0010 0.00000
275 0.1570 0.00000
276 -0.0242 0.00000
277 0.0212 0.00000
278 -0.0016 0.00000
279 0.0427 0.00000
280 -0.0629 0.00000
281 -0.0334 0.00000
282 0.0029 0.00000
283 0.0415 0.00000
284 -0.0062 0.00000
285 0.0569 0.00000
286 0.0514 0.00000
287 0.0468 0.00000
288 -0.0235 0.00000
289 0.0254 0.00000
290 -0.0069 0.00000
291 -0.0272 0.00000
292 0.2355 0.00000
293 -0.0492 0.00000
294 -0.0126 0.00000
295 0.2207 0.00000
296 0.0612 0.00000
297 0.0447 0.00000
298 -0.0475 0.00000
299 0.0959 0.00000
300 0.0340 0.00000
301 0.0531 0.00000
302 -0.0248 0.00000
303 -0.0099 0.00000
304 -0.0142 0.00000
305 0.0207 0.00000
306 0.0910 0.00000
307 0.0369 0.00000
308 0.0085 0.00000
309 0.0345 0.00000
310 0.0834 0.00000
311 0.3544 0.00000
312 0.0938 0.00000
313 -0.0225 0.00000
314 0.0039 0.00000
315 0.0333 0.00000
316 0.0625 0.00000
317 0.0852 0.00000
318 0.0236 0.00000
319 -0.0096 0.00000
320 -0.1745 0.00000
321 0.0293 0.00000
322 0.2532 0.00000
323 -0.0183 0.00000
324 0.0123 0.00000
325 -0.1000 0.00000
326 -0.0290 0.00000
327 -0.0326 0.00000
328 -0.0076 0.00000
329 -0.0530 0.00000
330 0.0010 0.00000
331 -0.0783 0.00000
332 0.1398 0.00000
333 0.0178 0.00000
334 -0.0435 0.00000
335 0.0003 0.00000
336 -0.1753 0.00000
337 -0.0786 0.00000
338 0.0081 0.00000
339 0.0957 0.00000
340 -0.0262 0.00000
341 0.0883 0.00000
342 -0.1569 0.00000
343 -0.0959 0.00000
344 -0.0625 0.00000
345 0.0022 0.00000
346 0.0166 0.00000
347 -0.0814 0.00000
348 -0.0920 0.00000
349 0.0496 0.00000
350 -0.0185 0.00000
351 -0.0489 0.00000
352 0.0055 0.00000
353 0.0371 0.00000
354 0.0305 0.00000
355 0.0237 0.00000
356 -0.0235 0.00000
357 0.0110 0.00000
358 -0.0503 0.00000
359 0.0452 0.00000
360 0.0452 0.00000
361 -0.0283 0.00000
362 -0.0374 0.00000
363 0.0391 0.00000
364 0.0354 0.00000
365 -0.1052 0.00000
366 -0.0538 0.00000
367 0.0041 0.00000
368 -0.0076 0.00000
369 0.1158 0.00000
370 -0.0305 0.00000
371 0.0266 0.00000
372 -0.0111 0.00000
373 0.0494 0.00000
374 0.0045 0.00000
375 -0.0181 0.00000
376 0.0216 0.00000
377 -0.0271 0.00000
378 0.0601 0.00000
379 -0.0410 0.00000
380 -0.0324 0.00000
381 -0.0524 0.00000
382 -0.0244 0.00000
383 0.0258 0.00000
384 0.0068 0.00000
385 -0.0061 0.00000
386 0.0037 0.00000
387 0.0038 0.00000
388 -0.0079 0.00000
389 0.0147 0.00000
390 -0.0534 0.00000
391 0.0126 0.00000
392 -0.0585 0.00000
393 -0.0139 0.00000
394 0.0086 0.00000
395 -0.0536 0.00000
396 -0.0318 0.00000
397 -0.0012 0.00000
398 -0.0187 0.00000
399 -0.0429 0.00000
400 -0.0134 0.00000
401 0.0322 0.00000
402 0.0080 0.00000
403 -0.0304 0.00000
404 -0.0317 0.00000
405 -0.0103 0.00000
406 -0.0178 0.00000
407 -0.0539 0.00000
408 -0.0568 0.00000
409 -0.0386 0.00000
410 0.0225 0.00000
411 -0.0076 0.00000
412 -0.0201 0.00000
413 -0.0196 0.00000
414 -0.0819 0.00000
415 -0.0549 0.00000
416 -0.0681 0.00000
417 -0.0425 0.00000
418 -0.0213 0.00000
419 -0.0221 0.00000
420 -0.0460 0.00000
421 -0.0086 0.00000
422 -0.0416 0.00000
423 -0.0261 0.00000
424 -0.0263 0.00000
425 -0.0245 0.00000
426 -0.0196 0.00000
427 -0.0170 0.00000
428 -0.0107 0.00000
429 -0.0464 0.00000
430 -0.0294 0.00000
431 -0.0150 0.00000
432 -0.0349 0.00000
433 -0.0007 0.00000
434 -0.0183 0.00000
435 -0.0206 0.00000
436 0.0036 0.00000
437 0.0046 0.00000
438 0.0126 0.00000
439 -0.0241 0.00000
440 -0.1453 0.00000
441 0.0174 0.00000
442 -0.0711 0.00000
443 0.0034 0.00000
444 0.0050 0.00000
445 -0.0277 0.00000
446 -0.0597 0.00000
447 -0.0164 0.00000
448 -0.0279 0.00000
449 0.0201 0.00000
450 0.0426 0.00000
451 0.0176 0.00000
452 -0.0565 0.00000
453 -0.0430 0.00000
454 -0.0013 0.00000
455 -0.0030 0.00000
456 -0.0400 0.00000
457 -0.0455 0.00000
458 -0.0106 0.00000
459 -0.0105 0.00000
460 -0.0285 0.00000
461 0.0274 0.00000
462 -0.0471 0.00000
463 0.0117 0.00000
464 0.0420 0.00000
465 0.0017 0.00000
466 -0.0036 0.00000
467 -0.0183 0.00000
468 0.0271 0.00000
469 0.0049 0.00000
470 0.0329 0.00000
471 -0.0197 0.00000
472 0.0028 0.00000
473 0.0387 0.00000
474 0.0183 0.00000
475 -0.0489 0.00000
476 0.0082 0.00000
477 -0.0100 0.00000
478 0.0444 0.00000
479 0.0369 0.00000
480 0.0439 0.00000
481 0.0189 0.00000
482 -0.0147 0.00000
483 -0.0027 0.00000
484 -0.0445 0.00000
485 0.0636 0.00000
486 -0.0064 0.00000
487 0.0625 0.00000
488 -0.0505 0.00000
489 -0.0311 0.00000
490 -0.0082 0.00000
491 0.0410 0.00000
492 0.0100 0.00000
493 0.0525 0.00000
494 0.0325 0.00000
495 -0.0118 0.00000
496 0.0026 0.00000
497 0.0080 0.00000
498 0.0084 0.00000
499 -0.0207 0.00000
500 -0.0821 0.00000
501 -0.0503 0.00000
502 0.0017 0.00000
503 -0.0549 0.00000
504 -0.0022 0.00000
505 0.0351 0.00000
506 -0.0344 0.00000
507 -0.0348 0.00000
508 -0.0142 0.00000
509 0.0121 0.00000
510 0.0137 0.00000
511 -0.0042 0.00000
512 0.0371 0.00000
513 -0.0248 0.00000
514 0.0002 0.00000
515 0.0081 0.00000
516 0.0570 0.00000
517 0.0179 0.00000
518 -0.0538 0.00000
519 -0.0449 0.00000
520 -0.0265 0.00000
521 -0.0339 0.00000
522 -0.1210 0.00000
523 -0.0208 0.00000
524 0.0197 0.00000
525 -0.0358 0.00000
526 -0.0758 0.00000
527 0.0500 0.00000
528 -0.0295 0.00000
529 -0.0662 0.00000
530 -0.0435 0.00000
531 -0.0285 0.00000
532 -0.0262 0.00000
533 0.0334 0.00000
534 -0.0334 0.00000
535 -0.0043 0.00000
536 -0.1496 0.00000
537 0.1050 0.00000
538 -0.0247 0.00000
539 -0.0143 0.00000
540 0.0086 0.00000
541 -0.0099 0.00000
542 -0.0680 0.00000
543 -0.0578 0.00000
544 0.0137 0.00000
545 -0.0367 0.00000
546 -0.0361 0.00000
547 0.0085 0.00000
548 -0.0371 0.00000
549 -0.0067 0.00000
550 0.0143 0.00000
551 -0.0125 0.00000
552 -0.0122 0.00000
553 0.0313 0.00000
554 0.0067 0.00000
555 -0.0302 0.00000
556 0.0025 0.00000
557 -0.0390 0.00000
558 -0.0418 0.00000
559 0.0203 0.00000
560 -0.0142 0.00000
561 -0.0259 0.00000
562 -0.0108 0.00000
563 0.0238 0.00000
564 -0.0105 0.00000
565 -0.0226 0.00000
566 -0.0509 0.00000
567 -0.0144 0.00000
568 -0.0270 0.00000
569 -0.0174 0.00000
570 -0.0322 0.00000
571 0.0133 0.00000
572 -0.0451 0.00000
573 -0.0361 0.00000
574 -0.0600 0.00000
575 -0.0149 0.00000
576 0.0461 0.00000
577 0.0203 0.00000
578 0.0191 0.00000
579 -0.1002 0.00000
580 0.1389 0.00000
581 0.0295 0.00000
582 -0.0626 0.00000
583 0.0417 0.00000
584 -0.0378 0.00000
585 -0.0656 0.00000
586 -0.1058 0.00000
587 0.0086 0.00000
588 -0.0830 0.00000
589 0.0719 0.00000
590 -0.0643 0.00000
591 -0.0388 0.00000
592 -0.0838 0.00000
593 -0.0704 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0488 0.00000
597 0.0492 0.00000
598 0.0079 0.00000
599 0.0177 0.00000
600 0.0018 0.00000
601 0.0218 0.00000
602 0.0172 0.00000
603 0.0219 0.00000
604 0.0352 0.00000
605 0.0089 0.00000
606 0.0366 0.00000
607 0.0888 0.00000
608 0.0044 0.00000
609 0.0706 0.00000
610 0.0284 0.00000
611 0.1046 0.00000
612 0.0356 0.00000
613 0.0087 0.00000
614 0.0097 0.00000
615 -0.0023 0.00000
616 0.0223 0.00000
617 0.0288 0.00000
618 -0.0566 0.00000
619 0.0339 0.00000
620 0.1582 0.00000
621 -0.0050 0.00000
622 0.0695 0.00000
623 0.0228 0.00000
624 -0.0001 0.00000
625 0.0438 0.00000
626 0.0275 0.00000
627 -0.0165 0.00000
628 0.0913 0.00000
629 0.0374 0.00000
630 -0.0371 0.00000
631 0.0241 0.00000
632 0.0188 0.00000
633 0.0420 0.00000
634 -0.0488 0.00000
635 0.0256 0.00000
636 0.0024 0.00000
637 0.0694 0.00000
638 0.0055 0.00000
639 -0.0326 0.00000
640 0.0454 0.00000
641 0.0211 0.00000
642 -0.0313 0.00000
643 0.0246 0.00000
644 0.0257 0.00000
645 0.0086 0.00000
646 -0.0392 0.00000
647 -0.0066 0.00000
648 -0.0150 0.00000
649 0.0709 0.00000
650 0.0045 0.00000
651 -0.0167 0.00000
652 -0.0556 0.00000
653 0.0067 0.00000
654 -0.0850 0.00000
655 -0.0102 0.00000
656 -0.0158 0.00000
657 0.0019 0.00000
658 -0.0044 0.00000
659 0.0607 0.00000
660 0.0011 0.00000
661 -0.0223 0.00000
662 0.0189 0.00000
663 0.0317 0.00000
664 -0.0481 0.00000
665 -0.0109 0.00000
666 -0.0090 0.00000
667 0.0012 0.00000
668 -0.0594 0.00000
669 0.0276 0.00000
670 -0.0532 0.00000
671 -0.0158 0.00000
672 -0.0256 0.00000
673 -0.0042 0.00000
674 -0.0100 0.00000
675 0.0071 0.00000
676 -0.0104 0.00000
677 0.0013 0.00000
678 0.0485 0.00000
679 0.0517 0.00000
680 -0.0238 0.00000
681 0.0421 0.00000
682 0.0037 0.00000
683 0.0822 0.00000
684 -0.0210 0.00000
685 0.0444 0.00000
686 0.0361 0.00000
687 0.0739 0.00000
688 -0.0012 0.00000
689 0.0225 0.00000
690 -0.0181 0.00000
691 0.0630 0.00000
692 -0.0012 0.00000
693 -0.0115 0.00000
694 -0.0076 0.00000
695 -0.0098 0.00000
696 -0.0249 0.00000
697 0.0229 0.00000
698 0.0228 0.00000
699 0.0363 0.00000
700 -0.0237 0.00000
701 0.0219 0.00000
702 -0.0260 0.00000
703 0.0509 0.00000
704 0.0398 0.00000
705 -0.0222 0.00000
706 -0.0234 0.00000
707 -0.0071 0.00000
708 -0.0553 0.00000
709 -0.0087 0.00000
710 -0.0129 0.00000
711 0.0243 0.00000
712 -0.0081 0.00000
713 0.0272 0.00000
714 0.0191 0.00000
715 0.0132 0.00000
716 -0.0249 0.00000
717 -0.1163 0.00000
718 0.0340 0.00000
719 0.0074 0.00000
720 -0.0433 0.00000
721 -0.0153 0.00000
722 0.0138 0.00000
723 -0.0171 0.00000
724 -0.0459 0.00000
725 0.0032 0.00000
726 0.0601 0.00000
727 -0.0240 0.00000
728 0.0149 0.00000
729 0.0120 0.00000
730 0.0490 0.00000
731 -0.0045 0.00000
732 -0.0149 0.00000
733 0.0579 0.00000
734 -0.0817 0.00000
735 0.0039 0.00000
736 -0.0021 0.00000
737 0.0200 0.00000
738 0.0029 0.00000
739 -0.0620 0.00000
740 0.0080 0.00000
741 -0.0653 0.00000
742 -0.0171 0.00000
743 -0.0323 0.00000
744 0.0247 0.00000
745 -0.0023 0.00000
746 0.0484 0.00000
747 -0.0576 0.00000
748 -0.0528 0.00000
749 -0.0095 0.00000
750 -0.0653 0.00000
751 0.0307 0.00000
752 -0.0158 0.00000
753 -0.0405 0.00000
754 -0.0039 0.00000
755 0.0037 0.00000
756 0.0096 0.00000
757 -0.0245 0.00000
758 -0.0312 0.00000
759 0.0307 0.00000
760 0.0606 0.00000
761 -0.0430 0.00000
762 -0.0552 0.00000
763 -0.0253 0.00000
764 -0.0227 0.00000
765 -0.0077 0.00000
766 -0.0456 0.00000
767 -0.0062 0.00000
768 -0.1097 0.00000
769 -0.0777 0.00000
770 -0.0259 0.00000
771 -0.0073 0.00000
772 -0.0049 0.00000
773 0.1047 0.00000
774 -0.0161 0.00000
775 -0.0130 0.00000
776 -0.0448 0.00000
777 -0.0576 0.00000
778 -0.0261 0.00000
779 -0.0007 0.00000
780 0.0143 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0516 0.00000
5 -0.1045 0.00000
6 -0.0103 0.00000
7 -0.0227 0.00000
8 -0.0445 0.00000
9 -0.0414 0.00000
10 -0.0376 0.00000
11 -0.0022 0.00000
12 -0.0055 0.00000
13 -0.0991 0.00000
14 0.0668 0.00000
15 0.0855 0.00000
16 0.0026 0.00000
17 -0.0346 0.00000
18 -0.1270 0.00000
19 -0.0237 0.00000
20 0.0089 0.00000
21 -0.0746 0.00000
22 0.0178 0.00000
23 -0.0446 0.00000
24 0.0172 0.00000
25 0.0610 0.00000
26 0.1095 0.00000
27 0.0641 0.00000
28 -0.0050 0.00000
29 -0.0088 0.00000
30 -0.0395 0.00000
31 0.0669 0.00000
32 0.1279 0.00000
33 -0.0466 0.00000
34 0.0121 0.00000
35 -0.0323 0.00000
36 0.0526 0.00000
37 0.0157 0.00000
38 -0.1800 0.00000
39 0.0498 0.00000
40 0.0317 0.00000
41 -0.2337 0.00000
42 -0.0112 0.00000
43 0.0116 0.00000
44 -0.1754 0.00000
45 0.0989 0.00000
46 0.0439 0.00000
47 -0.0043 0.00000
48 -0.0166 0.00000
49 -0.0182 0.00000
50 0.0069 0.00000
51 0.0309 0.00000
52 -0.0336 0.00000
53 -0.0113 0.00000
54 -0.0090 0.00000
55 -0.0178 0.00000
56 0.0334 0.00000
57 -0.0153 0.00000
58 -0.1278 0.00000
59 0.0381 0.00000
60 0.0490 0.00000
61 0.0604 0.00000
62 0.0319 0.00000
63 0.0274 0.00000
64 0.0272 0.00000
65 -0.1692 0.00000
66 -0.0226 0.00000
67 -0.0398 0.00000
68 0.0297 0.00000
69 -0.0463 0.00000
70 -0.0919 0.00000
71 -0.0213 0.00000
72 -0.0931 0.00000
73 -0.0342 0.00000
74 -0.0645 0.00000
75 -0.0527 0.00000
76 0.0256 0.00000
77 -0.0161 0.00000
78 -0.2775 0.00000
79 -0.0481 0.00000
80 -0.0268 0.00000
81 0.0536 0.00000
82 0.0787 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0403 0.00000
90 0.0639 0.00000
91 0.0309 0.00000
92 0.0766 0.00000
93 0.0011 0.00000
94 -0.0768 0.00000
95 0.0371 0.00000
96 0.0851 0.00000
97 -0.0318 0.00000
98 0.3460 0.00000
99 0.2206 0.00000
100 -0.0247 0.00000
101 0.6562 0.00000
102 0.1295 0.00000
103 0.0164 0.00000
104 0.0687 0.00000
105 0.0029 0.00000
106 -0.0031 0.00000
107 0.0051 0.00000
108 0.0759 0.00000
109 0.0369 0.00000
110 0.0073 0.00000
111 -0.0290 0.00000
112 0.0539 0.00000
113 -0.0171 0.00000
114 -0.4557 0.00000
115 -0.1332 0.00000
116 -0.0234 0.00000
117 -0.4198 0.00000
118 0.0229 0.00000
119 -0.1028 0.00000
120 -0.0019 0.00000
121 0.0475 0.00000
122 0.0631 0.00000
123 0.0631 0.00000
124 0.1154 0.00000
125 0.0643 0.00000
126 0.5709 0.00000
127 -0.0570 0.00000
128 -0.0535 0.00000
129 0.0945 0.00000
130 0.2419 0.00000
131 0.0573 0.00000
132 -0.0864 0.00000
133 -0.0114 0.00000
134 0.1805 0.00000
135 -0.0340 0.00000
136 -0.0922 0.00000
137 -0.0499 0.00000
138 -0.4752 0.00000
139 0.0383 0.00000
140 -0.0024 0.00000
141 0.0143 0.00000
142 -0.1165 0.00000
143 0.0169 0.00000
144 -0.0047 0.00000
145 -0.0447 0.00000
146 -0.0887 0.00000
147 -0.1222 0.00000
148 0.0251 0.00000
149 -0.1249 0.00000
150 0.0301 0.00000
151 -0.0066 0.00000
152 0.0261 0.00000
153 -0.0041 0.00000
154 -0.0831 0.00000
155 -0.0262 0.00000
156 -0.0006 0.00000
157 0.0853 0.00000
158 0.0644 0.00000
159 0.0169 0.00000
160 0.0679 0.00000
161 0.0044 0.00000
162 -0.0447 0.00000
163 -0.1651 0.00000
164 0.2141 0.00000
165 -0.0218 0.00000
166 -0.0455 0.00000
167 0.0522 0.00000
168 -0.0560 0.00000
169 -0.0193 0.00000
170 -0.0366 0.00000
171 0.0469 0.00000
172 -0.0439 0.00000
173 -0.0990 0.00000
174 -0.0309 0.00000
175 0.0094 0.00000
176 -0.0266 0.00000
177 -0.0185 0.00000
178 -0.0566 0.00000
179 -0.0447 0.00000
180 -0.0130 0.00000
181 0.0143 0.00000
182 -0.0025 0.00000
183 0.0124 0.00000
184 -0.0335 0.00000
185 0.0179 0.00000
186 0.0020 0.00000
187 0.0538 0.00000
188 0.0460 0.00000
189 -0.0293 0.00000
190 -0.0096 0.00000
191 0.0011 0.00000
192 -0.0306 0.00000
193 -0.1456 0.00000
194 -0.0133 0.00000
195 0.0355 0.00000
196 0.0044 0.00000
197 -0.0004 0.00000
198 0.0742 0.00000
199 -0.0895 0.00000
200 -0.0425 0.00000
201 -0.0096 0.00000
202 0.0366 0.00000
203 0.0285 0.00000
204 -0.0016 0.00000
205 -0.0013 0.00000
206 -0.0560 0.00000
207 -0.0033 0.00000
208 -0.0214 0.00000
209 -0.0166 0.00000
210 0.0598 0.00000
211 0.0129 0.00000
212 -0.0184 0.00000
213 -0.0735 0.00000
214 -0.0185 0.00000
215 0.0291 0.00000
216 -0.0375 0.00000
217 0.0146 0.00000
218 -0.0433 0.00000
219 0.1310 0.00000
220 -0.0148 0.00000
221 0.0557 0.00000
222 0.0014 0.00000
223 -0.0809 0.00000
224 0.0427 0.00000
225 -0.0080 0.00000
226 -0.2449 0.00000
227 -0.0633 0.00000
228 -0.0269 0.00000
229 -0.0933 0.00000
230 -0.0013 0.00000
231 0.0680 0.00000
232 -0.0858 0.00000
233 -0.0978 0.00000
234 0.0139 0.00000
235 0.0637 0.00000
236 0.0116 0.00000
237 0.0494 0.00000
238 0.0610 0.00000
239 0.0632 0.00000
240 0.0426 0.00000
241 0.0205 0.00000
242 0.0443 0.00000
243 0.0302 0.00000
244 -0.0494 0.00000
245 0.1448 0.00000
246 0.0583 0.00000
247 0.0325 0.00000
248 0.1498 0.00000
249 0.0549 0.00000
250 0.0192 0.00000
251 0.0176 0.00000
252 -0.0111 0.00000
253 0.0399 0.00000
254 0.0942 0.00000
255 -0.0001 0.00000
256 0.0675 0.00000
257 -0.0194 0.00000
258 0.0515 0.00000
259 -0.0199 0.00000
260 0.0165 0.00000
261 -0.0039 0.00000
262 0.0144 0.00000
263 -0.0237 0.00000
264 0.0650 0.00000
265 0.0240 0.00000
266 0.0086 0.00000
267 -0.0104 0.00000
268 -0.0144 0.00000
269 -0.0219 0.00000
270 0.0707 0.00000
271 -0.0141 0.00000
272 0.1398 0.00000
273 0.0583 0.00000
274 -0.0040 0.00000
275 -0.0162 0.00000
276 0.0688 0.00000
277 0.0255 0.00000
278 0.0396 0.00000
279 -0.0037 0.00000
280 0.0691 0.00000
281 -0.0495 0.00000
282 -0.0099 0.00000
283 -0.0429 0.00000
284 0.0427 0.00000
285 0.0511 0.00000
286 0.0252 0.00000
287 0.0205 0.00000
288 0.0529 0.00000
289 0.1188 0.00000
290 -0.0142 0.00000
291 0.0445 0.00000
292 0.0964 0.00000
293 0.0156 0.00000
294 -0.0154 0.00000
295 0.0063 0.00000
296 0.0237 0.00000
297 0.0697 0.00000
298 0.0244 0.00000
299 0.1042 0.00000
300 0.0972 0.00000
301 -0.0440 0.00000
302 0.0444 0.00000
303 0.0733 0.00000
304 -0.0513 0.00000
305 0.1640 0.00000
306 0.0570 0.00000
307 0.0684 0.00000
308 -0.0220 0.00000
309 -0.0285 0.00000
310 0.0906 0.00000
311 0.1556 0.00000
312 0.0335 0.00000
313 0.0365 0.00000
314 0.0118 0.00000
315 0.0065 0.00000
316 0.2083 0.00000
317 -0.0669 0.00000
318 0.0664 0.00000
319 -0.0559 0.00000
320 -0.0675 0.00000
321 -0.0188 0.00000
322 0.2078 0.00000
323 0.0235 0.00000
324 0.0852 0.00000
325 -0.0022 0.00000
326 -0.0121 0.00000
327 -0.1628 0.00000
328 0.0945 0.00000
329 -0.0104 0.00000
330 -0.0418 0.00000
331 -0.0987 0.00000
332 0.0170 0.00000
333 -0.0243 0.00000
334 -0.0033 0.00000
335 0.0823 0.00000
336 -0.0219 0.00000
337 -0.0498 0.00000
338 -0.0772 0.00000
339 0.0417 0.00000
340 -0.0196 0.00000
341 -0.0422 0.00000
342 -0.0408 0.00000
343 -0.1035 0.00000
344 -0.0641 0.00000
345 -0.0279 0.00000
346 -0.0775 0.00000
347 0.0102 0.00000
348 -0.0109 0.00000
349 -0.0108 0.00000
350 -0.0179 0.00000
351 -0.0738 0.00000
352 0.0616 0.00000
353 -0.0182 0.00000
354 -0.0358 0.00000
355 -0.0036 0.00000
356 -0.0295 0.00000
357 0.0226 0.00000
358 0.0291 0.00000
359 0.0656 0.00000
360 0.0629 0.00000
361 -0.0434 0.00000
362 0.0020 0.00000
363 -0.0323 0.00000
364 -0.0010 0.00000
365 -0.1675 0.00000
366 -0.0445 0.00000
367 -0.0073 0.00000
368 -0.0366 0.00000
369 0.0388 0.00000
370 -0.0042 0.00000
371 0.1646 0.00000
372 0.1157 0.00000
373 -0.0145 0.00000
374 -0.0266 0.00000
375 0.0027 0.00000
376 0.0236 0.00000
377 -0.0262 0.00000
378 -0.0228 0.00000
379 -0.0084 0.00000
380 -0.0001 0.00000
381 -0.0072 0.00000
382 -0.0680 0.00000
383 0.0111 0.00000
384 -0.0374 0.00000
385 0.0061 0.00000
386 0.0254 0.00000
387 0.0335 0.00000
388 -0.0456 0.00000
389 0.0063 0.00000
390 -0.0051 0.00000
391 -0.0371 0.00000
392 -0.0007 0.00000
393 -0.0567 0.00000
394 -0.0632 0.00000
395 -0.0237 0.00000
396 0.0347 0.00000
397 -0.0130 0.00000
398 0.0216 0.00000
399 0.0388 0.00000
400 -0.0316 0.00000
401 -0.0071 0.00000
402 0.0135 0.00000
403 -0.0194 0.00000
404 -0.0050 0.00000
405 0.0077 0.00000
406 -0.0255 0.00000
407 -0.0771 0.00000
408 -0.0124 0.00000
409 -0.0188 0.00000
410 -0.0574 0.00000
411 -0.0815 0.00000
412 -0.0443 0.00000
413 -0.0090 0.00000
414 -0.0336 0.00000
415 -0.1289 0.00000
416 -0.0448 0.00000
417 0.0017 0.00000
418 -0.0650 0.00000
419 -0.0177 0.00000
420 -0.0644 0.00000
421 -0.0263 0.00000
422 -0.0680 0.00000
423 0.0005 0.00000
424 -0.0129 0.00000
425 0.0166 0.00000
426 0.0023 0.00000
427 -0.0169 0.00000
428 -0.0326 0.00000
429 0.0126 0.00000
430 -0.0157 0.00000
431 -0.0225 0.00000
432 -0.0462 0.00000
433 -0.0362 0.00000
434 -0.0206 0.00000
435 -0.0454 0.00000
436 -0.0193 0.00000
437 0.0004 0.00000
438 -0.0119 0.00000
439 0.0090 0.00000
440 0.0010 0.00000
441 -0.0533 0.00000
442 -0.0600 0.00000
443 -0.0298 0.00000
444 -0.0178 0.00000
445 -0.0207 0.00000
446 -0.0580 0.00000
447 -0.0469 0.00000
448 0.0116 0.00000
449 0.1000 0.00000
450 -0.0421 0.00000
451 0.0063 0.00000
452 -0.0358 0.00000
453 -0.0041 0.00000
454 0.0047 0.00000
455 -0.0642 0.00000
456 -0.0256 0.00000
457 -0.0079 0.00000
458 -0.0237 0.00000
459 -0.0330 0.00000
460 -0.0159 0.00000
461 -0.0284 0.00000
462 -0.0277 0.00000
463 0.0579 0.00000
464 -0.0289 0.00000
465 -0.0231 0.00000
466 -0.0204 0.00000
467 0.0109 0.00000
468 0.0073 0.00000
469 -0.0210 0.00000
470 0.1476 0.00000
471 -0.0534 0.00000
472 0.0316 0.00000
473 -0.0204 0.00000
474 -0.0052 0.00000
475 0.0621 0.00000
476 0.0302 0.00000
477 0.0204 0.00000
478 -0.0563 0.00000
479 -0.0070 0.00000
480 0.0247 0.00000
481 0.0058 0.00000
482 -0.0745 0.00000
483 -0.0018 0.00000
484 0.0313 0.00000
485 -0.0386 0.00000
486 0.1363 0.00000
487 0.0154 0.00000
488 0.0214 0.00000
489 0.0083 0.00000
490 -0.0036 0.00000
491 0.0254 0.00000
492 -0.0005 0.00000
493 -0.0038 0.00000
494 0.0154 0.00000
495 -0.0133 0.00000
496 -0.0407 0.00000
497 -0.0245 0.00000
498 -0.0254 0.00000
499 0.0054 0.00000
500 0.0483 0.00000
501 -0.0572 0.00000
502 -0.0495 0.00000
503 0.0148 0.00000
504 0.0011 0.00000
505 -0.0149 0.00000
506 0.0153 0.00000
507 0.0109 0.00000
508 -0.0205 0.00000
509 -0.0370 0.00000
510 0.0874 0.00000
511 -0.0098 0.00000
512 -0.0170 0.00000
513 -0.0207 0.00000
514 0.0232 0.00000
515 0.0008 0.00000
516 0.0138 0.00000
517 0.0172 0.00000
518 -0.0858 0.00000
519 0.0046 0.00000
520 -0.0794 0.00000
521 0.0076 0.00000
522 -0.1120 0.00000
523 -0.0175 0.00000
524 0.0147 0.00000
525 -0.0117 0.00000
526 -0.0162 0.00000
527 0.0058 0.00000
528 -0.0271 0.00000
529 0.0439 0.00000
530 -0.0430 0.00000
531 -0.0981 0.00000
532 -0.0010 0.00000
533 -0.0100 0.00000
534 -0.1320 0.00000
535 -0.0250 0.00000
536 -0.0665 0.00000
537 -0.0002 0.00000
538 0.0001 0.00000
539 0.0109 0.00000
540 -0.0320 0.00000
541 -0.0244 0.00000
542 -0.0453 0.00000
543 0.0386 0.00000
544 -0.0148 0.00000
545 -0.0090 0.00000
546 -0.0504 0.00000
547 0.0367 0.00000
548 -0.0935 0.00000
549 -0.0367 0.00000
550 -0.0050 0.00000
551 0.0260 0.00000
552 -0.0220 0.00000
553 -0.0035 0.00000
554 0.0085 0.00000
555 0.0076 0.00000
556 -0.0767 0.00000
557 0.0035 0.00000
558 0.0022 0.00000
559 -0.0289 0.00000
560 -0.0010 0.00000
561 0.0098 0.00000
562 -0.0469 0.00000
563 0.0080 0.00000
564 -0.0055 0.00000
565 -0.0379 0.00000
566 -0.0015 0.00000
567 -0.0256 0.00000
568 0.0168 0.00000
569 -0.0409 0.00000
570 -0.0692 0.00000
571 0.0405 0.00000
572 0.0122 0.00000
573 -0.0091 0.00000
574 -0.0669 0.00000
575 0.0319 0.00000
576 -0.0615 0.00000
577 -0.0458 0.00000
578 -0.0292 0.00000
579 0.0190 0.00000
580 0.1880 0.00000
581 0.0063 0.00000
582 0.0163 0.00000
583 -0.0145 0.00000
584 -0.1204 0.00000
585 -0.0530 0.00000
586 -0.0916 0.00000
587 0.0054 0.00000
588 -0.0734 0.00000
589 0.0722 0.00000
590 -0.0728 0.00000
591 -0.0326 0.00000
592 -0.0855 0.00000
593 -0.0690 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0488 0.00000
597 0.0492 0.00000
598 -0.0057 0.00000
599 0.0348 0.00000
600 0.0127 0.00000
601 -0.0424 0.00000
602 0.0182 0.00000
603 0.0338 0.00000
604 0.1215 0.00000
605 0.0383 0.00000
606 -0.0003 0.00000
607 0.0647 0.00000
608 0.0338 0.00000
609 0.0465 0.00000
610 0.0404 0.00000
611 0.0407 0.00000
612 0.0254 0.00000
613 -0.0052 0.00000
614 0.0710 0.00000
615 -0.0073 0.00000
616 0.1480 0.00000
617 0.0215 0.00000
618 0.0316 0.00000
619 -0.0476 0.00000
620 0.0345 0.00000
621 0.0357 0.00000
622 0.0977 0.00000
623 0.0425 0.00000
624 -0.0156 0.00000
625 0.0139 0.00000
626 0.0294 0.00000
627 -0.1353 0.00000
628 0.0312 0.00000
629 0.0449 0.00000
630 0.0305 0.00000
631 -0.0155 0.00000
632 -0.0088 0.00000
633 0.1021 0.00000
634 0.0919 0.00000
635 0.0204 0.00000
636 0.0183 0.00000
637 -0.0197 0.00000
638 0.0071 0.00000
639 -0.0030 0.00000
640 0.0254 0.00000
641 -0.0361 0.00000
642 -0.0641 0.00000
643 0.0450 0.00000
644 -0.0777 0.00000
645 -0.0171 0.00000
646 0.0194 0.00000
647 0.0396 0.00000
648 0.0000 0.00000
649 0.0188 0.00000
650 -0.0374 0.00000
651 -0.0151 0.00000
652 0.0091 0.00000
653 -0.0023 0.00000
654 0.0337 0.00000
655 -0.0269 0.00000
656 -0.0093 0.00000
657 0.0261 0.00000
658 -0.0181 0.00000
659 0.0081 0.00000
660 0.0769 0.00000
661 0.0255 0.00000
662 0.1018 0.00000
663 -0.0117 0.00000
664 -0.0685 0.00000
665 -0.0777 0.00000
666 -0.0817 0.00000
667 -0.0214 0.00000
668 0.0026 0.00000
669 -0.0752 0.00000
670 0.0250 0.00000
671 0.0555 0.00000
672 0.0289 0.00000
673 -0.0348 0.00000
674 0.0097 0.00000
675 0.0540 0.00000
676 -0.0086 0.00000
677 0.0030 0.00000
678 -0.0268 0.00000
679 0.0521 0.00000
680 0.0225 0.00000
681 0.0006 0.00000
682 0.0032 0.00000
683 0.0192 0.00000
684 -0.0004 0.00000
685 0.0266 0.00000
686 -0.0240 0.00000
687 0.0570 0.00000
688 -0.0167 0.00000
689 -0.0439 0.00000
690 0.1131 0.00000
691 -0.0005 0.00000
692 -0.0148 0.00000
693 0.0158 0.00000
694 -0.0014 0.00000
695 -0.0311 0.00000
696 -0.0320 0.00000
697 0.0092 0.00000
698 -0.0339 0.00000
699 -0.0098 0.00000
700 -0.0398 0.00000
701 0.0178 0.00000
702 0.0873 0.00000
703 0.0361 0.00000
704 0.0172 0.00000
705 0.0228 0.00000
706 0.1061 0.00000
707 0.0110 0.00000
708 -0.0307 0.00000
709 0.0127 0.00000
710 0.0469 0.00000
711 -0.0389 0.00000
712 0.0008 0.00000
713 -0.0661 0.00000
714 -0.0153 0.00000
715 -0.0196 0.00000
716 -0.0043 0.00000
717 0.0011 0.00000
718 -0.0196 0.00000
719 -0.0179 0.00000
720 0.0470 0.00000
721 -0.0113 0.00000
722 0.0152 0.00000
723 0.0042 0.00000
724 -0.0286 0.00000
725 0.0291 0.00000
726 0.0205 0.00000
727 -0.0192 0.00000
728 0.0566 0.00000
729 -0.0141 0.00000
730 0.0150 0.00000
731 -0.0299 0.00000
732 -0.0220 0.00000
733 -0.0175 0.00000
734 -0.0331 0.00000
735 0.0131 0.00000
736 -0.0488 0.00000
737 -0.0247 0.00000
738 0.0499 0.00000
739 -0.0263 0.00000
740 0.0298 0.00000
741 0.0266 0.00000
742 -0.0085 0.00000
743 -0.0931 0.00000
744 -0.0140 0.00000
745 -0.0090 0.00000
746 0.0336 0.00000
747 0.0551 0.00000
748 -0.0278 0.00000
749 -0.0379 0.00000
750 -0.0171 0.00000
751 0.0336 0.00000
752 -0.0359 0.00000
753 -0.0020 0.00000
754 -0.0212 0.00000
755 -0.0342 0.00000
756 -0.0070 0.00000
757 -0.1519 0.00000
758 0.0274 0.00000
759 0.0363 0.00000
760 0.0131 0.00000
761 -0.0704 0.00000
762 -0.0077 0.00000
763 -0.0098 0.00000
764 -0.0014 0.00000
765 -0.0908 0.00000
766 -0.1429 0.00000
767 -0.0209 0.00000
768 -0.1883 0.00000
769 -0.0236 0.00000
770 0.0000 0.00000
771 -0.0545 0.00000
772 0.0011 0.00000
773 -0.0025 0.00000
774 0.0243 0.00000
775 -0.0119 0.00000
776 0.0206 0.00000
777 -0.0200 0.00000
778 -0.0109 0.00000
779 0.0273 0.00000
780 -0.0201 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0532 0.00000
5 -0.1029 0.00000
6 -0.0102 0.00000
7 -0.0229 0.00000
8 -0.0446 0.00000
9 -0.0415 0.00000
10 -0.0369 0.00000
11 -0.0025 0.00000
12 -0.0058 0.00000
13 -0.0994 0.00000
14 0.0671 0.00000
15 0.0864 0.00000
16 0.0483 0.00000
17 -0.1077 0.00000
18 -0.1001 0.00000
19 -0.0245 0.00000
20 0.0096 0.00000
21 -0.0749 0.00000
22 0.0247 0.00000
23 -0.0581 0.00000
24 0.0176 0.00000
25 0.0596 0.00000
26 0.0911 0.00000
27 0.0798 0.00000
28 0.0895 0.00000
29 -0.0622 0.00000
30 -0.0559 0.00000
31 0.0660 0.00000
32 0.1055 0.00000
33 -0.0071 0.00000
34 -0.0130 0.00000
35 -0.0280 0.00000
36 0.0249 0.00000
37 0.0246 0.00000
38 -0.1627 0.00000
39 0.0334 0.00000
40 0.0519 0.00000
41 -0.2469 0.00000
42 0.0173 0.00000
43 0.0128 0.00000
44 -0.0715 0.00000
45 -0.0469 0.00000
46 -0.0083 0.00000
47 0.0531 0.00000
48 0.0267 0.00000
49 -0.0549 0.00000
50 -0.0028 0.00000
51 0.0341 0.00000
52 -0.0143 0.00000
53 -0.0131 0.00000
54 -0.0136 0.00000
55 -0.0260 0.00000
56 0.0439 0.00000
57 -0.0139 0.00000
58 -0.1142 0.00000
59 0.0042 0.00000
60 0.0478 0.00000
61 0.0473 0.00000
62 0.0879 0.00000
63 0.0494 0.00000
64 -0.0713 0.00000
65 -0.1151 0.00000
66 -0.0071 0.00000
67 0.0027 0.00000
68 -0.0425 0.00000
69 -0.0288 0.00000
70 -0.0286 0.00000
71 -0.0917 0.00000
72 -0.0932 0.00000
73 -0.0445 0.00000
74 -0.0680 0.00000
75 -0.0363 0.00000
76 0.0078 0.00000
77 -0.0027 0.00000
78 -0.2585 0.00000
79 -0.0695 0.00000
80 -0.0269 0.00000
81 0.0537 0.00000
82 0.0795 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0411 0.00000
90 0.0636 0.00000
91 0.0207 0.00000
92 0.0870 0.00000
93 0.0114 0.00000
94 -0.0876 0.00000
95 0.0593 0.00000
96 0.0400 0.00000
97 -0.0473 0.00000
98 0.2434 0.00000
99 0.4952 0.00000
100 -0.0680 0.00000
101 0.5923 0.00000
102 0.0274 0.00000
103 0.0952 0.00000
104 0.0755 0.00000
105 -0.0171 0.00000
106 0.0222 0.00000
107 0.0045 0.00000
108 0.0400 0.00000
109 0.0571 0.00000
110 -0.0317 0.00000
111 0.0353 0.00000
112 0.0246 0.00000
113 0.0127 0.00000
114 -0.2648 0.00000
115 -0.3639 0.00000
116 -0.0199 0.00000
117 -0.3920 0.00000
118 0.0072 0.00000
119 -0.1105 0.00000
120 -0.0011 0.00000
121 0.0684 0.00000
122 0.0411 0.00000
123 0.0333 0.00000
124 0.1251 0.00000
125 0.0946 0.00000
126 0.4956 0.00000
127 -0.0781 0.00000
128 0.1546 0.00000
129 0.0813 0.00000
130 0.0868 0.00000
131 0.0490 0.00000
132 -0.0017 0.00000
133 -0.0225 0.00000
134 0.1779 0.00000
135 -0.0342 0.00000
136 -0.0996 0.00000
137 -0.0760 0.00000
138 -0.4659 0.00000
139 0.0572 0.00000
140 -0.0067 0.00000
141 0.0171 0.00000
142 -0.1141 0.00000
143 0.0137 0.00000
144 -0.0071 0.00000
145 -0.0414 0.00000
146 -0.0919 0.00000
147 -0.1212 0.00000
148 0.0305 0.00000
149 -0.1392 0.00000
150 0.0326 0.00000
151 0.0111 0.00000
152 0.0022 0.00000
153 -0.0214 0.00000
154 -0.0599 0.00000
155 -0.0371 0.00000
156 0.0146 0.00000
157 0.0756 0.00000
158 0.0198 0.00000
159 0.0941 0.00000
160 0.0337 0.00000
161 -0.0020 0.00000
162 -0.0126 0.00000
163 -0.0980 0.00000
164 0.1628 0.00000
165 -0.0392 0.00000
166 0.0131 0.00000
167 -0.0486 0.00000
168 -0.0818 0.00000
169 -0.0347 0.00000
170 -0.0209 0.00000
171 0.0223 0.00000
172 0.0367 0.00000
173 -0.0186 0.00000
174 -0.0691 0.00000
175 -0.0123 0.00000
176 0.0179 0.00000
177 -0.0664 0.00000
178 -0.0399 0.00000
179 -0.0443 0.00000
180 -0.0590 0.00000
181 0.0092 0.00000
182 -0.0154 0.00000
183 -0.0058 0.00000
184 -0.0115 0.00000
185 0.0133 0.00000
186 0.0308 0.00000
187 0.0912 0.00000
188 -0.0084 0.00000
189 -0.0018 0.00000
190 -0.0073 0.00000
191 0.0087 0.00000
192 -0.0140 0.00000
193 -0.1391 0.00000
194 -0.0523 0.00000
195 0.0177 0.00000
196 -0.0259 0.00000
197 0.0761 0.00000
198 0.0187 0.00000
199 -0.0505 0.00000
200 -0.0414 0.00000
201 -0.0068 0.00000
202 0.0244 0.00000
203 -0.0321 0.00000
204 0.0457 0.00000
205 0.0138 0.00000
206 -0.0384 0.00000
207 -0.0241 0.00000
208 -0.0089 0.00000
209 -0.0415 0.00000
210 0.0493 0.00000
211 0.0588 0.00000
212 -0.1079 0.00000
213 -0.0034 0.00000
214 0.0064 0.00000
215 -0.0128 0.00000
216 0.0101 0.00000
217 -0.0307 0.00000
218 -0.0188 0.00000
219 0.0024 0.00000
220 0.0522 0.00000
221 0.0852 0.00000
222 0.0210 0.00000
223 -0.0028 0.00000
224 -0.0066 0.00000
225 -0.1275 0.00000
226 -0.1970 0.00000
227 -0.0341 0.00000
228 -0.0290 0.00000
229 -0.0931 0.00000
230 0.0078 0.00000
231 0.0676 0.00000
232 -0.0747 0.00000
233 -0.1077 0.00000
234 0.0195 0.00000
235 0.0776 0.00000
236 0.0135 0.00000
237 0.0652 0.00000
238 0.0433 0.00000
239 -0.0278 0.00000
240 0.0367 0.00000
241 0.0460 0.00000
242 0.1674 0.00000
243 0.0225 0.00000
244 0.0253 0.00000
245 -0.0789 0.00000
246 0.1137 0.00000
247 0.0962 0.00000
248 0.0754 0.00000
249 0.0648 0.00000
250 0.0476 0.00000
251 -0.0099 0.00000
252 -0.0256 0.00000
253 0.1376 0.00000
254 0.0569 0.00000
255 0.0147 0.00000
256 0.0193 0.00000
257 0.0019 0.00000
258 0.0152 0.00000
259 -0.0066 0.00000
260 -0.0075 0.00000
261 0.1279 0.00000
262 -0.0394 0.00000
263 0.0176 0.00000
264 0.0075 0.00000
265 0.0058 0.00000
266 0.0428 0.00000
267 -0.0012 0.00000
268 -0.0318 0.00000
269 0.0101 0.00000
270 0.0249 0.00000
271 0.0836 0.00000
272 0.0095 0.00000
273 0.0298 0.00000
274 0.0496 0.00000
275 0.1155 0.00000
276 0.0017 0.00000
277 0.0186 0.00000
278 -0.0377 0.00000
279 -0.0464 0.00000
280 -0.0555 0.00000
281 0.0291 0.00000
282 0.0302 0.00000
283 0.0554 0.00000
284 0.0289 0.00000
285 -0.0022 0.00000
286 0.0709 0.00000
287 -0.0095 0.00000
288 -0.0066 0.00000
289 0.0230 0.00000
290 0.0781 0.00000
291 0.0299 0.00000
292 0.0002 0.00000
293 0.2455 0.00000
294 0.0189 0.00000
295 0.1091 0.00000
296 -0.0212 0.00000
297 -0.0842 0.00000
298 0.0243 0.00000
299 0.1282 0.00000
300 0.0165 0.00000
301 0.0918 0.00000
302 0.0239 0.00000
303 0.0439 0.00000
304 0.0078 0.00000
305 0.0571 0.00000
306 -0.1299 0.00000
307 0.0259 0.00000
308 0.1026 0.00000
309 0.0392 0.00000
310 0.0764 0.00000
311 0.3996 0.00000
312 -0.0137 0.00000
313 0.0804 0.00000
314 0.0392 0.00000
315 -0.0012 0.00000
316 0.0715 0.00000
317 -0.0336 0.00000
318 0.0621 0.00000
319 -0.0203 0.00000
320 -0.0559 0.00000
321 -0.0203 0.00000
322 0.1073 0.00000
323 0.1240 0.00000
324 -0.0423 0.00000
325 0.0145 0.00000
326 0.0071 0.00000
327 -0.0908 0.00000
328 -0.0907 0.00000
329 0.0619 0.00000
330 -0.0415 0.00000
331 0.0445 0.00000
332 0.0184 0.00000
333 -0.0962 0.00000
334 0.0775 0.00000
335 -0.2179 0.00000
336 -0.0988 0.00000
337 -0.0700 0.00000
338 -0.0505 0.00000
339 0.0062 0.00000
340 0.0378 0.00000
341 0.1486 0.00000
342 -0.0185 0.00000
343 -0.0080 0.00000
344 -0.1108 0.00000
345 -0.1892 0.00000
346 -0.0533 0.00000
347 0.0116 0.00000
348 0.0590 0.00000
349 -0.0377 0.00000
350 0.1102 0.00000
351 -0.0429 0.00000
352 -0.0281 0.00000
353 -0.0437 0.00000
354 -0.0219 0.00000
355 -0.0220 0.00000
356 0.0147 0.00000
357 -0.0227 0.00000
358 0.0921 0.00000
359 -0.0488 0.00000
360 0.0244 0.00000
361 0.0037 0.00000
362 0.0017 0.00000
363 -0.0239 0.00000
364 0.0653 0.00000
365 -0.1118 0.00000
366 -0.0036 0.00000
367 0.0101 0.00000
368 -0.0532 0.00000
369 -0.0103 0.00000
370 0.0280 0.00000
371 0.1823 0.00000
372 0.0074 0.00000
373 -0.0219 0.00000
374 0.0132 0.00000
375 0.0056 0.00000
376 0.0148 0.00000
377 -0.0378 0.00000
378 0.0020 0.00000
379 -0.0280 0.00000
380 -0.0142 0.00000
381 -0.0118 0.00000
382 -0.0440 0.00000
383 -0.0115 0.00000
384 -0.0092 0.00000
385 0.0083 0.00000
386 -0.0224 0.00000
387 -0.0586 0.00000
388 0.0264 0.00000
389 -0.0242 0.00000
390 0.0276 0.00000
391 -0.0127 0.00000
392 -0.0154 0.00000
393 -0.0080 0.00000
394 0.0135 0.00000
395 -0.0008 0.00000
396 -0.0695 0.00000
397 -0.0066 0.00000
398 -0.0695 0.00000
399 0.0200 0.00000
400 -0.0242 0.00000
401 -0.0083 0.00000
402 0.0147 0.00000
403 0.0300 0.00000
404 -0.0243 0.00000
405 -0.0489 0.00000
406 -0.0490 0.00000
407 -0.0800 0.00000
408 -0.0112 0.00000
409 -0.0092 0.00000
410 -0.0305 0.00000
411 -0.0458 0.00000
412 -0.0323 0.00000
413 0.0119 0.00000
414 -0.0267 0.00000
415 -0.0687 0.00000
416 -0.0273 0.00000
417 -0.0054 0.00000
418 -0.0321 0.00000
419 -0.0254 0.00000
420 -0.0384 0.00000
421 -0.0350 0.00000
422 -0.0142 0.00000
423 -0.0288 0.00000
424 -0.0899 0.00000
425 0.0082 0.00000
426 -0.0280 0.00000
427 -0.0271 0.00000
428 -0.0228 0.00000
429 -0.0492 0.00000
430 -0.0232 0.00000
431 -0.0252 0.00000
432 -0.0164 0.00000
433 -0.0309 0.00000
434 -0.0239 0.00000
435 -0.0043 0.00000
436 -0.0338 0.00000
437 -0.0244 0.00000
438 -0.0034 0.00000
439 -0.0151 0.00000
440 -0.0845 0.00000
441 -0.0667 0.00000
442 -0.0080 0.00000
443 0.0055 0.00000
444 -0.0110 0.00000
445 0.0180 0.00000
446 -0.0242 0.00000
447 -0.0589 0.00000
448 -0.0025 0.00000
449 -0.0088 0.00000
450 -0.0095 0.00000
451 -0.0246 0.00000
452 0.0519 0.00000
453 -0.0390 0.00000
454 -0.0189 0.00000
455 -0.0113 0.00000
456 -0.0283 0.00000
457 0.0257 0.00000
458 -0.0118 0.00000
459 -0.0081 0.00000
460 -0.0287 0.00000
461 -0.0510 0.00000
462 -0.0007 0.00000
463 0.0180 0.00000
464 -0.0147 0.00000
465 -0.0261 0.00000
466 -0.0013 0.00000
467 0.0434 0.00000
468 -0.0125 0.00000
469 0.0084 0.00000
470 -0.0272 0.00000
471 0.0287 0.00000
472 -0.0111 0.00000
473 -0.0039 0.00000
474 0.0148 0.00000
475 0.0547 0.00000
476 -0.0076 0.00000
477 -0.0173 0.00000
478 0.0547 0.00000
479 -0.0057 0.00000
480 0.0330 0.00000
481 -0.0541 0.00000
482 -0.0219 0.00000
483 0.1474 0.00000
484 0.0255 0.00000
485 0.0280 0.00000
486 -0.0113 0.00000
487 0.0290 0.00000
488 -0.0216 0.00000
489 0.0108 0.00000
490 0.0270 0.00000
491 -0.0456 0.00000
492 -0.0046 0.00000
493 0.0161 0.00000
494 -0.0246 0.00000
495 0.0100 0.00000
496 0.0038 0.00000
497 0.0262 0.00000
498 0.0123 0.00000
499 -0.0248 0.00000
500 -0.0150 0.00000
501 -0.0190 0.00000
502 -0.0086 0.00000
503 -0.0298 0.00000
504 0.0031 0.00000
505 -0.0120 0.00000
506 -0.0520 0.00000
507 0.0288 0.00000
508 -0.0726 0.00000
509 0.0070 0.00000
510 0.0449 0.00000
511 -0.0305 0.00000
512 0.0032 0.00000
513 -0.0177 0.00000
514 -0.0200 0.00000
515 -0.0595 0.00000
516 0.0184 0.00000
517 0.0382 0.00000
518 -0.0182 0.00000
519 0.0155 0.00000
520 -0.0972 0.00000
521 -0.0828 0.00000
522 0.0160 0.00000
523 -0.0199 0.00000
524 -0.0353 0.00000
525 0.0405 0.00000
526 0.0168 0.00000
527 -0.0424 0.00000
528 -0.0027 0.00000
529 -0.0478 0.00000
530 -0.0364 0.00000
531 -0.0776 0.00000
532 -0.0674 0.00000
533 -0.0769 0.00000
534 -0.0244 0.00000
535 0.0222 0.00000
536 -0.0222 0.00000
537 -0.0171 0.00000
538 0.0186 0.00000
539 -0.0246 0.00000
540 -0.0055 0.00000
541 0.0061 0.00000
542 -0.0599 0.00000
543 0.0324 0.00000
544 -0.0292 0.00000
545 -0.0211 0.00000
546 -0.0153 0.00000
547 -0.0130 0.00000
548 -0.0413 0.00000
549 -0.0292 0.00000
550 -0.0094 0.00000
551 -0.0045 0.00000
552 0.0149 0.00000
553 -0.0171 0.00000
554 -0.0083 0.00000
555 -0.0308 0.00000
556 0.0135 0.00000
557 0.0053 0.00000
558 0.0332 0.00000
559 -0.0050 0.00000
560 -0.0496 0.00000
561 0.0316 0.00000
562 -0.0072 0.00000
563 -0.0422 0.00000
564 0.0107 0.00000
565 -0.0649 0.00000
566 -0.0534 0.00000
567 -0.0413 0.00000
568 -0.0442 0.00000
569 -0.0323 0.00000
570 0.0282 0.00000
571 0.0121 0.00000
572 -0.0193 0.00000
573 -0.0686 0.00000
574 -0.1223 0.00000
575 0.0150 0.00000
576 0.0013 0.00000
577 0.0847 0.00000
578 0.0726 0.00000
579 0.0267 0.00000
580 -0.0530 0.00000
581 0.0941 0.00000
582 -0.1124 0.00000
583 0.0987 0.00000
584 -0.0570 0.00000
585 -0.0760 0.00000
586 -0.0988 0.00000
587 0.0122 0.00000
588 -0.0938 0.00000
589 0.0726 0.00000
590 -0.0649 0.00000
591 -0.0387 0.00000
592 -0.0827 0.00000
593 -0.0714 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0489 0.00000
597 0.0492 0.00000
598 0.0046 0.00000
599 0.0531 0.00000
600 -0.0293 0.00000
601 0.0105 0.00000
602 0.0408 0.00000
603 -0.0183 0.00000
604 0.0514 0.00000
605 0.0598 0.00000
606 0.0327 0.00000
607 0.0564 0.00000
608 0.0429 0.00000
609 0.0341 0.00000
610 0.0057 0.00000
611 0.0925 0.00000
612 0.0363 0.00000
613 -0.0290 0.00000
614 0.0006 0.00000
615 0.0641 0.00000
616 -0.0350 0.00000
617 -0.0106 0.00000
618 0.0559 0.00000
619 0.0413 0.00000
620 0.0973 0.00000
621 0.0868 0.00000
622 0.0980 0.00000
623 0.0641 0.00000
624 -0.0284 0.00000
625 0.0348 0.00000
626 -0.0208 0.00000
627 0.0364 0.00000
628 0.0556 0.00000
629 -0.0035 0.00000
630 -0.0027 0.00000
631 0.0421 0.00000
632 0.0133 0.00000
633 -0.1067 0.00000
634 0.0264 0.00000
635 0.0189 0.00000
636 0.0031 0.00000
637 0.0413 0.00000
638 0.0418 0.00000
639 0.0079 0.00000
640 -0.0301 0.00000
641 0.0006 0.00000
642 -0.0189 0.00000
643 0.0436 0.00000
644 0.0133 0.00000
645 0.0272 0.00000
646 -0.0314 0.00000
647 -0.0111 0.00000
648 -0.0099 0.00000
649 0.0024 0.00000
650 0.0501 0.00000
651 0.0013 0.00000
652 -0.0402 0.00000
653 0.0212 0.00000
654 -0.0658 0.00000
655 -0.0543 0.00000
656 -0.0082 0.00000
657 0.0304 0.00000
658 0.0596 0.00000
659 0.0016 0.00000
660 -0.0191 0.00000
661 0.0292 0.00000
662 0.0857 0.00000
663 -0.0037 0.00000
664 -0.0160 0.00000
665 -0.0336 0.00000
666 -0.0146 0.00000
667 -0.0570 0.00000
668 -0.0296 0.00000
669 -0.0594 0.00000
670 0.0139 0.00000
671 -0.0425 0.00000
672 0.0087 0.00000
673 -0.0160 0.00000
674 0.0228 0.00000
675 -0.0212 0.00000
676 0.0308 0.00000
677 0.0595 0.00000
678 0.0088 0.00000
679 -0.0134 0.00000
680 -0.0053 0.00000
681 0.0300 0.00000
682 -0.0352 0.00000
683 0.1146 0.00000
684 -0.0025 0.00000
685 -0.0491 0.00000
686 -0.0178 0.00000
687 0.0117 0.00000
688 0.0463 0.00000
689 0.0143 0.00000
690 0.0136 0.00000
691 0.0248 0.00000
692 0.0624 0.00000
693 0.0102 0.00000
694 -0.0382 0.00000
695 0.0036 0.00000
696 0.0311 0.00000
697 -0.0201 0.00000
698 0.0150 0.00000
699 0.0634 0.00000
700 0.0094 0.00000
701 0.0715 0.00000
702 -0.0055 0.00000
703 0.0065 0.00000
704 -0.0484 0.00000
705 0.0369 0.00000
706 -0.0637 0.00000
707 -0.0122 0.00000
708 0.0073 0.00000
709 -0.0672 0.00000
710 0.0028 0.00000
711 0.0871 0.00000
712 0.0114 0.00000
713 -0.0119 0.00000
714 -0.0178 0.00000
715 -0.0083 0.00000
716 0.0394 0.00000
717 -0.0334 0.00000
718 -0.0285 0.00000
719 0.0177 0.00000
720 -0.0610 0.00000
721 0.0518 0.00000
722 -0.0402 0.00000
723 -0.0662 0.00000
724 -0.0238 0.00000
725 -0.0051 0.00000
726 0.0166 0.00000
727 0.0215 0.00000
728 0.0042 0.00000
729 -0.0193 0.00000
730 0.0268 0.00000
731 -0.0025 0.00000
732 0.0190 0.00000
733 0.0024 0.00000
734 0.0277 0.00000
735 -0.1037 0.00000
736 -0.0844 0.00000
737 0.0167 0.00000
738 -0.0095 0.00000
739 -0.0086 0.00000
740 0.0412 0.00000
741 0.0255 0.00000
742 -0.0295 0.00000
743 -0.0341 0.00000
744 -0.1147 0.00000
745 0.0222 0.00000
746 0.1397 0.00000
747 0.0146 0.00000
748 -0.0559 0.00000
749 -0.0523 0.00000
750 -0.0212 0.00000
751 0.0225 0.00000
752 0.0043 0.00000
753 -0.0563 0.00000
754 -0.0159 0.00000
755 0.0983 0.00000
756 -0.0120 0.00000
757 -0.0254 0.00000
758 -0.0132 0.00000
759 0.0789 0.00000
760 0.0017 0.00000
761 -0.0082 0.00000
762 -0.0343 0.00000
763 -0.0337 0.00000
764 -0.0086 0.00000
765 -0.0843 0.00000
766 0.0671 0.00000
767 -0.1102 0.00000
768 -0.0707 0.00000
769 -0.0241 0.00000
770 0.0012 0.00000
771 -0.1677 0.00000
772 0.0114 0.00000
773 0.0342 0.00000
774 -0.0781 0.00000
775 -0.0544 0.00000
776 0.0181 0.00000
777 0.0075 0.00000
778 -0.0493 0.00000
779 0.0159 0.00000
780 -0.0040 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0525 0.00000
5 -0.1038 0.00000
6 -0.0100 0.00000
7 -0.0229 0.00000
8 -0.0444 0.00000
9 -0.0418 0.00000
10 -0.0378 0.00000
11 -0.0025 0.00000
12 -0.0048 0.00000
13 -0.0984 0.00000
14 0.0658 0.00000
15 0.0864 0.00000
16 0.0260 0.00000
17 -0.0373 0.00000
18 -0.1565 0.00000
19 -0.0098 0.00000
20 0.0003 0.00000
21 -0.0749 0.00000
22 0.0244 0.00000
23 -0.0551 0.00000
24 0.0279 0.00000
25 0.0496 0.00000
26 0.0696 0.00000
27 0.0914 0.00000
28 0.0914 0.00000
29 -0.0378 0.00000
30 -0.0548 0.00000
31 0.0307 0.00000
32 0.1297 0.00000
33 -0.0355 0.00000
34 0.0077 0.00000
35 -0.0320 0.00000
36 0.0226 0.00000
37 0.0158 0.00000
38 -0.1428 0.00000
39 0.0607 0.00000
40 0.0320 0.00000
41 -0.2404 0.00000
42 -0.0115 0.00000
43 0.0125 0.00000
44 -0.1602 0.00000
45 0.0613 0.00000
46 0.0349 0.00000
47 0.0055 0.00000
48 -0.0134 0.00000
49 -0.0298 0.00000
50 0.0227 0.00000
51 0.0271 0.00000
52 -0.0281 0.00000
53 -0.0097 0.00000
54 -0.0152 0.00000
55 -0.0195 0.00000
56 0.0393 0.00000
57 -0.0173 0.00000
58 -0.1325 0.00000
59 0.0454 0.00000
60 0.0626 0.00000
61 0.0368 0.00000
62 0.0510 0.00000
63 0.0743 0.00000
64 -0.0184 0.00000
65 -0.1808 0.00000
66 0.0027 0.00000
67 0.0233 0.00000
68 -0.0683 0.00000
69 -0.0300 0.00000
70 -0.0267 0.00000
71 -0.0924 0.00000
72 -0.0933 0.00000
73 -0.0445 0.00000
74 -0.0676 0.00000
75 -0.0578 0.00000
76 0.0319 0.00000
77 -0.0185 0.00000
78 -0.0572 0.00000
79 -0.2585 0.00000
80 -0.0267 0.00000
81 0.0536 0.00000
82 0.0796 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0412 0.00000
90 0.0607 0.00000
91 0.0504 0.00000
92 0.0650 0.00000
93 0.0125 0.00000
94 -0.0772 0.00000
95 0.0300 0.00000
96 0.0656 0.00000
97 -0.0676 0.00000
98 0.2247 0.00000
99 0.1035 0.00000
100 0.8480 0.00000
101 0.1128 0.00000
102 0.0359 0.00000
103 0.0488 0.00000
104 0.1079 0.00000
105 -0.0189 0.00000
106 0.0073 0.00000
107 -0.0974 0.00000
108 0.0617 0.00000
109 0.0682 0.00000
110 0.0304 0.00000
111 0.0189 0.00000
112 0.0236 0.00000
113 -0.0145 0.00000
114 0.0355 0.00000
115 -0.5618 0.00000
116 -0.0760 0.00000
117 -0.4061 0.00000
118 0.0140 0.00000
119 -0.0750 0.00000
120 -0.0241 0.00000
121 0.0523 0.00000
122 0.0387 0.00000
123 0.0544 0.00000
124 0.1002 0.00000
125 0.1111 0.00000
126 0.6110 0.00000
127 -0.0515 0.00000
128 -0.0514 0.00000
129 0.0754 0.00000
130 0.1913 0.00000
131 0.0265 0.00000
132 -0.0361 0.00000
133 -0.0064 0.00000
134 0.1908 0.00000
135 -0.0325 0.00000
136 -0.0803 0.00000
137 -0.0630 0.00000
138 -0.4975 0.00000
139 0.0524 0.00000
140 -0.0043 0.00000
141 0.0162 0.00000
142 -0.1124 0.00000
143 0.0150 0.00000
144 -0.0050 0.00000
145 -0.0427 0.00000
146 -0.0913 0.00000
147 -0.1215 0.00000
148 0.0189 0.00000
149 -0.1274 0.00000
150 0.0346 0.00000
151 0.0009 0.00000
152 -0.0028 0.00000
153 -0.0158 0.00000
154 -0.0275 0.00000
155 -0.0026 0.00000
156 0.0380 0.00000
157 0.0130 0.00000
158 0.0743 0.00000
159 -0.0545 0.00000
160 0.0052 0.00000
161 0.0078 0.00000
162 0.0225 0.00000
163 0.0704 0.00000
164 -0.0302 0.00000
165 0.0884 0.00000
166 -0.0006 0.00000
167 -0.0284 0.00000
168 0.0129 0.00000
169 -0.0445 0.00000
170 -0.0718 0.00000
171 -0.0556 0.00000
172 0.0184 0.00000
173 -0.1487 0.00000
174 0.0172 0.00000
175 -0.0297 0.00000
176 0.0610 0.00000
177 0.0127 0.00000
178 -0.0888 0.00000
179 -0.0184 0.00000
180 -0.0179 0.00000
181 0.0008 0.00000
182 -0.0338 0.00000
183 0.0103 0.00000
184 -0.0378 0.00000
185 0.0180 0.00000
186 0.0105 0.00000
187 -0.0052 0.00000
188 0.0429 0.00000
189 0.0133 0.00000
190 0.0478 0.00000
191 -0.0227 0.00000
192 -0.0628 0.00000
193 -0.0349 0.00000
194 -0.0832 0.00000
195 -0.0431 0.00000
196 -0.0299 0.00000
197 0.0089 0.00000
198 0.0648 0.00000
199 -0.0380 0.00000
200 -0.0231 0.00000
201 0.0154 0.00000
202 0.0509 0.00000
203 0.0440 0.00000
204 -0.0073 0.00000
205 0.0038 0.00000
206 -0.0703 0.00000
207 -0.0252 0.00000
208 -0.0221 0.00000
209 0.0003 0.00000
210 -0.0011 0.00000
211 0.0460 0.00000
212 -0.0505 0.00000
213 -0.0249 0.00000
214 -0.0381 0.00000
215 0.0246 0.00000
216 -0.0253 0.00000
217 -0.0322 0.00000
218 -0.0216 0.00000
219 0.1025 0.00000
220 0.0249 0.00000
221 0.0942 0.00000
222 -0.0242 0.00000
223 -0.0433 0.00000
224 0.0069 0.00000
225 -0.1242 0.00000
226 -0.1705 0.00000
227 -0.0346 0.00000
228 -0.0283 0.00000
229 -0.0937 0.00000
230 0.0077 0.00000
231 0.0665 0.00000
232 -0.0830 0.00000
233 -0.1018 0.00000
234 0.0213 0.00000
235 0.0539 0.00000
236 0.0228 0.00000
237 0.0446 0.00000
238 0.0458 0.00000
239 -0.0215 0.00000
240 0.1056 0.00000
241 0.0695 0.00000
242 0.1041 0.00000
243 0.0543 0.00000
244 0.0192 0.00000
245 -0.0329 0.00000
246 0.0831 0.00000
247 -0.0065 0.00000
248 0.1316 0.00000
249 0.0761 0.00000
250 0.0480 0.00000
251 0.0115 0.00000
252 0.0178 0.00000
253 -0.0078 0.00000
254 0.0243 0.00000
255 -0.0160 0.00000
256 0.0667 0.00000
257 0.0760 0.00000
258 -0.0451 0.00000
259 0.0631 0.00000
260 0.0833 0.00000
261 -0.0220 0.00000
262 0.0212 0.00000
263 -0.0019 0.00000
264 0.0626 0.00000
265 0.0013 0.00000
266 0.0130 0.00000
267 0.0276 0.00000
268 -0.0547 0.00000
269 0.0053 0.00000
270 0.0370 0.00000
271 0.0190 0.00000
272 -0.0036 0.00000
273 0.0368 0.00000
274 0.1197 0.00000
275 -0.0530 0.00000
276 0.0195 0.00000
277 0.1225 0.00000
278 0.0097 0.00000
279 -0.0361 0.00000
280 0.0752 0.00000
281 -0.0269 0.00000
282 0.0185 0.00000
283 0.0356 0.00000
284 0.0286 0.00000
285 0.1090 0.00000
286 -0.0410 0.00000
287 0.0181 0.00000
288 0.0118 0.00000
289 -0.0997 0.00000
290 0.1333 0.00000
291 0.1369 0.00000
292 -0.0031 0.00000
293 -0.0227 0.00000
294 0.1146 0.00000
295 0.0170 0.00000
296 0.0831 0.00000
297 0.0323 0.00000
298 0.0654 0.00000
299 0.0530 0.00000
300 -0.1431 0.00000
301 0.0637 0.00000
302 0.0214 0.00000
303 0.0392 0.00000
304 0.0733 0.00000
305 -0.0258 0.00000
306 -0.0153 0.00000
307 0.1908 0.00000
308 0.0816 0.00000
309 0.0192 0.00000
310 0.0425 0.00000
311 0.2016 0.00000
312 0.0091 0.00000
313 0.0676 0.00000
314 0.0869 0.00000
315 -0.0057 0.00000
316 0.1309 0.00000
317 -0.0244 0.00000
318 -0.0071 0.00000
319 0.0783 0.00000
320 -0.1088 0.00000
321 0.0774 0.00000
322 0.0901 0.00000
323 0.0047 0.00000
324 0.1234 0.00000
325 -0.0448 0.00000
326 0.0125 0.00000
327 0.0452 0.00000
328 0.0331 0.00000
329 -0.0943 0.00000
330 0.0107 0.00000
331 -0.2088 0.00000
332 -0.0179 0.00000
333 -0.0957 0.00000
334 0.0350 0.00000
335 -0.2536 0.00000
336 -0.1695 0.00000
337 -0.0063 0.00000
338 0.2042 0.00000
339 0.1027 0.00000
340 0.0068 0.00000
341 -0.0423 0.00000
342 0.0152 0.00000
343 0.0085 0.00000
344 -0.0898 0.00000
345 -0.0500 0.00000
346 0.0002 0.00000
347 -0.0142 0.00000
348 -0.0929 0.00000
349 -0.1047 0.00000
350 0.0027 0.00000
351 -0.0422 0.00000
352 -0.0232 0.00000
353 -0.0369 0.00000
354 -0.0331 0.00000
355 0.0965 0.00000
356 0.0202 0.00000
357 -0.0059 0.00000
358 0.0028 0.00000
359 0.0464 0.00000
360 -0.0202 0.00000
361 -0.0028 0.00000
362 0.0842 0.00000
363 0.0328 0.00000
364 -0.0857 0.00000
365 -0.0165 0.00000
366 -0.0309 0.00000
367 -0.0107 0.00000
368 0.0043 0.00000
369 0.0503 0.00000
370 -0.0277 0.00000
371 -0.0079 0.00000
372 0.1236 0.00000
373 0.0301 0.00000
374 -0.0007 0.00000
375 -0.0470 0.00000
376 -0.0048 0.00000
377 0.0001 0.00000
378 -0.0154 0.00000
379 -0.0138 0.00000
380 -0.0090 0.00000
381 -0.0230 0.00000
382 -0.0640 0.00000
383 0.0009 0.00000
384 -0.0266 0.00000
385 -0.0309 0.00000
386 0.0193 0.00000
387 -0.0318 0.00000
388 -0.0087 0.00000
389 0.0018 0.00000
390 -0.0164 0.00000
391 -0.0344 0.00000
392 0.0328 0.00000
393 0.0292 0.00000
394 0.0794 0.00000
395 0.0126 0.00000
396 -0.0422 0.00000
397 -0.0623 0.00000
398 -0.0130 0.00000
399 -0.0512 0.00000
400 -0.0265 0.00000
401 -0.0025 0.00000
402 -0.0670 0.00000
403 -0.0239 0.00000
404 0.0376 0.00000
405 -0.0311 0.00000
406 0.0082 0.00000
407 -0.0036 0.00000
408 -0.0148 0.00000
409 0.0678 0.00000
410 -0.0869 0.00000
411 -0.0889 0.00000
412 -0.0524 0.00000
413 -0.0154 0.00000
414 -0.0404 0.00000
415 -0.0760 0.00000
416 -0.1121 0.00000
417 0.0162 0.00000
418 -0.0709 0.00000
419 -0.0174 0.00000
420 -0.0387 0.00000
421 -0.0207 0.00000
422 0.0023 0.00000
423 -0.0529 0.00000
424 -0.0610 0.00000
425 -0.0144 0.00000
426 0.0001 0.00000
427 0.0144 0.00000
428 -0.0538 0.00000
429 -0.0055 0.00000
430 -0.0218 0.00000
431 -0.0379 0.00000
432 -0.0098 0.00000
433 -0.0107 0.00000
434 -0.0032 0.00000
435 -0.0316 0.00000
436 0.0066 0.00000
437 -0.0097 0.00000
438 -0.0214 0.00000
439 -0.0448 0.00000
440 -0.0153 0.00000
441 -0.0497 0.00000
442 0.0089 0.00000
443 -0.0132 0.00000
444 -0.0233 0.00000
445 -0.0976 0.00000
446 -0.0563 0.00000
447 0.0008 0.00000
448 -0.0230 0.00000
449 -0.0175 0.00000
450 -0.0774 0.00000
451 -0.0151 0.00000
452 0.0113 0.00000
453 0.0288 0.00000
454 0.0141 0.00000
455 -0.0122 0.00000
456 -0.0451 0.00000
457 -0.0289 0.00000
458 0.0146 0.00000
459 -0.0197 0.00000
460 0.0016 0.00000
461 -0.0258 0.00000
462 0.0601 0.00000
463 -0.0197 0.00000
464 -0.0428 0.00000
465 -0.0122 0.00000
466 -0.0176 0.00000
467 0.0250 0.00000
468 0.0445 0.00000
469 -0.0180 0.00000
470 0.0083 0.00000
471 0.0100 0.00000
472 0.0025 0.00000
473 -0.0187 0.00000
474 0.0721 0.00000
475 0.0531 0.00000
476 -0.0197 0.00000
477 -0.0002 0.00000
478 0.0502 0.00000
479 0.0240 0.00000
480 0.0214 0.00000
481 0.0019 0.00000
482 0.1159 0.00000
483 0.0052 0.00000
484 -0.0101 0.00000
485 -0.0138 0.00000
486 -0.0485 0.00000
487 -0.0338 0.00000
488 0.0372 0.00000
489 -0.0488 0.00000
490 0.0330 0.00000
491 0.0230 0.00000
492 -0.0179 0.00000
493 -0.0325 0.00000
494 -0.0257 0.00000
495 0.0169 0.00000
496 -0.0031 0.00000
497 -0.0205 0.00000
498 -0.0338 0.00000
499 0.0126 0.00000
500 0.0201 0.00000
501 -0.0253 0.00000
502 -0.0383 0.00000
503 -0.0634 0.00000
504 -0.0215 0.00000
505 -0.0034 0.00000
506 0.0118 0.00000
507 0.0013 0.00000
508 -0.0048 0.00000
509 0.0130 0.00000
510 0.0023 0.00000
511 -0.0061 0.00000
512 -0.0046 0.00000
513 0.0399 0.00000
514 -0.0020 0.00000
515 0.0098 0.00000
516 -0.0241 0.00000
517 -0.0080 0.00000
518 -0.0359 0.00000
519 -0.0086 0.00000
520 0.0014 0.00000
521 -0.0178 0.00000
522 -0.0227 0.00000
523 -0.0336 0.00000
524 -0.0128 0.00000
525 0.0016 0.00000
526 -0.0372 0.00000
527 -0.0228 0.00000
528 -0.0376 0.00000
529 -0.0385 0.00000
530 -0.0608 0.00000
531 0.0109 0.00000
532 0.0333 0.00000
533 -0.0470 0.00000
534 -0.0650 0.00000
535 -0.0049 0.00000
536 -0.1260 0.00000
537 -0.0270 0.00000
538 -0.0590 0.00000
539 0.0013 0.00000
540 -0.0077 0.00000
541 -0.0156 0.00000
542 -0.0210 0.00000
543 -0.0240 0.00000
544 0.0220 0.00000
545 -0.0093 0.00000
546 0.0588 0.00000
547 -0.0456 0.00000
548 -0.0189 0.00000
549 -0.0521 0.00000
550 -0.0070 0.00000
551 -0.0024 0.00000
552 -0.0121 0.00000
553 -0.0529 0.00000
554 0.0229 0.00000
555 -0.0153 0.00000
556 0.0256 0.00000
557 -0.0328 0.00000
558 0.0145 0.00000
559 -0.0203 0.00000
560 0.0155 0.00000
561 0.0008 0.00000
562 -0.0101 0.00000
563 -0.0319 0.00000
564 0.0073 0.00000
565 -0.0436 0.00000
566 -0.0367 0.00000
567 -0.0190 0.00000
568 -0.0430 0.00000
569 -0.0081 0.00000
570 -0.0165 0.00000
571 -0.0856 0.00000
572 0.0287 0.00000
573 -0.0835 0.00000
574 -0.0270 0.00000
575 -0.0025 0.00000
576 0.0671 0.00000
577 0.0009 0.00000
578 -0.0290 0.00000
579 0.0487 0.00000
580 0.0154 0.00000
581 -0.0788 0.00000
582 0.1752 0.00000
583 -0.0143 0.00000
584 -0.0883 0.00000
585 -0.0991 0.00000
586 -0.0480 0.00000
587 0.0099 0.00000
588 -0.0945 0.00000
589 0.0715 0.00000
590 -0.0633 0.00000
591 -0.0407 0.00000
592 -0.0827 0.00000
593 -0.0708 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0488 0.00000
597 0.0492 0.00000
598 0.0050 0.00000
599 0.0207 0.00000
600 0.0277 0.00000
601 -0.0097 0.00000
602 0.0278 0.00000
603 -0.0371 0.00000
604 0.0159 0.00000
605 0.1298 0.00000
606 0.0671 0.00000
607 0.0165 0.00000
608 0.0463 0.00000
609 0.0691 0.00000
610 -0.0073 0.00000
611 0.0068 0.00000
612 0.0737 0.00000
613 0.0244 0.00000
614 0.0423 0.00000
615 0.0705 0.00000
616 0.0150 0.00000
617 0.0489 0.00000
618 0.0819 0.00000
619 -0.0898 0.00000
620 0.0325 0.00000
621 0.0300 0.00000
622 0.0916 0.00000
623 -0.0063 0.00000
624 -0.0289 0.00000
625 -0.0533 0.00000
626 0.0604 0.00000
627 0.0268 0.00000
628 0.0463 0.00000
629 0.0088 0.00000
630 0.0419 0.00000
631 0.0643 0.00000
632 0.0314 0.00000
633 -0.0404 0.00000
634 0.0062 0.00000
635 0.0594 0.00000
636 0.0488 0.00000
637 0.0273 0.00000
638 -0.0341 0.00000
639 0.0158 0.00000
640 0.0224 0.00000
641 0.0228 0.00000
642 0.0698 0.00000
643 0.0279 0.00000
644 0.0325 0.00000
645 0.0069 0.00000
646 -0.0945 0.00000
647 -0.0336 0.00000
648 -0.0041 0.00000
649 -0.0098 0.00000
650 -0.0261 0.00000
651 -0.0039 0.00000
652 0.0124 0.00000
653 -0.0956 0.00000
654 0.0148 0.00000
655 0.0438 0.00000
656 -0.0183 0.00000
657 0.0119 0.00000
658 -0.0295 0.00000
659 -0.0035 0.00000
660 0.0021 0.00000
661 -0.0434 0.00000
662 -0.0206 0.00000
663 -0.0566 0.00000
664 0.0310 0.00000
665 0.0111 0.00000
666 0.0063 0.00000
667 -0.0533 0.00000
668 -0.0252 0.00000
669 0.0083 0.00000
670 -0.0046 0.00000
671 0.0074 0.00000
672 -0.0357 0.00000
673 0.0285 0.00000
674 0.0004 0.00000
675 -0.0333 0.00000
676 0.0074 0.00000
677 0.0015 0.00000
678 0.1211 0.00000
679 -0.0133 0.00000
680 0.0074 0.00000
681 -0.0465 0.00000
682 -0.0006 0.00000
683 0.1322 0.00000
684 -0.0490 0.00000
685 0.0010 0.00000
686 -0.0227 0.00000
687 -0.0221 0.00000
688 -0.0114 0.00000
689 -0.0041 0.00000
690 0.2143 0.00000
691 -0.0261 0.00000
692 0.0533 0.00000
693 0.0268 0.00000
694 0.0620 0.00000
695 -0.0927 0.00000
696 0.0545 0.00000
697 0.0236 0.00000
698 -0.0513 0.00000
699 0.0137 0.00000
700 -0.0165 0.00000
701 0.1327 0.00000
702 -0.0101 0.00000
703 -0.0411 0.00000
704 -0.0156 0.00000
705 0.0139 0.00000
706 0.0155 0.00000
707 -0.0004 0.00000
708 -0.0312 0.00000
709 0.0343 0.00000
710 -0.0208 0.00000
711 0.0542 0.00000
712 0.0594 0.00000
713 0.0313 0.00000
714 -0.0136 0.00000
715 0.0302 0.00000
716 -0.0219 0.00000
717 -0.0192 0.00000
718 -0.0822 0.00000
719 0.0082 0.00000
720 -0.0099 0.00000
721 0.0052 0.00000
722 0.0404 0.00000
723 -0.0472 0.00000
724 0.0401 0.00000
725 0.0066 0.00000
726 -0.0385 0.00000
727 -0.0480 0.00000
728 0.0121 0.00000
729 0.0451 0.00000
730 -0.0856 0.00000
731 0.0189 0.00000
732 -0.1415 0.00000
733 0.0019 0.00000
734 0.0239 0.00000
735 -0.0679 0.00000
736 0.0501 0.00000
737 -0.0430 0.00000
738 0.0117 0.00000
739 -0.1568 0.00000
740 0.0376 0.00000
741 -0.0080 0.00000
742 0.0163 0.00000
743 0.0049 0.00000
744 0.0136 0.00000
745 0.0512 0.00000
746 -0.0211 0.00000
747 -0.0005 0.00000
748 -0.0381 0.00000
749 -0.0529 0.00000
750 0.0222 0.00000
751 -0.0156 0.00000
752 -0.0324 0.00000
753 -0.0188 0.00000
754 -0.2058 0.00000
755 -0.0256 0.00000
756 -0.0956 0.00000
757 -0.0032 0.00000
758 0.0238 0.00000
759 -0.0248 0.00000
760 0.0136 0.00000
761 -0.0147 0.00000
762 -0.0139 0.00000
763 -0.0220 0.00000
764 -0.0387 0.00000
765 0.0211 0.00000
766 0.0050 0.00000
767 -0.0345 0.00000
768 -0.0050 0.00000
769 0.0284 0.00000
770 -0.0012 0.00000
771 -0.0154 0.00000
772 -0.0283 0.00000
773 0.0313 0.00000
774 0.1036 0.00000
775 -0.0280 0.00000
776 -0.0624 0.00000
777 0.0103 0.00000
778 -0.0633 0.00000
779 0.0013 0.00000
780 -0.0260 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0523 0.00000
5 -0.1037 0.00000
6 -0.0104 0.00000
7 -0.0227 0.00000
8 -0.0448 0.00000
9 -0.0411 0.00000
10 -0.0376 0.00000
11 -0.0022 0.00000
12 -0.0056 0.00000
13 -0.0996 0.00000
14 0.0673 0.00000
15 0.0856 0.00000
16 0.0481 0.00000
17 -0.1065 0.00000
18 -0.1022 0.00000
19 -0.0166 0.00000
20 0.0032 0.00000
21 -0.0747 0.00000
22 0.0200 0.00000
23 -0.0431 0.00000
24 0.0163 0.00000
25 0.0586 0.00000
26 0.1128 0.00000
27 0.0597 0.00000
28 -0.0246 0.00000
29 -0.0084 0.00000
30 -0.0346 0.00000
31 0.0958 0.00000
32 0.1200 0.00000
33 -0.0187 0.00000
34 -0.0133 0.00000
35 -0.0278 0.00000
36 0.0269 0.00000
37 0.0214 0.00000
38 -0.1619 0.00000
39 0.0315 0.00000
40 0.0494 0.00000
41 -0.2619 0.00000
42 0.0187 0.00000
43 0.0125 0.00000
44 0.0491 0.00000
45 -0.1513 0.00000
46 -0.0051 0.00000
47 0.0536 0.00000
48 0.0304 0.00000
49 -0.0379 0.00000
50 -0.0274 0.00000
51 0.0337 0.00000
52 -0.0220 0.00000
53 -0.0115 0.00000
54 -0.0301 0.00000
55 -0.0004 0.00000
56 0.0374 0.00000
57 -0.0178 0.00000
58 -0.0981 0.00000
59 0.0030 0.00000
60 0.0514 0.00000
61 0.0167 0.00000
62 0.1038 0.00000
63 -0.0005 0.00000
64 0.0277 0.00000
65 -0.1557 0.00000
66 -0.0356 0.00000
67 -0.0433 0.00000
68 0.0333 0.00000
69 -0.0456 0.00000
70 -0.0920 0.00000
71 -0.0216 0.00000
72 -0.0930 0.00000
73 -0.0342 0.00000
74 -0.0645 0.00000
75 -0.0563 0.00000
76 0.0292 0.00000
77 -0.0170 0.00000
78 -0.2765 0.00000
79 -0.0483 0.00000
80 -0.0267 0.00000
81 0.0536 0.00000
82 0.0787 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0403 0.00000
90 0.0640 0.00000
91 0.0300 0.00000
92 0.0784 0.00000
93 -0.0014 0.00000
94 -0.0749 0.00000
95 0.0359 0.00000
96 0.0753 0.00000
97 -0.0458 0.00000
98 0.4923 0.00000
99 0.2972 0.00000
100 -0.0975 0.00000
101 0.5594 0.00000
102 0.0568 0.00000
103 0.0625 0.00000
104 0.0653 0.00000
105 0.0070 0.00000
106 -0.0000 0.00000
107 0.0001 0.00000
108 0.0743 0.00000
109 0.0258 0.00000
110 -0.0305 0.00000
111 0.0306 0.00000
112 0.0369 0.00000
113 0.0066 0.00000
114 -0.4190 0.00000
115 -0.2020 0.00000
116 -0.0223 0.00000
117 -0.3965 0.00000
118 0.0165 0.00000
119 -0.0587 0.00000
120 -0.0341 0.00000
121 0.0370 0.00000
122 0.0630 0.00000
123 0.0326 0.00000
124 0.1314 0.00000
125 0.0803 0.00000
126 0.4838 0.00000
127 -0.0746 0.00000
128 0.1213 0.00000
129 0.0804 0.00000
130 0.1802 0.00000
131 0.0570 0.00000
132 -0.0828 0.00000
133 -0.0056 0.00000
134 0.1729 0.00000
135 -0.0349 0.00000
136 -0.0846 0.00000
137 -0.0561 0.00000
138 -0.4818 0.00000
139 0.0495 0.00000
140 -0.0033 0.00000
141 0.0119 0.00000
142 -0.1170 0.00000
143 0.0151 0.00000
144 -0.0069 0.00000
145 -0.0440 0.00000
146 -0.0880 0.00000
147 -0.1222 0.00000
148 0.0352 0.00000
149 -0.1457 0.00000
150 0.0302 0.00000
151 0.0120 0.00000
152 0.0084 0.00000
153 -0.0142 0.00000
154 -0.0737 0.00000
155 -0.0316 0.00000
156 0.0799 0.00000
157 0.0114 0.00000
158 0.0219 0.00000
159 0.0838 0.00000
160 0.0649 0.00000
161 -0.0514 0.00000
162 -0.0213 0.00000
163 -0.0739 0.00000
164 0.0819 0.00000
165 0.0695 0.00000
166 -0.0016 0.00000
167 -0.1313 0.00000
168 -0.0116 0.00000
169 -0.0118 0.00000
170 0.0284 0.00000
171 -0.0155 0.00000
172 -0.0137 0.00000
173 0.0056 0.00000
174 -0.0296 0.00000
175 -0.0253 0.00000
176 -0.0062 0.00000
177 -0.1142 0.00000
178 -0.0451 0.00000
179 -0.0612 0.00000
180 -0.0198 0.00000
181 0.0435 0.00000
182 0.0051 0.00000
183 -0.0129 0.00000
184 -0.0108 0.00000
185 0.0234 0.00000
186 0.0163 0.00000
187 0.0311 0.00000
188 0.0616 0.00000
189 -0.0162 0.00000
190 -0.0253 0.00000
191 0.0101 0.00000
192 -0.0193 0.00000
193 -0.1362 0.00000
194 -0.0273 0.00000
195 0.0301 0.00000
196 -0.0320 0.00000
197 0.0101 0.00000
198 0.0905 0.00000
199 -0.0484 0.00000
200 -0.0844 0.00000
201 0.0166 0.00000
202 0.0254 0.00000
203 -0.0069 0.00000
204 0.0512 0.00000
205 -0.0346 0.00000
206 -0.0585 0.00000
207 -0.0136 0.00000
208 -0.0268 0.00000
209 -0.0093 0.00000
210 0.0847 0.00000
211 -0.0153 0.00000
212 -0.0187 0.00000
213 -0.0398 0.00000
214 -0.0328 0.00000
215 0.0210 0.00000
216 0.0171 0.00000
217 -0.0401 0.00000
218 -0.0234 0.00000
219 0.0277 0.00000
220 -0.0115 0.00000
221 0.1301 0.00000
222 0.0052 0.00000
223 -0.0299 0.00000
224 -0.0017 0.00000
225 -0.0056 0.00000
226 -0.2477 0.00000
227 -0.0700 0.00000
228 -0.0265 0.00000
229 -0.0910 0.00000
230 -0.0016 0.00000
231 0.0678 0.00000
232 -0.0793 0.00000
233 -0.1029 0.00000
234 0.0146 0.00000
235 0.0702 0.00000
236 0.0103 0.00000
237 0.0556 0.00000
238 0.0548 0.00000
239 0.0395 0.00000
240 0.0346 0.00000
241 0.0421 0.00000
242 0.0707 0.00000
243 0.0332 0.00000
244 -0.0729 0.00000
245 0.1339 0.00000
246 0.0504 0.00000
247 0.0454 0.00000
248 0.1444 0.00000
249 0.0680 0.00000
250 0.0228 0.00000
251 -0.0030 0.00000
252 -0.0268 0.00000
253 0.1057 0.00000
254 0.0306 0.00000
255 0.0284 0.00000
256 0.0826 0.00000
257 -0.0158 0.00000
258 0.0261 0.00000
259 -0.0197 0.00000
260 -0.0261 0.00000
261 0.0729 0.00000
262 0.0250 0.00000
263 0.0048 0.00000
264 0.0023 0.00000
265 -0.0075 0.00000
266 0.0376 0.00000
267 -0.0263 0.00000
268 0.0287 0.00000
269 -0.0517 0.00000
270 0.0810 0.00000
271 -0.0044 0.00000
272 0.0334 0.00000
273 0.0354 0.00000
274 0.0658 0.00000
275 0.1546 0.00000
276 0.0298 0.00000
277 -0.0529 0.00000
278 -0.0162 0.00000
279 0.0797 0.00000
280 -0.0219 0.00000
281 -0.0152 0.00000
282 0.0284 0.00000
283 -0.0401 0.00000
284 -0.0028 0.00000
285 0.0011 0.00000
286 0.0423 0.00000
287 0.0526 0.00000
288 0.0546 0.00000
289 0.0632 0.00000
290 0.1444 0.00000
291 -0.0249 0.00000
292 0.0414 0.00000
293 0.0438 0.00000
294 0.0455 0.00000
295 0.0059 0.00000
296 0.0272 0.00000
297 -0.0165 0.00000
298 0.0009 0.00000
299 0.1243 0.00000
300 0.0963 0.00000
301 0.0899 0.00000
302 0.0593 0.00000
303 0.0541 0.00000
304 -0.0971 0.00000
305 0.1083 0.00000
306 0.0098 0.00000
307 0.0290 0.00000
308 0.0081 0.00000
309 0.0208 0.00000
310 0.1138 0.00000
311 -0.0146 0.00000
312 0.1885 0.00000
313 0.0605 0.00000
314 0.0180 0.00000
315 0.1115 0.00000
316 0.0164 0.00000
317 -0.0071 0.00000
318 0.0218 0.00000
319 0.0027 0.00000
320 0.0089 0.00000
321 0.0672 0.00000
322 0.0940 0.00000
323 0.0539 0.00000
324 -0.0012 0.00000
325 -0.0094 0.00000
326 -0.0295 0.00000
327 0.0039 0.00000
328 -0.0326 0.00000
329 -0.0051 0.00000
330 0.0192 0.00000
331 -0.0746 0.00000
332 0.0148 0.00000
333 -0.0775 0.00000
334 -0.0629 0.00000
335 0.0254 0.00000
336 -0.0851 0.00000
337 -0.0793 0.00000
338 -0.0490 0.00000
339 0.0323 0.00000
340 -0.0005 0.00000
341 -0.0076 0.00000
342 0.0134 0.00000
343 -0.0425 0.00000
344 -0.0049 0.00000
345 0.0365 0.00000
346 -0.0325 0.00000
347 -0.1683 0.00000
348 0.0052 0.00000
349 -0.0224 0.00000
350 -0.0604 0.00000
351 -0.0137 0.00000
352 -0.0306 0.00000
353 0.0184 0.00000
354 0.0422 0.00000
355 -0.0493 0.00000
356 -0.0418 0.00000
357 0.0147 0.00000
358 -0.0034 0.00000
359 0.0457 0.00000
360 -0.0265 0.00000
361 -0.0230 0.00000
362 0.0942 0.00000
363 -0.0096 0.00000
364 -0.0617 0.00000
365 -0.1485 0.00000
366 -0.0435 0.00000
367 0.0138 0.00000
368 0.0089 0.00000
369 0.0778 0.00000
370 -0.0254 0.00000
371 -0.0093 0.00000
372 0.2634 0.00000
373 -0.0067 0.00000
374 -0.0206 0.00000
375 -0.0038 0.00000
376 -0.0172 0.00000
377 -0.0710 0.00000
378 -0.0002 0.00000
379 -0.0063 0.00000
380 0.0141 0.00000
381 0.0323 0.00000
382 -0.0588 0.00000
383 -0.0203 0.00000
384 -0.0166 0.00000
385 0.0189 0.00000
386 -0.0035 0.00000
387 -0.0117 0.00000
388 -0.0273 0.00000
389 -0.0070 0.00000
390 0.0001 0.00000
391 -0.0177 0.00000
392 -0.0084 0.00000
393 -0.0248 0.00000
394 0.0047 0.00000
395 -0.0296 0.00000
396 -0.0574 0.00000
397 -0.0499 0.00000
398 0.1107 0.00000
399 0.0128 0.00000
400 -0.0130 0.00000
401 -0.0113 0.00000
402 -0.0037 0.00000
403 0.0261 0.00000
404 0.0030 0.00000
405 -0.0487 0.00000
406 -0.0071 0.00000
407 -0.0680 0.00000
408 -0.0611 0.00000
409 -0.0241 0.00000
410 -0.0676 0.00000
411 -0.0725 0.00000
412 -0.0379 0.00000
413 -0.0113 0.00000
414 -0.0399 0.00000
415 -0.0551 0.00000
416 -0.0425 0.00000
417 -0.0328 0.00000
418 -0.0041 0.00000
419 -0.0080 0.00000
420 -0.0714 0.00000
421 -0.0410 0.00000
422 -0.0104 0.00000
423 -0.0231 0.00000
424 -0.0364 0.00000
425 -0.0222 0.00000
426 -0.0145 0.00000
427 -0.0203 0.00000
428 -0.0295 0.00000
429 -0.0221 0.00000
430 -0.0166 0.00000
431 -0.0389 0.00000
432 -0.0135 0.00000
433 -0.0361 0.00000
434 -0.0407 0.00000
435 -0.0471 0.00000
436 -0.0106 0.00000
437 0.0116 0.00000
438 -0.0166 0.00000
439 -0.0403 0.00000
440 0.0047 0.00000
441 -0.0106 0.00000
442 -0.0332 0.00000
443 -0.0240 0.00000
444 -0.0220 0.00000
445 -0.0763 0.00000
446 -0.0285 0.00000
447 0.0066 0.00000
448 0.0600 0.00000
449 -0.0070 0.00000
450 -0.0388 0.00000
451 -0.0347 0.00000
452 -0.0051 0.00000
453 0.0033 0.00000
454 -0.0154 0.00000
455 -0.0261 0.00000
456 -0.0418 0.00000
457 0.0135 0.00000
458 -0.0302 0.00000
459 0.0206 0.00000
460 -0.0238 0.00000
461 -0.0059 0.00000
462 -0.0177 0.00000
463 -0.0396 0.00000
464 -0.0037 0.00000
465 -0.0148 0.00000
466 -0.0070 0.00000
467 -0.0013 0.00000
468 -0.0240 0.00000
469 0.0649 0.00000
470 -0.0692 0.00000
471 0.0097 0.00000
472 0.0411 0.00000
473 0.0226 0.00000
474 0.0729 0.00000
475 -0.0280 0.00000
476 -0.0076 0.00000
477 0.0369 0.00000
478 0.0234 0.00000
479 -0.0828 0.00000
480 0.0076 0.00000
481 0.0328 0.00000
482 0.0342 0.00000
483 0.0211 0.00000
484 0.0270 0.00000
485 0.0099 0.00000
486 0.0565 0.00000
487 -0.0060 0.00000
488 0.0215 0.00000
489 -0.0003 0.00000
490 -0.0038 0.00000
491 0.0260 0.00000
492 -0.0691 0.00000
493 0.0013 0.00000
494 0.0069 0.00000
495 0.0154 0.00000
496 0.0230 0.00000
497 -0.0351 0.00000
498 -0.0043 0.00000
499 0.0004 0.00000
500 0.0249 0.00000
501 -0.0286 0.00000
502 -0.0128 0.00000
503 -0.0063 0.00000
504 0.0040 0.00000
505 -0.0094 0.00000
506 0.0052 0.00000
507 -0.0556 0.00000
508 -0.0445 0.00000
509 0.0009 0.00000
510 -0.0181 0.00000
511 -0.0016 0.00000
512 0.0218 0.00000
513 0.0397 0.00000
514 0.0361 0.00000
515 -0.0742 0.00000
516 -0.0084 0.00000
517 -0.0104 0.00000
518 -0.0255 0.00000
519 -0.0296 0.00000
520 -0.0221 0.00000
521 0.0111 0.00000
522 -0.0021 0.00000
523 0.0287 0.00000
524 0.0020 0.00000
525 -0.0501 0.00000
526 -0.0320 0.00000
527 -0.0292 0.00000
528 -0.0432 0.00000
529 -0.0562 0.00000
530 -0.0071 0.00000
531 -0.0600 0.00000
532 -0.0070 0.00000
533 -0.0149 0.00000
534 -0.0627 0.00000
535 -0.0238 0.00000
536 -0.0010 0.00000
537 -0.0977 0.00000
538 -0.0306 0.00000
539 -0.0642 0.00000
540 -0.0041 0.00000
541 0.0231 0.00000
542 -0.0522 0.00000
543 0.0157 0.00000
544 -0.0035 0.00000
545 -0.0598 0.00000
546 -0.0131 0.00000
547 0.0845 0.00000
548 -0.0680 0.00000
549 -0.0565 0.00000
550 -0.0006 0.00000
551 -0.0115 0.00000
552 0.0115 0.00000
553 0.0178 0.00000
554 0.0045 0.00000
555 -0.0371 0.00000
556 0.0080 0.00000
557 0.0130 0.00000
558 -0.0164 0.00000
559 -0.0139 0.00000
560 -0.0615 0.00000
561 -0.0313 0.00000
562 0.0077 0.00000
563 -0.0381 0.00000
564 0.0143 0.00000
565 -0.0357 0.00000
566 0.0080 0.00000
567 -0.0427 0.00000
568 0.0047 0.00000
569 -0.0270 0.00000
570 -0.0408 0.00000
571 0.0138 0.00000
572 -0.0601 0.00000
573 -0.0384 0.00000
574 0.0005 0.00000
575 0.0622 0.00000
576 -0.0584 0.00000
577 -0.0692 0.00000
578 -0.0237 0.00000
579 0.0374 0.00000
580 0.1714 0.00000
581 0.0527 0.00000
582 -0.0460 0.00000
583 0.0845 0.00000
584 -0.1766 0.00000
585 -0.0617 0.00000
586 -0.0946 0.00000
587 0.0019 0.00000
588 -0.0650 0.00000
589 0.0725 0.00000
590 -0.0722 0.00000
591 -0.0329 0.00000
592 -0.0840 0.00000
593 -0.0702 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0488 0.00000
597 0.0492 0.00000
598 -0.0079 0.00000
599 0.0505 0.00000
600 -0.0425 0.00000
601 0.0101 0.00000
602 0.0311 0.00000
603 0.0322 0.00000
604 0.0081 0.00000
605 0.0415 0.00000
606 0.1496 0.00000
607 0.0554 0.00000
608 -0.0096 0.00000
609 0.0638 0.00000
610 0.0545 0.00000
611 0.0042 0.00000
612 0.0454 0.00000
613 0.0193 0.00000
614 0.0630 0.00000
615 0.0143 0.00000
616 -0.0535 0.00000
617 -0.0112 0.00000
618 0.0892 0.00000
619 0.0258 0.00000
620 0.0655 0.00000
621 0.0910 0.00000
622 0.0049 0.00000
623 0.0720 0.00000
624 0.0824 0.00000
625 -0.0035 0.00000
626 -0.0824 0.00000
627 0.0176 0.00000
628 0.0193 0.00000
629 0.0048 0.00000
630 0.0070 0.00000
631 0.0303 0.00000
632 0.0113 0.00000
633 0.0594 0.00000
634 0.0002 0.00000
635 0.0519 0.00000
636 -0.0414 0.00000
637 -0.1212 0.00000
638 -0.0180 0.00000
639 -0.0217 0.00000
640 0.0184 0.00000
641 0.0077 0.00000
642 0.0313 0.00000
643 0.0168 0.00000
644 0.0591 0.00000
645 0.0880 0.00000
646 -0.0296 0.00000
647 -0.0167 0.00000
648 0.0100 0.00000
649 -0.0288 0.00000
650 0.0244 0.00000
651 0.0041 0.00000
652 -0.0198 0.00000
653 0.0133 0.00000
654 0.0063 0.00000
655 -0.0125 0.00000
656 0.0789 0.00000
657 -0.0204 0.00000
658 -0.0407 0.00000
659 -0.0238 0.00000
660 -0.0331 0.00000
661 0.0332 0.00000
662 -0.0061 0.00000
663 0.0120 0.00000
664 -0.0306 0.00000
665 0.0260 0.00000
666 0.0380 0.00000
667 0.0246 0.00000
668 -0.0169 0.00000
669 -0.1402 0.00000
670 0.0375 0.00000
671 -0.0306 0.00000
672 0.0476 0.00000
673 0.0290 0.00000
674 0.0088 0.00000
675 0.0015 0.00000
676 -0.0204 0.00000
677 0.0662 0.00000
678 -0.0018 0.00000
679 -0.0139 0.00000
680 -0.0095 0.00000
681 -0.0125 0.00000
682 0.0449 0.00000
683 -0.0375 0.00000
684 0.1277 0.00000
685 0.0057 0.00000
686 -0.0060 0.00000
687 0.0106 0.00000
688 -0.0204 0.00000
689 -0.0054 0.00000
690 -0.0392 0.00000
691 -0.0290 0.00000
692 -0.0127 0.00000
693 -0.0242 0.00000
694 0.0155 0.00000
695 -0.0315 0.00000
696 0.0236 0.00000
697 -0.0124 0.00000
698 -0.0243 0.00000
699 0.0009 0.00000
700 0.0050 0.00000
701 -0.0155 0.00000
702 0.1415 0.00000
703 0.0614 0.00000
704 -0.0007 0.00000
705 0.0162 0.00000
706 -0.0152 0.00000
707 -0.0087 0.00000
708 0.0138 0.00000
709 0.0346 0.00000
710 -0.0709 0.00000
711 -0.0042 0.00000
712 0.0437 0.00000
713 0.0311 0.00000
714 0.0431 0.00000
715 -0.0113 0.00000
716 0.0008 0.00000
717 -0.0060 0.00000
718 -0.0177 0.00000
719 -0.0128 0.00000
720 0.0231 0.00000
721 -0.0144 0.00000
722 0.0017 0.00000
723 -0.0456 0.00000
724 -0.0010 0.00000
725 0.0166 0.00000
726 -0.0015 0.00000
727 -0.0685 0.00000
728 0.0414 0.00000
729 0.0395 0.00000
730 0.0066 0.00000
731 -0.0044 0.00000
732 -0.0242 0.00000
733 0.0106 0.00000
734 -0.0347 0.00000
735 0.0028 0.00000
736 -0.0047 0.00000
737 0.0069 0.00000
738 0.0888 0.00000
739 0.0327 0.00000
740 -0.0249 0.00000
741 -0.0278 0.00000
742 0.0046 0.00000
743 -0.0309 0.00000
744 0.0051 0.00000
745 0.0123 0.00000
746 -0.0104 0.00000
747 0.0076 0.00000
748 -0.0569 0.00000
749 -0.0436 0.00000
750 0.0115 0.00000
751 0.0175 0.00000
752 0.0408 0.00000
753 0.0473 0.00000
754 -0.0243 0.00000
755 0.0079 0.00000
756 -0.0425 0.00000
757 -0.0178 0.00000
758 -0.3037 0.00000
759 -0.1166 0.00000
760 0.0615 0.00000
761 -0.1801 0.00000
762 0.0268 0.00000
763 -0.0929 0.00000
764 -0.0450 0.00000
765 -0.0029 0.00000
766 0.0454 0.00000
767 -0.0297 0.00000
768 0.0420 0.00000
769 -0.0274 0.00000
770 -0.1553 0.00000
771 -0.0139 0.00000
772 -0.0116 0.00000
773 0.0172 0.00000
774 -0.0280 0.00000
775 0.0187 0.00000
776 -0.0155 0.00000
777 -0.0413 0.00000
778 -0.0263 0.00000
779 0.0419 0.00000
780 -0.0072 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0532 0.00000
5 -0.1029 0.00000
6 -0.0102 0.00000
7 -0.0229 0.00000
8 -0.0446 0.00000
9 -0.0414 0.00000
10 -0.0379 0.00000
11 -0.0025 0.00000
12 -0.0048 0.00000
13 -0.0994 0.00000
14 0.0669 0.00000
15 0.0864 0.00000
16 0.0421 0.00000
17 -0.1036 0.00000
18 -0.1049 0.00000
19 -0.0160 0.00000
20 0.0038 0.00000
21 -0.0748 0.00000
22 0.0245 0.00000
23 -0.0567 0.00000
24 0.0194 0.00000
25 0.0711 0.00000
26 0.0773 0.00000
27 0.0859 0.00000
28 0.0754 0.00000
29 -0.0496 0.00000
30 -0.0519 0.00000
31 0.0735 0.00000
32 0.0976 0.00000
33 -0.0247 0.00000
34 -0.0104 0.00000
35 -0.0309 0.00000
36 0.0391 0.00000
37 0.0333 0.00000
38 -0.1716 0.00000
39 0.0322 0.00000
40 0.0378 0.00000
41 -0.2181 0.00000
42 0.0035 0.00000
43 0.0128 0.00000
44 -0.0739 0.00000
45 -0.0457 0.00000
46 -0.0089 0.00000
47 0.0503 0.00000
48 0.0233 0.00000
49 -0.0324 0.00000
50 -0.0066 0.00000
51 0.0302 0.00000
52 -0.0235 0.00000
53 -0.0095 0.00000
54 -0.0072 0.00000
55 -0.0211 0.00000
56 0.0254 0.00000
57 -0.0180 0.00000
58 -0.1278 0.00000
59 0.0174 0.00000
60 0.0632 0.00000
61 0.0871 0.00000
62 0.0637 0.00000
63 0.0351 0.00000
64 -0.0080 0.00000
65 -0.1880 0.00000
66 0.0006 0.00000
67 -0.0020 0.00000
68 -0.0417 0.00000
69 -0.0307 0.00000
70 -0.0274 0.00000
71 -0.0916 0.00000
72 -0.0932 0.00000
73 -0.0445 0.00000
74 -0.0675 0.00000
75 -0.0575 0.00000
76 0.0315 0.00000
77 -0.0194 0.00000
78 -0.0630 0.00000
79 -0.2518 0.00000
80 -0.0268 0.00000
81 0.0537 0.00000
82 0.0796 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0412 0.00000
90 0.0608 0.00000
91 0.0500 0.00000
92 0.0656 0.00000
93 0.0119 0.00000
94 -0.0748 0.00000
95 0.0276 0.00000
96 0.0511 0.00000
97 -0.0635 0.00000
98 0.4297 0.00000
99 0.1090 0.00000
100 0.4927 0.00000
101 0.2572 0.00000
102 0.0482 0.00000
103 0.1056 0.00000
104 0.0352 0.00000
105 0.0010 0.00000
106 0.0114 0.00000
107 -0.1110 0.00000
108 0.0798 0.00000
109 0.0424 0.00000
110 0.0254 0.00000
111 0.0275 0.00000
112 0.0461 0.00000
113 0.0150 0.00000
114 0.0521 0.00000
115 -0.6518 0.00000
116 -0.0750 0.00000
117 -0.3738 0.00000
118 0.0203 0.00000
119 -0.1190 0.00000
120 0.0007 0.00000
121 0.0614 0.00000
122 0.0406 0.00000
123 0.0509 0.00000
124 0.1231 0.00000
125 0.0914 0.00000
126 0.5292 0.00000
127 -0.0888 0.00000
128 0.1451 0.00000
129 0.0762 0.00000
130 0.1152 0.00000
131 0.0261 0.00000
132 -0.0297 0.00000
133 -0.0128 0.00000
134 0.1857 0.00000
135 -0.0324 0.00000
136 -0.0732 0.00000
137 -0.0625 0.00000
138 -0.5025 0.00000
139 0.0534 0.00000
140 -0.0017 0.00000
141 0.0153 0.00000
142 -0.1139 0.00000
143 0.0138 0.00000
144 -0.0073 0.00000
145 -0.0417 0.00000
146 -0.0909 0.00000
147 -0.1215 0.00000
148 0.0319 0.00000
149 -0.1431 0.00000
150 0.0337 0.00000
151 0.0059 0.00000
152 -0.0007 0.00000
153 -0.0087 0.00000
154 -0.0538 0.00000
155 0.0117 0.00000
156 0.0330 0.00000
157 -0.0353 0.00000
158 0.0547 0.00000
159 0.0613 0.00000
160 0.0312 0.00000
161 0.0134 0.00000
162 -0.0011 0.00000
163 -0.0569 0.00000
164 0.0345 0.00000
165 -0.0171 0.00000
166 -0.0091 0.00000
167 0.1009 0.00000
168 -0.1228 0.00000
169 -0.0015 0.00000
170 0.0018 0.00000
171 -0.0427 0.00000
172 0.0338 0.00000
173 -0.0139 0.00000
174 -0.1425 0.00000
175 0.0373 0.00000
176 0.0079 0.00000
177 -0.0204 0.00000
178 -0.0493 0.00000
179 0.0053 0.00000
180 -0.0410 0.00000
181 -0.0412 0.00000
182 -0.0200 0.00000
183 -0.0149 0.00000
184 0.0075 0.00000
185 0.0182 0.00000
186 0.0116 0.00000
187 0.0208 0.00000
188 0.0312 0.00000
189 0.0107 0.00000
190 -0.0066 0.00000
191 -0.0114 0.00000
192 -0.0215 0.00000
193 0.0309 0.00000
194 -0.1223 0.00000
195 -0.0935 0.00000
196 -0.0448 0.00000
197 0.0272 0.00000
198 0.0698 0.00000
199 -0.0051 0.00000
200 -0.0013 0.00000
201 0.0307 0.00000
202 -0.0049 0.00000
203 0.0148 0.00000
204 0.0424 0.00000
205 -0.0258 0.00000
206 -0.0801 0.00000
207 -0.0228 0.00000
208 -0.0209 0.00000
209 -0.0358 0.00000
210 0.0637 0.00000
211 0.0244 0.00000
212 -0.0471 0.00000
213 -0.0319 0.00000
214 -0.0313 0.00000
215 0.0128 0.00000
216 -0.0225 0.00000
217 -0.0192 0.00000
218 0.0188 0.00000
219 -0.0238 0.00000
220 -0.0111 0.00000
221 0.1757 0.00000
222 0.0185 0.00000
223 -0.0438 0.00000
224 0.0080 0.00000
225 -0.1173 0.00000
226 -0.1899 0.00000
227 -0.0359 0.00000
228 -0.0288 0.00000
229 -0.0914 0.00000
230 0.0079 0.00000
231 0.0668 0.00000
232 -0.0791 0.00000
233 -0.1057 0.00000
234 0.0221 0.00000
235 0.0603 0.00000
236 0.0017 0.00000
237 0.0447 0.00000
238 0.0685 0.00000
239 -0.0184 0.00000
240 0.1196 0.00000
241 0.0389 0.00000
242 0.1124 0.00000
243 0.0563 0.00000
244 0.0437 0.00000
245 -0.0747 0.00000
246 0.0777 0.00000
247 0.0123 0.00000
248 0.1450 0.00000
249 0.0590 0.00000
250 0.0469 0.00000
251 -0.0038 0.00000
252 0.0070 0.00000
253 0.0204 0.00000
254 0.0017 0.00000
255 0.0576 0.00000
256 0.0248 0.00000
257 0.0531 0.00000
258 0.0282 0.00000
259 0.0393 0.00000
260 0.0160 0.00000
261 0.0659 0.00000
262 -0.0411 0.00000
263 0.0297 0.00000
264 -0.0149 0.00000
265 0.0387 0.00000
266 0.0257 0.00000
267 0.0553 0.00000
268 -0.0319 0.00000
269 -0.0108 0.00000
270 -0.0568 0.00000
271 0.0542 0.00000
272 0.0735 0.00000
273 0.0272 0.00000
274 0.1366 0.00000
275 -0.0242 0.00000
276 0.0483 0.00000
277 -0.0386 0.00000
278 -0.0408 0.00000
279 0.0326 0.00000
280 0.0217 0.00000
281 0.0587 0.00000
282 -0.0468 0.00000
283 0.1001 0.00000
284 0.0170 0.00000
285 -0.0005 0.00000
286 0.0150 0.00000
287 0.1142 0.00000
288 -0.0617 0.00000
289 -0.0526 0.00000
290 0.1435 0.00000
291 0.0590 0.00000
292 0.0008 0.00000
293 0.1322 0.00000
294 0.0002 0.00000
295 0.0757 0.00000
296 0.0071 0.00000
297 0.0588 0.00000
298 -0.0537 0.00000
299 0.0112 0.00000
300 0.1109 0.00000
301 -0.0414 0.00000
302 0.1360 0.00000
303 0.0833 0.00000
304 -0.0437 0.00000
305 -0.1235 0.00000
306 0.0020 0.00000
307 0.1822 0.00000
308 0.0825 0.00000
309 0.1534 0.00000
310 0.1465 0.00000
311 0.0060 0.00000
312 -0.0006 0.00000
313 -0.0064 0.00000
314 0.1422 0.00000
315 0.0810 0.00000
316 0.1085 0.00000
317 -0.0260 0.00000
318 0.0253 0.00000
319 0.1038 0.00000
320 -0.0860 0.00000
321 0.0150 0.00000
322 0.0188 0.00000
323 0.0696 0.00000
324 0.0287 0.00000
325 0.0674 0.00000
326 -0.0297 0.00000
327 0.0283 0.00000
328 0.0138 0.00000
329 0.0045 0.00000
330 0.0549 0.00000
331 -0.1566 0.00000
332 -0.1616 0.00000
333 -0.1371 0.00000
334 -0.0880 0.00000
335 -0.1070 0.00000
336 0.0587 0.00000
337 0.0197 0.00000
338 0.0693 0.00000
339 -0.0522 0.00000
340 -0.0428 0.00000
341 -0.0376 0.00000
342 0.0415 0.00000
343 -0.0395 0.00000
344 -0.0441 0.00000
345 -0.0125 0.00000
346 -0.0073 0.00000
347 -0.0058 0.00000
348 -0.0455 0.00000
349 -0.0264 0.00000
350 -0.0971 0.00000
351 0.0115 0.00000
352 -0.0154 0.00000
353 -0.0924 0.00000
354 0.0221 0.00000
355 0.0309 0.00000
356 -0.0496 0.00000
357 -0.0100 0.00000
358 0.0720 0.00000
359 0.0204 0.00000
360 -0.0121 0.00000
361 0.1397 0.00000
362 -0.0449 0.00000
363 -0.0090 0.00000
364 -0.0333 0.00000
365 -0.0776 0.00000
366 0.0088 0.00000
367 -0.0003 0.00000
368 -0.0116 0.00000
369 0.0624 0.00000
370 -0.0171 0.00000
371 0.1327 0.00000
372 0.0224 0.00000
373 -0.0422 0.00000
374 -0.0013 0.00000
375 -0.0031 0.00000
376 0.0264 0.00000
377 -0.0262 0.00000
378 -0.0211 0.00000
379 -0.0278 0.00000
380 -0.0181 0.00000
381 -0.0279 0.00000
382 -0.0495 0.00000
383 -0.0357 0.00000
384 0.0372 0.00000
385 -0.0529 0.00000
386 -0.0199 0.00000
387 -0.0268 0.00000
388 -0.0214 0.00000
389 -0.0004 0.00000
390 0.0294 0.00000
391 -0.0057 0.00000
392 0.0018 0.00000
393 0.0865 0.00000
394 0.0291 0.00000
395 0.0007 0.00000
396 -0.0002 0.00000
397 0.0140 0.00000
398 -0.0443 0.00000
399 -0.0481 0.00000
400 -0.0189 0.00000
401 -0.0548 0.00000
402 -0.1082 0.00000
403 0.0005 0.00000
404 -0.0411 0.00000
405 0.0147 0.00000
406 -0.0149 0.00000
407 0.0084 0.00000
408 -0.0152 0.00000
409 -0.0088 0.00000
410 -0.0184 0.00000
411 -0.0375 0.00000
412 -0.0238 0.00000
413 -0.0323 0.00000
414 -0.0534 0.00000
415 -0.0433 0.00000
416 -0.0980 0.00000
417 -0.0443 0.00000
418 -0.0355 0.00000
419 -0.0189 0.00000
420 -0.0769 0.00000
421 -0.0162 0.00000
422 -0.0378 0.00000
423 -0.0442 0.00000
424 -0.0296 0.00000
425 -0.0236 0.00000
426 -0.0063 0.00000
427 -0.0168 0.00000
428 0.0009 0.00000
429 -0.0328 0.00000
430 0.0038 0.00000
431 -0.0100 0.00000
432 -0.0176 0.00000
433 0.0005 0.00000
434 -0.0419 0.00000
435 0.0097 0.00000
436 -0.0196 0.00000
437 0.0058 0.00000
438 -0.0362 0.00000
439 -0.1073 0.00000
440 -0.0151 0.00000
441 0.0105 0.00000
442 -0.0114 0.00000
443 -0.0075 0.00000
444 -0.0085 0.00000
445 -0.0555 0.00000
446 -0.0291 0.00000
447 -0.1538 0.00000
448 -0.0054 0.00000
449 -0.0521 0.00000
450 -0.0092 0.00000
451 -0.0066 0.00000
452 0.0015 0.00000
453 -0.0123 0.00000
454 -0.0076 0.00000
455 -0.0136 0.00000
456 0.0978 0.00000
457 -0.0078 0.00000
458 -0.0066 0.00000
459 -0.0258 0.00000
460 0.0053 0.00000
461 0.0024 0.00000
462 0.0181 0.00000
463 -0.0252 0.00000
464 -0.0701 0.00000
465 0.0223 0.00000
466 -0.0720 0.00000
467 0.0104 0.00000
468 0.0131 0.00000
469 -0.0005 0.00000
470 0.0339 0.00000
471 -0.0138 0.00000
472 0.0146 0.00000
473 0.0298 0.00000
474 -0.0010 0.00000
475 0.0418 0.00000
476 0.1336 0.00000
477 -0.0395 0.00000
478 0.0079 0.00000
479 0.0292 0.00000
480 -0.0243 0.00000
481 0.0659 0.00000
482 0.0248 0.00000
483 0.0396 0.00000
484 0.0089 0.00000
485 -0.0414 0.00000
486 0.0314 0.00000
487 0.0046 0.00000
488 -0.0407 0.00000
489 -0.0299 0.00000
490 0.0067 0.00000
491 0.0241 0.00000
492 -0.0353 0.00000
493 0.0061 0.00000
494 -0.0233 0.00000
495 -0.0315 0.00000
496 0.0450 0.00000
497 -0.0078 0.00000
498 -0.0521 0.00000
499 0.0037 0.00000
500 -0.0422 0.00000
501 -0.0378 0.00000
502 -0.0219 0.00000
503 0.0012 0.00000
504 -0.0296 0.00000
505 -0.0248 0.00000
506 -0.0026 0.00000
507 -0.0053 0.00000
508 0.0120 0.00000
509 0.0151 0.00000
510 0.0589 0.00000
511 -0.0078 0.00000
512 -0.0190 0.00000
513 0.0089 0.00000
514 -0.0152 0.00000
515 0.0201 0.00000
516 0.0164 0.00000
517 -0.0035 0.00000
518 -0.0088 0.00000
519 -0.0282 0.00000
520 -0.0252 0.00000
521 -0.0162 0.00000
522 -0.0085 0.00000
523 -0.0863 0.00000
524 0.0175 0.00000
525 -0.0401 0.00000
526 -0.0626 0.00000
527 0.0016 0.00000
528 0.0184 0.00000
529 -0.0291 0.00000
530 -0.0512 0.00000
531 -0.0339 0.00000
532 0.0188 0.00000
533 0.0006 0.00000
534 -0.1542 0.00000
535 -0.0559 0.00000
536 -0.0664 0.00000
537 0.0093 0.00000
538 -0.0263 0.00000
539 -0.0435 0.00000
540 -0.0083 0.00000
541 0.0048 0.00000
542 0.0299 0.00000
543 0.0156 0.00000
544 -0.0570 0.00000
545 -0.0108 0.00000
546 0.0066 0.00000
547 0.0116 0.00000
548 -0.0970 0.00000
549 -0.0372 0.00000
550 -0.0007 0.00000
551 -0.0089 0.00000
552 -0.0032 0.00000
553 -0.0156 0.00000
554 0.0497 0.00000
555 -0.0364 0.00000
556 0.0114 0.00000
557 0.0136 0.00000
558 -0.0027 0.00000
559 -0.0218 0.00000
560 -0.0012 0.00000
561 -0.0110 0.00000
562 -0.0308 0.00000
563 0.0256 0.00000
564 -0.0061 0.00000
565 0.0024 0.00000
566 -0.0906 0.00000
567 -0.0221 0.00000
568 -0.0121 0.00000
569 -0.0547 0.00000
570 -0.0380 0.00000
571 0.0043 0.00000
572 0.0061 0.00000
573 -0.0667 0.00000
574 -0.0079 0.00000
575 -0.1053 0.00000
576 0.0318 0.00000
577 0.0227 0.00000
578 0.0242 0.00000
579 0.0134 0.00000
580 -0.0699 0.00000
581 -0.0283 0.00000
582 0.3523 0.00000
583 -0.0219 0.00000
584 -0.2127 0.00000
585 -0.0619 0.00000
586 -0.0580 0.00000
587 0.0187 0.00000
588 -0.1047 0.00000
589 0.0717 0.00000
590 -0.0645 0.00000
591 -0.0404 0.00000
592 -0.0811 0.00000
593 -0.0715 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0489 0.00000
597 0.0492 0.00000
598 0.0039 0.00000
599 0.0311 0.00000
600 0.0167 0.00000
601 -0.0060 0.00000
602 0.0379 0.00000
603 -0.0345 0.00000
604 0.0248 0.00000
605 0.0267 0.00000
606 0.1521 0.00000
607 0.0065 0.00000
608 0.0779 0.00000
609 -0.0071 0.00000
610 0.0528 0.00000
611 -0.0171 0.00000
612 0.0251 0.00000
613 0.0397 0.00000
614 0.1063 0.00000
615 0.0445 0.00000
616 0.0775 0.00000
617 0.0449 0.00000
618 -0.0184 0.00000
619 0.0470 0.00000
620 0.0440 0.00000
621 0.0606 0.00000
622 -0.1048 0.00000
623 0.0193 0.00000
624 0.0076 0.00000
625 0.0325 0.00000
626 -0.0109 0.00000
627 -0.0332 0.00000
628 0.0876 0.00000
629 0.0149 0.00000
630 0.0160 0.00000
631 0.0130 0.00000
632 0.0906 0.00000
633 0.0328 0.00000
634 0.0262 0.00000
635 -0.0325 0.00000
636 0.0270 0.00000
637 0.0169 0.00000
638 0.0560 0.00000
639 0.1266 0.00000
640 -0.0775 0.00000
641 -0.0894 0.00000
642 0.0077 0.00000
643 0.0309 0.00000
644 0.0295 0.00000
645 0.0419 0.00000
646 -0.0319 0.00000
647 -0.0445 0.00000
648 0.0340 0.00000
649 -0.0079 0.00000
650 0.0294 0.00000
651 -0.0218 0.00000
652 -0.0459 0.00000
653 -0.0049 0.00000
654 -0.0831 0.00000
655 0.0398 0.00000
656 -0.0462 0.00000
657 -0.0641 0.00000
658 0.0848 0.00000
659 0.0224 0.00000
660 -0.0355 0.00000
661 -0.0043 0.00000
662 -0.0544 0.00000
663 -0.0188 0.00000
664 0.0319 0.00000
665 -0.0082 0.00000
666 -0.0024 0.00000
667 -0.0011 0.00000
668 0.0018 0.00000
669 -0.0270 0.00000
670 0.0282 0.00000
671 0.0008 0.00000
672 0.0110 0.00000
673 -0.0203 0.00000
674 0.0069 0.00000
675 0.0659 0.00000
676 -0.0106 0.00000
677 0.0502 0.00000
678 -0.0269 0.00000
679 0.0113 0.00000
680 -0.0181 0.00000
681 0.0303 0.00000
682 -0.0186 0.00000
683 0.0067 0.00000
684 0.0246 0.00000
685 -0.0054 0.00000
686 0.0125 0.00000
687 0.0006 0.00000
688 0.0020 0.00000
689 0.1680 0.00000
690 -0.0120 0.00000
691 -0.0060 0.00000
692 -0.0939 0.00000
693 -0.0001 0.00000
694 -0.0198 0.00000
695 0.0144 0.00000
696 0.0286 0.00000
697 0.0286 0.00000
698 0.0145 0.00000
699 -0.0015 0.00000
700 -0.0146 0.00000
701 0.0311 0.00000
702 -0.0494 0.00000
703 0.0122 0.00000
704 0.0532 0.00000
705 0.0188 0.00000
706 0.0124 0.00000
707 0.0497 0.00000
708 -0.0169 0.00000
709 0.0075 0.00000
710 0.0272 0.00000
711 0.0058 0.00000
712 0.0078 0.00000
713 -0.0122 0.00000
714 0.0318 0.00000
715 -0.0080 0.00000
716 0.0060 0.00000
717 -0.0515 0.00000
718 0.0418 0.00000
719 0.0201 0.00000
720 -0.0179 0.00000
721 -0.0142 0.00000
722 -0.0141 0.00000
723 0.0025 0.00000
724 -0.0725 0.00000
725 -0.0027 0.00000
726 -0.0169 0.00000
727 0.0425 0.00000
728 0.0256 0.00000
729 -0.0085 0.00000
730 -0.0300 0.00000
731 -0.0178 0.00000
732 -0.0540 0.00000
733 0.0132 0.00000
734 -0.0083 0.00000
735 -0.0360 0.00000
736 -0.0703 0.00000
737 -0.0105 0.00000
738 0.0780 0.00000
739 -0.0928 0.00000
740 -0.0076 0.00000
741 -0.0061 0.00000
742 -0.0413 0.00000
743 0.0420 0.00000
744 -0.0066 0.00000
745 -0.0369 0.00000
746 0.0189 0.00000
747 -0.0167 0.00000
748 -0.0022 0.00000
749 0.0219 0.00000
750 -0.0984 0.00000
751 -0.0238 0.00000
752 0.0006 0.00000
753 0.0207 0.00000
754 0.0122 0.00000
755 -0.0123 0.00000
756 -0.1123 0.00000
757 -0.0094 0.00000
758 0.0274 0.00000
759 0.0179 0.00000
760 -0.0211 0.00000
761 -0.1217 0.00000
762 0.0016 0.00000
763 -0.0544 0.00000
764 -0.0957 0.00000
765 -0.0942 0.00000
766 -0.0035 0.00000
767 -0.0096 0.00000
768 0.0110 0.00000
769 0.0978 0.00000
770 -0.0251 0.00000
771 -0.0238 0.00000
772 0.0105 0.00000
773 -0.0419 0.00000
774 -0.1033 0.00000
775 0.0095 0.00000
776 0.0042 0.00000
777 0.0465 0.00000
778 -0.0005 0.00000
779 -0.0022 0.00000
780 0.0278 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0517 0.00000
5 -0.1045 0.00000
6 -0.0102 0.00000
7 -0.0227 0.00000
8 -0.0446 0.00000
9 -0.0413 0.00000
10 -0.0385 0.00000
11 -0.0022 0.00000
12 -0.0046 0.00000
13 -0.0990 0.00000
14 0.0665 0.00000
15 0.0856 0.00000
16 0.0256 0.00000
17 -0.0367 0.00000
18 -0.1563 0.00000
19 -0.0199 0.00000
20 0.0099 0.00000
21 -0.0746 0.00000
22 0.0197 0.00000
23 -0.0413 0.00000
24 0.0512 0.00000
25 0.0244 0.00000
26 0.0850 0.00000
27 0.0813 0.00000
28 0.0172 0.00000
29 -0.0087 0.00000
30 -0.0380 0.00000
31 0.0459 0.00000
32 0.1381 0.00000
33 -0.0411 0.00000
34 0.0089 0.00000
35 -0.0317 0.00000
36 0.0248 0.00000
37 0.0111 0.00000
38 -0.1429 0.00000
39 0.0591 0.00000
40 0.0312 0.00000
41 -0.2507 0.00000
42 -0.0145 0.00000
43 0.0118 0.00000
44 -0.1765 0.00000
45 0.0963 0.00000
46 0.0435 0.00000
47 -0.0036 0.00000
48 -0.0099 0.00000
49 -0.0109 0.00000
50 -0.0006 0.00000
51 0.0275 0.00000
52 -0.0346 0.00000
53 -0.0140 0.00000
54 -0.0137 0.00000
55 -0.0076 0.00000
56 0.0293 0.00000
57 -0.0135 0.00000
58 -0.1277 0.00000
59 0.0602 0.00000
60 0.0551 0.00000
61 0.0353 0.00000
62 -0.0280 0.00000
63 0.0672 0.00000
64 0.0432 0.00000
65 -0.1953 0.00000
66 0.0026 0.00000
67 -0.0353 0.00000
68 0.0273 0.00000
69 -0.0459 0.00000
70 -0.0919 0.00000
71 -0.0216 0.00000
72 -0.0930 0.00000
73 -0.0338 0.00000
74 -0.0678 0.00000
75 -0.0543 0.00000
76 0.0279 0.00000
77 -0.0139 0.00000
78 -0.2907 0.00000
79 -0.0359 0.00000
80 -0.0266 0.00000
81 0.0536 0.00000
82 0.0788 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0402 0.00000
90 0.0621 0.00000
91 0.0528 0.00000
92 0.0628 0.00000
93 0.0013 0.00000
94 -0.0725 0.00000
95 0.0291 0.00000
96 0.0761 0.00000
97 -0.0672 0.00000
98 0.2957 0.00000
99 0.1120 0.00000
100 0.7878 0.00000
101 0.0419 0.00000
102 0.1689 0.00000
103 -0.0227 0.00000
104 0.0588 0.00000
105 0.0155 0.00000
106 0.0140 0.00000
107 -0.0555 0.00000
108 0.0627 0.00000
109 0.0484 0.00000
110 -0.0126 0.00000
111 0.0286 0.00000
112 0.0316 0.00000
113 0.0317 0.00000
114 -0.1850 0.00000
115 -0.3810 0.00000
116 -0.0632 0.00000
117 -0.4084 0.00000
118 -0.0028 0.00000
119 -0.0696 0.00000
120 -0.0382 0.00000
121 0.0528 0.00000
122 0.0512 0.00000
123 0.0520 0.00000
124 0.1213 0.00000
125 0.0854 0.00000
126 0.5885 0.00000
127 -0.0589 0.00000
128 -0.0493 0.00000
129 0.0809 0.00000
130 0.2123 0.00000
131 0.0572 0.00000
132 -0.0599 0.00000
133 -0.0149 0.00000
134 0.1853 0.00000
135 -0.0359 0.00000
136 -0.0509 0.00000
137 -0.0558 0.00000
138 -0.5004 0.00000
139 0.0355 0.00000
140 -0.0062 0.00000
141 0.0131 0.00000
142 -0.1155 0.00000
143 0.0170 0.00000
144 -0.0049 0.00000
145 -0.0449 0.00000
146 -0.0878 0.00000
147 -0.1225 0.00000
148 0.0284 0.00000
149 -0.1361 0.00000
150 0.0312 0.00000
151 -0.0058 0.00000
152 -0.0042 0.00000
153 0.0216 0.00000
154 -0.0490 0.00000
155 -0.0075 0.00000
156 -0.0233 0.00000
157 0.1460 0.00000
158 -0.0594 0.00000
159 0.0536 0.00000
160 0.0019 0.00000
161 0.0113 0.00000
162 0.0069 0.00000
163 -0.0490 0.00000
164 -0.0010 0.00000
165 0.0522 0.00000
166 0.0365 0.00000
167 0.0009 0.00000
168 0.0295 0.00000
169 -0.0055 0.00000
170 -0.0193 0.00000
171 -0.1098 0.00000
172 0.0114 0.00000
173 -0.1603 0.00000
174 0.0293 0.00000
175 0.0124 0.00000
176 -0.0833 0.00000
177 0.0232 0.00000
178 -0.0410 0.00000
179 -0.0067 0.00000
180 -0.0056 0.00000
181 0.0079 0.00000
182 -0.0337 0.00000
183 -0.0095 0.00000
184 -0.0173 0.00000
185 0.0263 0.00000
186 -0.0034 0.00000
187 0.0013 0.00000
188 0.0465 0.00000
189 0.0038 0.00000
190 -0.0114 0.00000
191 -0.0113 0.00000
192 -0.0227 0.00000
193 -0.1234 0.00000
194 0.0076 0.00000
195 -0.0238 0.00000
196 -0.0109 0.00000
197 -0.0005 0.00000
198 0.0515 0.00000
199 -0.0411 0.00000
200 0.0078 0.00000
201 0.0115 0.00000
202 -0.0153 0.00000
203 0.0420 0.00000
204 0.0123 0.00000
205 -0.0049 0.00000
206 -0.0597 0.00000
207 -0.0198 0.00000
208 -0.0166 0.00000
209 -0.0297 0.00000
210 0.0518 0.00000
211 0.0230 0.00000
212 -0.0215 0.00000
213 -0.0523 0.00000
214 -0.0384 0.00000
215 0.0141 0.00000
216 -0.0201 0.00000
217 -0.0182 0.00000
218 -0.0233 0.00000
219 0.1270 0.00000
220 0.0429 0.00000
221 0.0170 0.00000
222 -0.0010 0.00000
223 -0.0631 0.00000
224 -0.0272 0.00000
225 -0.0126 0.00000
226 -0.1967 0.00000
227 -0.0543 0.00000
228 -0.0242 0.00000
229 -0.0956 0.00000
230 -0.0001 0.00000
231 0.0666 0.00000
232 -0.0881 0.00000
233 -0.0969 0.00000
234 0.0137 0.00000
235 0.0599 0.00000
236 -0.0005 0.00000
237 0.0457 0.00000
238 0.0640 0.00000
239 0.1045 0.00000
240 -0.0082 0.00000
241 0.0681 0.00000
242 0.0259 0.00000
243 0.0939 0.00000
244 -0.0697 0.00000
245 0.0428 0.00000
246 0.0650 0.00000
247 0.1032 0.00000
248 0.1643 0.00000
249 0.0416 0.00000
250 0.0394 0.00000
251 -0.0027 0.00000
252 -0.0055 0.00000
253 -0.0047 0.00000
254 -0.0209 0.00000
255 0.0461 0.00000
256 0.0396 0.00000
257 0.1473 0.00000
258 -0.0455 0.00000
259 0.0031 0.00000
260 0.0845 0.00000
261 -0.0181 0.00000
262 -0.0115 0.00000
263 -0.0149 0.00000
264 0.0428 0.00000
265 -0.0263 0.00000
266 0.0458 0.00000
267 0.0154 0.00000
268 -0.0703 0.00000
269 0.0410 0.00000
270 0.0132 0.00000
271 0.0514 0.00000
272 0.1809 0.00000
273 0.0060 0.00000
274 -0.0025 0.00000
275 0.0510 0.00000
276 -0.0715 0.00000
277 -0.0069 0.00000
278 -0.0054 0.00000
279 -0.0222 0.00000
280 0.1364 0.00000
281 0.0549 0.00000
282 -0.0065 0.00000
283 0.0360 0.00000
284 0.0086 0.00000
285 0.0856 0.00000
286 -0.0444 0.00000
287 -0.0192 0.00000
288 -0.0082 0.00000
289 0.0501 0.00000
290 0.0846 0.00000
291 0.0834 0.00000
292 0.0213 0.00000
293 -0.0315 0.00000
294 0.0311 0.00000
295 0.1065 0.00000
296 0.1047 0.00000
297 0.0736 0.00000
298 0.0290 0.00000
299 0.1209 0.00000
300 -0.0255 0.00000
301 -0.0415 0.00000
302 0.0788 0.00000
303 0.0257 0.00000
304 0.0077 0.00000
305 0.1514 0.00000
306 0.0700 0.00000
307 -0.0074 0.00000
308 0.0421 0.00000
309 0.0005 0.00000
310 -0.0075 0.00000
311 0.2000 0.00000
312 -0.0078 0.00000
313 -0.0114 0.00000
314 0.0807 0.00000
315 0.0781 0.00000
316 0.0253 0.00000
317 0.0270 0.00000
318 0.0002 0.00000
319 0.1100 0.00000
320 0.1232 0.00000
321 -0.0337 0.00000
322 -0.1184 0.00000
323 0.0524 0.00000
324 0.1540 0.00000
325 -0.0163 0.00000
326 -0.1508 0.00000
327 -0.1273 0.00000
328 -0.0174 0.00000
329 0.1833 0.00000
330 -0.0108 0.00000
331 -0.0207 0.00000
332 0.0100 0.00000
333 -0.0125 0.00000
334 0.0180 0.00000
335 -0.1830 0.00000
336 -0.0351 0.00000
337 0.1797 0.00000
338 -0.0197 0.00000
339 -0.0630 0.00000
340 -0.0299 0.00000
341 -0.2122 0.00000
342 -0.0143 0.00000
343 0.0099 0.00000
344 -0.0268 0.00000
345 0.0515 0.00000
346 -0.1192 0.00000
347 -0.0453 0.00000
348 0.0024 0.00000
349 -0.0085 0.00000
350 -0.0965 0.00000
351 -0.0028 0.00000
352 -0.0189 0.00000
353 -0.0097 0.00000
354 -0.0268 0.00000
355 0.0345 0.00000
356 0.0743 0.00000
357 -0.0022 0.00000
358 -0.0053 0.00000
359 0.0635 0.00000
360 -0.0049 0.00000
361 0.0063 0.00000
362 -0.1060 0.00000
363 -0.0398 0.00000
364 0.0555 0.00000
365 -0.0476 0.00000
366 -0.1212 0.00000
367 0.0168 0.00000
368 -0.0230 0.00000
369 -0.0108 0.00000
370 -0.0177 0.00000
371 0.0186 0.00000
372 0.0962 0.00000
373 0.1467 0.00000
374 -0.0337 0.00000
375 -0.0008 0.00000
376 -0.0281 0.00000
377 -0.0146 0.00000
378 -0.0401 0.00000
379 0.0007 0.00000
380 -0.0070 0.00000
381 0.0366 0.00000
382 -0.0511 0.00000
383 -0.0497 0.00000
384 0.0349 0.00000
385 -0.0012 0.00000
386 0.0382 0.00000
387 0.0360 0.00000
388 -0.0038 0.00000
389 -0.0033 0.00000
390 -0.0371 0.00000
391 -0.0307 0.00000
392 -0.0050 0.00000
393 0.0029 0.00000
394 0.0386 0.00000
395 0.0053 0.00000
396 -0.0101 0.00000
397 -0.0085 0.00000
398 -0.0452 0.00000
399 -0.0088 0.00000
400 -0.0319 0.00000
401 0.0115 0.00000
402 -0.0267 0.00000
403 -0.0546 0.00000
404 -0.0613 0.00000
405 0.0206 0.00000
406 0.0039 0.00000
407 0.0221 0.00000
408 -0.0585 0.00000
409 -0.0425 0.00000
410 0.0281 0.00000
411 -0.1238 0.00000
412 -0.0735 0.00000
413 -0.0303 0.00000
414 -0.0566 0.00000
415 -0.0445 0.00000
416 -0.0789 0.00000
417 -0.0701 0.00000
418 0.0208 0.00000
419 -0.0384 0.00000
420 -0.0347 0.00000
421 -0.0280 0.00000
422 -0.0264 0.00000
423 -0.0362 0.00000
424 -0.0118 0.00000
425 -0.0294 0.00000
426 0.0115 0.00000
427 -0.0174 0.00000
428 -0.0111 0.00000
429 0.0055 0.00000
430 -0.0410 0.00000
431 -0.0075 0.00000
432 -0.0343 0.00000
433 -0.0123 0.00000
434 -0.0234 0.00000
435 -0.0583 0.00000
436 -0.0038 0.00000
437 -0.0031 0.00000
438 -0.0232 0.00000
439 0.0158 0.00000
440 0.0125 0.00000
441 -0.0543 0.00000
442 -0.0205 0.00000
443 -0.0267 0.00000
444 -0.0251 0.00000
445 -0.0589 0.00000
446 0.0122 0.00000
447 -0.0241 0.00000
448 -0.0444 0.00000
449 0.0220 0.00000
450 -0.1478 0.00000
451 -0.0054 0.00000
452 -0.0005 0.00000
453 -0.0029 0.00000
454 -0.0261 0.00000
455 0.0369 0.00000
456 0.0103 0.00000
457 -0.0229 0.00000
458 -0.0201 0.00000
459 -0.0249 0.00000
460 0.0122 0.00000
461 -0.0123 0.00000
462 -0.0703 0.00000
463 -0.0189 0.00000
464 -0.0226 0.00000
465 -0.0287 0.00000
466 0.0145 0.00000
467 -0.0232 0.00000
468 0.0022 0.00000
469 0.0065 0.00000
470 -0.0096 0.00000
471 0.0619 0.00000
472 0.1507 0.00000
473 0.0530 0.00000
474 -0.0044 0.00000
475 0.0035 0.00000
476 0.0055 0.00000
477 -0.0512 0.00000
478 -0.0003 0.00000
479 -0.0275 0.00000
480 -0.0027 0.00000
481 0.0311 0.00000
482 0.0333 0.00000
483 0.0316 0.00000
484 0.0233 0.00000
485 0.0123 0.00000
486 -0.0813 0.00000
487 -0.0145 0.00000
488 0.0412 0.00000
489 -0.0181 0.00000
490 -0.0133 0.00000
491 0.0267 0.00000
492 0.0403 0.00000
493 0.0245 0.00000
494 0.0239 0.00000
495 -0.0155 0.00000
496 0.0114 0.00000
497 -0.0381 0.00000
498 -0.0250 0.00000
499 -0.0327 0.00000
500 -0.0091 0.00000
501 -0.0140 0.00000
502 -0.0447 0.00000
503 0.0267 0.00000
504 -0.0059 0.00000
505 -0.0005 0.00000
506 0.0091 0.00000
507 -0.0120 0.00000
508 0.0282 0.00000
509 0.0029 0.00000
510 -0.0198 0.00000
511 -0.0296 0.00000
512 0.0088 0.00000
513 -0.0084 0.00000
514 0.0021 0.00000
515 -0.0157 0.00000
516 0.0169 0.00000
517 -0.0277 0.00000
518 -0.0061 0.00000
519 -0.0512 0.00000
520 0.0032 0.00000
521 -0.0111 0.00000
522 -0.0328 0.00000
523 -0.0129 0.00000
524 0.0047 0.00000
525 -0.0160 0.00000
526 -0.0187 0.00000
527 -0.0188 0.00000
528 -0.0242 0.00000
529 -0.0149 0.00000
530 -0.0130 0.00000
531 -0.0293 0.00000
532 -0.0444 0.00000
533 0.0079 0.00000
534 -0.0089 0.00000
535 -0.0745 0.00000
536 -0.1498 0.00000
537 0.0309 0.00000
538 -0.0456 0.00000
539 -0.0344 0.00000
540 -0.0119 0.00000
541 -0.0179 0.00000
542 -0.0335 0.00000
543 -0.0130 0.00000
544 -0.0224 0.00000
545 0.0849 0.00000
546 -0.0299 0.00000
547 -0.0579 0.00000
548 0.0001 0.00000
549 -0.0416 0.00000
550 -0.0386 0.00000
551 -0.0187 0.00000
552 -0.0470 0.00000
553 0.0038 0.00000
554 -0.0216 0.00000
555 -0.0097 0.00000
556 -0.0043 0.00000
557 0.0003 0.00000
558 -0.0018 0.00000
559 -0.0099 0.00000
560 0.0586 0.00000
561 -0.0353 0.00000
562 0.0106 0.00000
563 -0.0387 0.00000
564 0.0173 0.00000
565 -0.0258 0.00000
566 -0.0257 0.00000
567 -0.0381 0.00000
568 0.0161 0.00000
569 -0.0880 0.00000
570 -0.0394 0.00000
571 -0.0003 0.00000
572 0.0096 0.00000
573 -0.0203 0.00000
574 -0.0728 0.00000
575 0.0062 0.00000
576 0.0151 0.00000
577 -0.0390 0.00000
578 -0.0198 0.00000
579 0.3242 0.00000
580 -0.0283 0.00000
581 -0.0642 0.00000
582 0.0222 0.00000
583 -0.0533 0.00000
584 -0.1578 0.00000
585 -0.0367 0.00000
586 -0.0636 0.00000
587 0.0244 0.00000
588 -0.0912 0.00000
589 0.0722 0.00000
590 -0.0728 0.00000
591 -0.0342 0.00000
592 -0.0832 0.00000
593 -0.0691 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0488 0.00000
597 0.0492 0.00000
598 -0.0073 0.00000
599 0.0565 0.00000
600 -0.0241 0.00000
601 -0.0007 0.00000
602 0.0363 0.00000
603 -0.0186 0.00000
604 0.0302 0.00000
605 0.0736 0.00000
606 0.1125 0.00000
607 0.0334 0.00000
608 0.0434 0.00000
609 -0.0068 0.00000
610 0.0034 0.00000
611 0.0705 0.00000
612 0.0198 0.00000
613 0.0256 0.00000
614 0.0430 0.00000
615 0.0950 0.00000
616 0.0884 0.00000
617 -0.0438 0.00000
618 0.1390 0.00000
619 0.0289 0.00000
620 -0.0085 0.00000
621 0.0231 0.00000
622 0.0606 0.00000
623 -0.0574 0.00000
624 0.0221 0.00000
625 0.0184 0.00000
626 0.0684 0.00000
627 0.0133 0.00000
628 0.0429 0.00000
629 -0.0310 0.00000
630 -0.1306 0.00000
631 0.0193 0.00000
632 0.1200 0.00000
633 -0.0239 0.00000
634 0.0065 0.00000
635 0.0607 0.00000
636 -0.0098 0.00000
637 0.0576 0.00000
638 -0.0011 0.00000
639 0.0134 0.00000
640 0.0243 0.00000
641 0.0295 0.00000
642 0.0056 0.00000
643 0.0287 0.00000
644 0.0184 0.00000
645 -0.0327 0.00000
646 -0.0229 0.00000
647 -0.0227 0.00000
648 -0.1068 0.00000
649 0.0607 0.00000
650 -0.0291 0.00000
651 -0.0142 0.00000
652 -0.0248 0.00000
653 -0.0021 0.00000
654 -0.0195 0.00000
655 -0.0062 0.00000
656 0.0112 0.00000
657 -0.0716 0.00000
658 0.0487 0.00000
659 -0.0273 0.00000
660 -0.0037 0.00000
661 0.0068 0.00000
662 0.0568 0.00000
663 0.1281 0.00000
664 -0.1033 0.00000
665 0.0042 0.00000
666 -0.0563 0.00000
667 0.0603 0.00000
668 0.0120 0.00000
669 -0.1190 0.00000
670 0.0340 0.00000
671 0.0256 0.00000
672 0.0096 0.00000
673 0.0047 0.00000
674 0.0349 0.00000
675 -0.0417 0.00000
676 0.0259 0.00000
677 0.0007 0.00000
678 -0.0042 0.00000
679 0.0119 0.00000
680 0.0152 0.00000
681 -0.0377 0.00000
682 0.0454 0.00000
683 -0.0008 0.00000
684 0.0214 0.00000
685 -0.0007 0.00000
686 0.0191 0.00000
687 -0.0140 0.00000
688 0.0878 0.00000
689 0.1238 0.00000
690 -0.0233 0.00000
691 0.0203 0.00000
692 -0.0238 0.00000
693 -0.0109 0.00000
694 -0.0064 0.00000
695 0.0052 0.00000
696 0.0873 0.00000
697 0.0302 0.00000
698 -0.1481 0.00000
699 0.0208 0.00000
700 -0.0473 0.00000
701 0.0129 0.00000
702 0.0592 0.00000
703 0.0063 0.00000
704 -0.0159 0.00000
705 0.0188 0.00000
706 -0.0484 0.00000
707 0.0222 0.00000
708 0.0331 0.00000
709 0.0149 0.00000
710 -0.0211 0.00000
711 0.0421 0.00000
712 -0.0330 0.00000
713 0.0065 0.00000
714 0.0072 0.00000
715 0.0133 0.00000
716 0.0064 0.00000
717 0.0330 0.00000
718 0.0313 0.00000
719 0.0007 0.00000
720 -0.0379 0.00000
721 0.0221 0.00000
722 -0.0704 0.00000
723 -0.0908 0.00000
724 0.0125 0.00000
725 0.0833 0.00000
726 0.0374 0.00000
727 0.0025 0.00000
728 0.0008 0.00000
729 -0.0125 0.00000
730 0.0438 0.00000
731 -0.0156 0.00000
732 -0.0052 0.00000
733 -0.0961 0.00000
734 -0.0019 0.00000
735 -0.1238 0.00000
736 0.0077 0.00000
737 -0.0549 0.00000
738 0.0394 0.00000
739 0.0029 0.00000
740 0.0351 0.00000
741 -0.0439 0.00000
742 0.0131 0.00000
743 0.0186 0.00000
744 0.0013 0.00000
745 -0.0095 0.00000
746 -0.0128 0.00000
747 -0.0375 0.00000
748 -0.0302 0.00000
749 0.0049 0.00000
750 0.0208 0.00000
751 -0.0056 0.00000
752 -0.0034 0.00000
753 -0.0584 0.00000
754 0.0181 0.00000
755 0.0395 0.00000
756 -0.0727 0.00000
757 -0.0866 0.00000
758 -0.0118 0.00000
759 -0.0303 0.00000
760 -0.0603 0.00000
761 0.1092 0.00000
762 -0.0406 0.00000
763 -0.0901 0.00000
764 -0.1599 0.00000
765 0.0095 0.00000
766 0.0067 0.00000
767 -0.0014 0.00000
768 0.0103 0.00000
769 0.0931 0.00000
770 -0.1761 0.00000
771 -0.0398 0.00000
772 -0.0049 0.00000
773 -0.0014 0.00000
774 -0.0082 0.00000
775 0.0159 0.00000
776 0.0003 0.00000
777 -0.0366 0.00000
778 0.0115 0.00000
779 -0.0095 0.00000
780 -0.0017 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0389 0.00000
2 0.0419 0.00000
3 0.0196 0.00000
4 -0.0520 0.00000
5 -0.1040 0.00000
6 -0.0104 0.00000
7 -0.0227 0.00000
8 -0.0448 0.00000
9 -0.0410 0.00000
10 -0.0386 0.00000
11 -0.0022 0.00000
12 -0.0046 0.00000
13 -0.0991 0.00000
14 0.0666 0.00000
15 0.0856 0.00000
16 0.0426 0.00000
17 -0.1022 0.00000
18 -0.1068 0.00000
19 -0.0248 0.00000
20 0.0127 0.00000
21 -0.0741 0.00000
22 0.0205 0.00000
23 -0.0433 0.00000
24 0.0267 0.00000
25 0.0602 0.00000
26 0.0944 0.00000
27 0.0721 0.00000
28 -0.0337 0.00000
29 -0.0079 0.00000
30 -0.0250 0.00000
31 0.1073 0.00000
32 0.0997 0.00000
33 -0.0255 0.00000
34 -0.0111 0.00000
35 -0.0306 0.00000
36 0.0410 0.00000
37 0.0288 0.00000
38 -0.1695 0.00000
39 0.0314 0.00000
40 0.0368 0.00000
41 -0.2382 0.00000
42 0.0069 0.00000
43 0.0123 0.00000
44 0.0119 0.00000
45 -0.1152 0.00000
46 -0.0057 0.00000
47 0.0502 0.00000
48 0.0251 0.00000
49 -0.0095 0.00000
50 -0.0260 0.00000
51 0.0177 0.00000
52 -0.0215 0.00000
53 -0.0151 0.00000
54 -0.0177 0.00000
55 -0.0144 0.00000
56 0.0350 0.00000
57 -0.0135 0.00000
58 -0.1115 0.00000
59 0.0066 0.00000
60 0.0620 0.00000
61 0.1253 0.00000
62 0.0137 0.00000
63 -0.0085 0.00000
64 0.0042 0.00000
65 -0.1736 0.00000
66 -0.0060 0.00000
67 -0.0426 0.00000
68 0.0336 0.00000
69 -0.0458 0.00000
70 -0.0920 0.00000
71 -0.0215 0.00000
72 -0.0929 0.00000
73 -0.0338 0.00000
74 -0.0678 0.00000
75 -0.0564 0.00000
76 0.0298 0.00000
77 -0.0145 0.00000
78 -0.2892 0.00000
79 -0.0367 0.00000
80 -0.0266 0.00000
81 0.0536 0.00000
82 0.0788 0.00000
83 -0.0138 0.00000
84 -0.0334 0.00000
85 -0.0146 0.00000
86 -0.0295 0.00000
87 -0.0058 0.00000
88 0.0788 0.00000
89 0.0402 0.00000
90 0.0623 0.00000
91 0.0524 0.00000
92 0.0636 0.00000
93 -0.0001 0.00000
94 -0.0704 0.00000
95 0.0304 0.00000
96 0.0614 0.00000
97 -0.0645 0.00000
98 0.4125 0.00000
99 0.2470 0.00000
100 0.2773 0.00000
101 0.3690 0.00000
102 0.0776 0.00000
103 -0.0026 0.00000
104 0.0726 0.00000
105 0.0184 0.00000
106 0.0138 0.00000
107 -0.0476 0.00000
108 0.0442 0.00000
109 0.0542 0.00000
110 -0.0135 0.00000
111 0.0190 0.00000
112 0.0476 0.00000
113 0.0207 0.00000
114 -0.0431 0.00000
115 -0.5534 0.00000
116 -0.0643 0.00000
117 -0.3785 0.00000
118 0.0108 0.00000
119 -0.0954 0.00000
120 -0.0005 0.00000
121 0.0388 0.00000
122 0.0506 0.00000
123 0.0662 0.00000
124 0.1198 0.00000
125 0.0713 0.00000
126 0.5111 0.00000
127 -0.0824 0.00000
128 0.1237 0.00000
129 0.0751 0.00000
130 0.1536 0.00000
131 0.0597 0.00000
132 -0.0693 0.00000
133 0.0009 0.00000
134 0.1675 0.00000
135 -0.0354 0.00000
136 -0.0504 0.00000
137 -0.0554 0.00000
138 -0.5049 0.00000
139 0.0356 0.00000
140 0.0027 0.00000
141 0.0098 0.00000
142 -0.1162 0.00000
143 0.0151 0.00000
144 -0.0072 0.00000
145 -0.0441 0.00000
146 -0.0872 0.00000
147 -0.1225 0.00000
148 0.0355 0.00000
149 -0.1490 0.00000
150 0.0316 0.00000
151 0.0094 0.00000
152 -0.0079 0.00000
153 0.0156 0.00000
154 -0.0739 0.00000
155 0.0302 0.00000
156 0.0594 0.00000
157 -0.0038 0.00000
158 -0.0210 0.00000
159 0.0815 0.00000
160 0.0200 0.00000
161 0.0176 0.00000
162 0.0070 0.00000
163 -0.1283 0.00000
164 -0.0002 0.00000
165 -0.0363 0.00000
166 0.1252 0.00000
167 0.0314 0.00000
168 0.0273 0.00000
169 0.0356 0.00000
170 -0.0843 0.00000
171 -0.0523 0.00000
172 -0.0074 0.00000
173 -0.0360 0.00000
174 -0.0881 0.00000
175 0.0155 0.00000
176 -0.0533 0.00000
177 -0.0597 0.00000
178 -0.0070 0.00000
179 -0.0152 0.00000
180 -0.0412 0.00000
181 0.0414 0.00000
182 -0.0203 0.00000
183 0.0176 0.00000
184 -0.0334 0.00000
185 -0.0016 0.00000
186 0.0060 0.00000
187 0.0161 0.00000
188 0.0462 0.00000
189 0.0024 0.00000
190 -0.0242 0.00000
191 -0.0017 0.00000
192 -0.0034 0.00000
193 -0.0125 0.00000
194 -0.0529 0.00000
195 -0.0922 0.00000
196 -0.0304 0.00000
197 0.0013 0.00000
198 0.0570 0.00000
199 -0.0142 0.00000
200 0.0078 0.00000
201 0.0215 0.00000
202 -0.0017 0.00000
203 0.0010 0.00000
204 0.0337 0.00000
205 -0.0187 0.00000
206 -0.0905 0.00000
207 -0.0107 0.00000
208 -0.0169 0.00000
209 -0.0182 0.00000
210 0.0826 0.00000
211 -0.0025 0.00000
212 -0.0166 0.00000
213 -0.0472 0.00000
214 -0.0458 0.00000
215 0.0361 0.00000
216 -0.0129 0.00000
217 -0.0440 0.00000
218 -0.0109 0.00000
219 0.0070 0.00000
220 0.0205 0.00000
221 0.1572 0.00000
222 -0.0116 0.00000
223 -0.0562 0.00000
224 -0.0356 0.00000
225 0.0030 0.00000
226 -0.2193 0.00000
227 -0.0536 0.00000
228 -0.0242 0.00000
229 -0.0939 0.00000
230 0.0005 0.00000
231 0.0669 0.00000
232 -0.0835 0.00000
233 -0.1013 0.00000
234 0.0146 0.00000
235 0.0627 0.00000
236 -0.0079 0.00000
237 0.0500 0.00000
238 0.0702 0.00000
239 0.0991 0.00000
240 0.0069 0.00000
241 0.0529 0.00000
242 0.0256 0.00000
243 0.0607 0.00000
244 -0.0856 0.00000
245 0.1167 0.00000
246 0.0407 0.00000
247 0.0666 0.00000
248 0.1933 0.00000
249 0.0427 0.00000
250 0.0361 0.00000
251 -0.0037 0.00000
252 -0.0254 0.00000
253 0.0461 0.00000
254 0.0259 0.00000
255 0.0035 0.00000
256 0.0915 0.00000
257 0.0114 0.00000
258 -0.0034 0.00000
259 0.0326 0.00000
260 0.0719 0.00000
261 0.0090 0.00000
262 0.0000 0.00000
263 -0.0161 0.00000
264 0.0074 0.00000
265 -0.0289 0.00000
266 0.0419 0.00000
267 0.0258 0.00000
268 0.0112 0.00000
269 -0.0770 0.00000
270 0.0370 0.00000
271 0.1064 0.00000
272 0.0781 0.00000
273 0.0163 0.00000
274 0.0112 0.00000
275 0.1062 0.00000
276 -0.0704 0.00000
277 -0.0513 0.00000
278 -0.0244 0.00000
279 0.0467 0.00000
280 0.0601 0.00000
281 0.1297 0.00000
282 0.0111 0.00000
283 -0.0520 0.00000
284 0.0041 0.00000
285 -0.0037 0.00000
286 0.0686 0.00000
287 0.0359 0.00000
288 0.0118 0.00000
289 0.1224 0.00000
290 -0.0894 0.00000
291 0.0048 0.00000
292 0.1600 0.00000
293 0.0568 0.00000
294 0.0375 0.00000
295 0.0259 0.00000
296 0.1151 0.00000
297 0.1019 0.00000
298 0.0235 0.00000
299 0.0939 0.00000
300 -0.0101 0.00000
301 -0.0453 0.00000
302 -0.0121 0.00000
303 0.0749 0.00000
304 -0.0491 0.00000
305 0.0925 0.00000
306 0.0171 0.00000
307 0.0368 0.00000
308 0.1141 0.00000
309 0.2061 0.00000
310 -0.0200 0.00000
311 0.0911 0.00000
312 -0.0441 0.00000
313 0.0905 0.00000
314 0.0941 0.00000
315 -0.0235 0.00000
316 0.0073 0.00000
317 0.0072 0.00000
318 0.0487 0.00000
319 0.0752 0.00000
320 0.0686 0.00000
321 -0.0251 0.00000
322 -0.0202 0.00000
323 -0.0673 0.00000
324 0.1893 0.00000
325 -0.0082 0.00000
326 0.1410 0.00000
327 -0.0619 0.00000
328 -0.2058 0.00000
329 -0.0936 0.00000
330 -0.0036 0.00000
331 0.0828 0.00000
332 -0.0819 0.00000
333 0.0296 0.00000
334 0.0275 0.00000
335 -0.2038 0.00000
336 0.1106 0.00000
337 0.0467 0.00000
338 0.1355 0.00000
339 -0.0728 0.00000
340 -0.1380 0.00000
341 -0.1449 0.00000
342 -0.0001 0.00000
343 -0.0314 0.00000
344 0.0328 0.00000
345 -0.0493 0.00000
346 -0.0044 0.00000
347 -0.0032 0.00000
348 -0.0523 0.00000
349 -0.0238 0.00000
350 -0.1030 0.00000
351 -0.0453 0.00000
352 -0.0360 0.00000
353 -0.0350 0.00000
354 0.0007 0.00000
355 0.0225 0.00000
356 0.0642 0.00000
357 0.0138 0.00000
358 0.0788 0.00000
359 -0.0015 0.00000
360 -0.1161 0.00000
361 0.0188 0.00000
362 -0.0197 0.00000
363 -0.0152 0.00000
364 0.0234 0.00000
365 -0.0568 0.00000
366 -0.0221 0.00000
367 0.0056 0.00000
368 -0.0586 0.00000
369 0.0001 0.00000
370 -0.0062 0.00000
371 -0.0093 0.00000
372 0.2539 0.00000
373 0.0035 0.00000
374 -0.0400 0.00000
375 0.0154 0.00000
376 -0.0071 0.00000
377 -0.0375 0.00000
378 0.0073 0.00000
379 -0.0652 0.00000
380 -0.0572 0.00000
381 -0.0390 0.00000
382 0.0348 0.00000
383 0.0202 0.00000
384 -0.0388 0.00000
385 -0.0107 0.00000
386 0.0024 0.00000
387 0.0833 0.00000
388 0.0243 0.00000
389 -0.0245 0.00000
390 -0.0018 0.00000
391 -0.0422 0.00000
392 0.0112 0.00000
393 -0.0059 0.00000
394 -0.0015 0.00000
395 0.0018 0.00000
396 0.0612 0.00000
397 -0.0619 0.00000
398 -0.0107 0.00000
399 -0.0153 0.00000
400 0.0167 0.00000
401 -0.0254 0.00000
402 -0.0402 0.00000
403 -0.0213 0.00000
404 -0.0194 0.00000
405 -0.0271 0.00000
406 -0.0082 0.00000
407 -0.0766 0.00000
408 -0.0487 0.00000
409 -0.0869 0.00000
410 0.0015 0.00000
411 -0.0428 0.00000
412 -0.0145 0.00000
413 -0.0110 0.00000
414 0.0161 0.00000
415 -0.0893 0.00000
416 -0.0336 0.00000
417 -0.1153 0.00000
418 -0.0286 0.00000
419 -0.0217 0.00000
420 -0.0411 0.00000
421 -0.0353 0.00000
422 -0.0067 0.00000
423 -0.0325 0.00000
424 -0.0200 0.00000
425 -0.0175 0.00000
426 -0.0537 0.00000
427 -0.0178 0.00000
428 0.0216 0.00000
429 -0.0147 0.00000
430 0.0058 0.00000
431 -0.0238 0.00000
432 -0.0126 0.00000
433 -0.0590 0.00000
434 -0.0203 0.00000
435 -0.0108 0.00000
436 -0.0217 0.00000
437 -0.0421 0.00000
438 0.0253 0.00000
439 -0.0058 0.00000
440 -0.0246 0.00000
441 -0.0806 0.00000
442 0.0151 0.00000
443 -0.0035 0.00000
444 -0.0216 0.00000
445 -0.0704 0.00000
446 -0.0074 0.00000
447 -0.0133 0.00000
448 -0.0125 0.00000
449 -0.0536 0.00000
450 -0.0372 0.00000
451 -0.0641 0.00000
452 -0.0025 0.00000
453 -0.0110 0.00000
454 -0.0119 0.00000
455 -0.0146 0.00000
456 -0.0046 0.00000
457 0.0075 0.00000
458 -0.0051 0.00000
459 0.0026 0.00000
460 -0.0314 0.00000
461 0.0144 0.00000
462 0.0170 0.00000
463 -0.0376 0.00000
464 -0.0064 0.00000
465 -0.0706 0.00000
466 -0.0111 0.00000
467 -0.0219 0.00000
468 0.0174 0.00000
469 0.0057 0.00000
470 0.0231 0.00000
471 0.0135 0.00000
472 0.0605 0.00000
473 0.0190 0.00000
474 0.0296 0.00000
475 0.0264 0.00000
476 0.1066 0.00000
477 -0.0287 0.00000
478 -0.0286 0.00000
479 0.0427 0.00000
480 -0.0020 0.00000
481 -0.0306 0.00000
482 -0.0093 0.00000
483 0.0025 0.00000
484 0.0354 0.00000
485 -0.0904 0.00000
486 0.0354 0.00000
487 0.0453 0.00000
488 -0.0103 0.00000
489 0.0120 0.00000
490 0.0174 0.00000
491 -0.0459 0.00000
492 0.0111 0.00000
493 0.0269 0.00000
494 0.0424 0.00000
495 0.0135 0.00000
496 -0.0667 0.00000
497 0.0315 0.00000
498 -0.0423 0.00000
499 -0.0277 0.00000
500 -0.0523 0.00000
501 -0.0073 0.00000
502 -0.0066 0.00000
503 0.0004 0.00000
504 -0.0107 0.00000
505 -0.0072 0.00000
506 0.0371 0.00000
507 0.0028 0.00000
508 -0.0063 0.00000
509 -0.0002 0.00000
510 -0.0266 0.00000
511 0.0412 0.00000
512 0.0030 0.00000
513 0.0014 0.00000
514 0.0300 0.00000
515 -0.0731 0.00000
516 0.0171 0.00000
517 -0.0135 0.00000
518 -0.0032 0.00000
519 0.0266 0.00000
520 -0.0074 0.00000
521 0.0004 0.00000
522 -0.0481 0.00000
523 -0.0932 0.00000
524 -0.0809 0.00000
525 -0.0079 0.00000
526 0.0309 0.00000
527 0.0274 0.00000
528 -0.0392 0.00000
529 0.0162 0.00000
530 -0.0257 0.00000
531 -0.0538 0.00000
532 -0.0212 0.00000
533 -0.0773 0.00000
534 -0.1044 0.00000
535 -0.0449 0.00000
536 0.0148 0.00000
537 -0.0773 0.00000
538 0.0361 0.00000
539 -0.0179 0.00000
540 0.0062 0.00000
541 -0.0602 0.00000
542 -0.0413 0.00000
543 -0.0162 0.00000
544 0.0455 0.00000
545 -0.0221 0.00000
546 -0.0071 0.00000
547 -0.0421 0.00000
548 -0.0150 0.00000
549 -0.0219 0.00000
550 -0.0422 0.00000
551 -0.0132 0.00000
552 -0.0390 0.00000
553 0.0025 0.00000
554 -0.0118 0.00000
555 0.0106 0.00000
556 -0.0435 0.00000
557 0.0040 0.00000
558 0.0024 0.00000
559 0.0062 0.00000
560 -0.0246 0.00000
561 0.0070 0.00000
562 -0.0122 0.00000
563 0.0665 0.00000
564 0.0110 0.00000
565 -0.0451 0.00000
566 -0.0390 0.00000
567 -0.0464 0.00000
568 -0.0844 0.00000
569 0.0136 0.00000
570 -0.0178 0.00000
571 -0.0049 0.00000
572 -0.0560 0.00000
573 0.0367 0.00000
574 -0.1204 0.00000
575 0.0194 0.00000
576 0.0233 0.00000
577 -0.0063 0.00000
578 -0.0245 0.00000
579 0.1420 0.00000
580 0.1254 0.00000
581 -0.0851 0.00000
582 -0.0405 0.00000
583 0.1273 0.00000
584 -0.2118 0.00000
585 -0.0347 0.00000
586 -0.0985 0.00000
587 0.0168 0.00000
588 -0.0878 0.00000
589 0.0721 0.00000
590 -0.0725 0.00000
591 -0.0343 0.00000
592 -0.0814 0.00000
593 -0.0701 0.00000
594 -0.0061 0.00000
595 -0.0066 0.00000
596 0.0488 0.00000
597 0.0492 0.00000
598 -0.0080 0.00000
599 0.0541 0.00000
600 -0.0310 0.00000
601 -0.0049 0.00000
602 0.0491 0.00000
603 -0.0053 0.00000
604 0.0199 0.00000
605 0.0965 0.00000
606 0.0579 0.00000
607 0.0405 0.00000
608 0.0696 0.00000
609 -0.0282 0.00000
610 0.0476 0.00000
611 0.0229 0.00000
612 0.0536 0.00000
613 -0.0029 0.00000
614 0.0733 0.00000
615 0.1801 0.00000
616 0.0334 0.00000
617 0.0256 0.00000
618 0.0416 0.00000
619 -0.0194 0.00000
620 0.0126 0.00000
621 0.0562 0.00000
622 -0.0086 0.00000
623 -0.0414 0.00000
624 0.0880 0.00000
625 -0.0182 0.00000
626 0.0009 0.00000
627 0.0414 0.00000
628 -0.0910 0.00000
629 0.0364 0.00000
630 0.0369 0.00000
631 0.0531 0.00000
632 0.0468 0.00000
633 0.0224 0.00000
634 0.0129 0.00000
635 0.0118 0.00000
636 -0.0074 0.00000
637 -0.0883 0.00000
638 -0.0120 0.00000
639 0.0770 0.00000
640 0.0352 0.00000
641 -0.0248 0.00000
642 -0.0339 0.00000
643 0.0121 0.00000
644 0.0152 0.00000
645 0.0225 0.00000
646 -0.0000 0.00000
647 0.0099 0.00000
648 -0.0044 0.00000
649 0.0096 0.00000
650 0.0321 0.00000
651 0.0327 0.00000
652 -0.0099 0.00000
653 -0.0287 0.00000
654 0.0298 0.00000
655 -0.0521 0.00000
656 -0.0175 0.00000
657 0.0104 0.00000
658 -0.0058 0.00000
659 -0.0290 0.00000
660 0.0066 0.00000
661 -0.0273 0.00000
662 0.0705 0.00000
663 -0.0093 0.00000
664 0.0122 0.00000
665 0.0268 0.00000
666 -0.0308 0.00000
667 0.0100 0.00000
668 0.0341 0.00000
669 -0.0493 0.00000
670 -0.0240 0.00000
671 0.0013 0.00000
672 0.0045 0.00000
673 -0.0065 0.00000
674 0.0101 0.00000
675 -0.0058 0.00000
676 -0.0255 0.00000
677 0.0382 0.00000
678 -0.0448 0.00000
679 0.1220 0.00000
680 -0.0687 0.00000
681 -0.0105 0.00000
682 -0.0390 0.00000
683 0.0105 0.00000
684 0.0520 0.00000
685 -0.0121 0.00000
686 0.0224 0.00000
687 0.0462 0.00000
688 -0.0107 0.00000
689 0.0569 0.00000
690 0.0309 0.00000
691 -0.0413 0.00000
692 0.0173 0.00000
693 -0.0782 0.00000
694 -0.0636 0.00000
695 -0.0205 0.00000
696 0.0685 0.00000
697 0.0095 0.00000
698 0.0378 0.00000
699 0.0062 0.00000
700 0.0126 0.00000
701 0.0305 0.00000
702 0.0702 0.00000
703 -0.0002 0.00000
704 -0.0246 0.00000
705 0.0095 0.00000
706 -0.0285 0.00000
707 0.0068 0.00000
708 0.0196 0.00000
709 -0.0090 0.00000
710 0.0747 0.00000
711 -0.0617 0.00000
712 -0.0214 0.00000
713 0.0493 0.00000
714 0.0146 0.00000
715 0.0061 0.00000
716 0.0007 0.00000
717 -0.0155 0.00000
718 -0.0270 0.00000
719 -0.0115 0.00000
720 0.0165 0.00000
721 -0.0837 0.00000
722 0.0177 0.00000
723 0.0514 0.00000
724 -0.0206 0.00000
725 -0.1061 0.00000
726 0.0165 0.00000
727 0.0772 0.00000
728 0.0512 0.00000
729 0.0587 0.00000
730 -0.1027 0.00000
731 0.0136 0.00000
732 0.0465 0.00000
733 0.0352 0.00000
734 -0.0153 0.00000
735 -0.0252 0.00000
736 -0.0142 0.00000
737 -0.0728 0.00000
738 0.0042 0.00000
739 -0.0226 0.00000
740 0.0439 0.00000
741 -0.0011 0.00000
742 0.0037 0.00000
743 -0.0020 0.00000
744 0.0141 0.00000
745 0.0276 0.00000
746 -0.0028 0.00000
747 0.0213 0.00000
748 -0.1819 0.00000
749 0.0156 0.00000
750 -0.0039 0.00000
751 0.0146 0.00000
752 -0.0190 0.00000
753 -0.0099 0.00000
754 -0.0345 0.00000
755 -0.0218 0.00000
756 -0.0161 0.00000
757 -0.1992 0.00000
758 -0.0226 0.00000
759 0.0913 0.00000
760 -0.0358 0.00000
761 0.0376 0.00000
762 0.0232 0.00000
763 -0.0233 0.00000
764 -0.0084 0.00000
765 -0.0776 0.00000
766 -0.0186 0.00000
767 -0.1691 0.00000
768 0.0257 0.00000
769 -0.0099 0.00000
770 -0.0673 0.00000
771 -0.0106 0.00000
772 -0.1257 0.00000
773 -0.0049 0.00000
774 -0.0016 0.00000
775 -0.1121 0.00000
776 -0.0811 0.00000
777 0.0716 0.00000
778 -0.0226 0.00000
779 -0.0400 0.00000
780 0.0131 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 4 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
0.73693 -2.53568 -4.00214
-2.53578 -4.51201 7.18878
-4.00195 7.18820 -2.57404
POSITION FORCE-CONSTANT FOR ION 4 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.062656 -0.008436 0.124554
4.30302 2.15352 7.05746 0.068371 0.160568 -2.252763
1.30883 4.06731 2.03161 0.467619 0.243706 0.333183
3.96992 4.32885 4.13194 0.989531 -25.616325 0.232290
1.29275 3.05683 8.10201 0.704790 -0.501202 -0.137967
3.79636 1.47547 14.70421 -0.018375 -0.028995 0.038541
1.24643 4.63551 10.86193 -0.004894 -0.269389 0.021068
3.89005 4.20092 12.88287 0.004292 -0.090459 0.000370
1.04482 6.69020 17.44020 -0.062053 -0.247098 0.040117
3.77370 7.04599 6.61024 0.241806 1.544141 1.296135
0.71312 9.21049 2.53845 -0.163971 0.064606 -0.138638
3.86880 9.70388 4.59023 -0.034200 0.733238 -0.256785
1.19399 7.29663 8.75952 -0.539740 -0.042490 0.490404
4.14925 6.52609 15.71477 -0.044906 -0.035274 -0.066728
1.16791 10.19708 10.50563 -0.015039 0.183022 0.084955
3.90202 11.30466 11.97145 0.002844 0.076126 0.037217
1.41963 13.48240 16.88000 0.000620 0.084285 0.038843
3.89470 12.50036 6.39588 0.009453 0.303414 0.075420
1.24092 15.65995 2.03746 0.038127 0.148253 0.028664
3.45676 13.88732 3.60018 -0.016033 0.190768 -0.018325
1.37686 12.90671 8.69683 -0.009402 0.128521 0.011689
4.20896 12.98001 14.89140 -0.010874 0.083931 0.001911
1.28271 15.54574 11.35729 0.015643 0.081751 -0.021629
4.02704 16.14416 13.12883 0.009595 0.051014 -0.038066
8.51844 2.13686 0.32759 0.058914 -0.045885 0.020577
10.42520 1.68659 6.72748 -0.101509 -0.008914 0.049066
6.89192 4.41938 2.41726 0.410312 0.259349 -0.178297
10.22536 4.35381 4.16682 0.051400 -0.068523 0.005859
7.19238 2.15284 8.75827 -0.594173 -0.059304 -0.361910
10.67141 2.29852 15.08728 0.011723 -0.036370 -0.007095
7.24075 4.59797 11.01224 0.021343 -0.318566 -0.003777
10.30176 4.56419 12.61212 0.002129 -0.037823 -0.004939
6.40057 6.85176 0.36515 0.110265 -0.052100 -0.170679
9.75325 6.62606 6.90745 0.114210 -0.096426 0.005026
6.24007 9.67823 1.67645 0.096383 0.112365 -0.131460
6.65558 7.06042 8.79421 0.328414 0.145354 0.289522
11.80692 6.94639 14.05727 -0.002353 -0.014019 -0.008042
6.39955 9.97659 10.34026 0.015584 0.144167 0.073733
11.03265 10.16848 13.84914 0.012106 0.014607 0.003892
6.77345 12.10505 16.99256 0.012365 0.111547 -0.048124
10.32223 13.09442 6.99099 0.010774 0.077512 0.005920
10.59365 15.96480 4.77521 -0.036220 0.044790 0.004559
6.94250 12.79247 7.88185 0.028347 0.098065 0.000384
10.18654 12.31147 16.08279 0.018332 0.038444 -0.006868
7.13888 17.01345 11.20310 -0.020058 0.043923 -0.110153
10.37682 0.23169 12.64835 -0.034430 0.000327 -0.022856
13.24904 1.54346 17.14370 0.019701 -0.010548 -0.003607
15.89410 1.64185 6.44545 0.099686 -0.065736 0.030132
12.98857 4.28042 2.14546 0.019188 -0.036678 -0.001833
15.96785 4.32998 4.48967 0.004796 -0.258925 -0.142091
13.27097 1.52537 8.57426 0.006651 -0.027069 -0.054950
16.03461 1.53130 15.21659 0.029872 -0.030876 0.029340
13.37701 3.97590 10.80799 -0.002492 -0.053679 -0.007516
16.23421 4.17555 13.11475 -0.005548 -0.054524 0.014227
13.12188 6.75851 16.83328 0.006279 -0.021866 0.000869
16.15350 6.82329 6.57280 -0.212304 -0.061524 -0.045566
13.80451 11.28726 3.11364 -0.026060 0.067128 -0.027817
16.01530 9.31599 4.57229 -0.095237 0.072634 -0.000215
16.24774 6.95131 14.97400 0.000960 -0.030426 -0.005290
13.37358 11.10317 11.33384 -0.007783 0.045728 -0.004368
16.26481 10.28310 12.82929 -0.027481 0.021403 0.035297
13.02958 12.87265 0.34345 -0.001258 0.066583 -0.003637
15.63587 13.81058 6.90598 0.007848 0.072056 -0.018738
13.11026 15.86276 1.91698 0.006645 0.037771 0.033539
16.04847 15.98249 4.25314 0.051818 0.076398 -0.015538
12.92950 13.50280 9.01948 -0.003271 0.054068 -0.009063
16.03470 13.24150 15.21399 0.004969 0.055704 -0.001341
13.00717 16.52927 10.76204 -0.000452 0.025505 -0.005659
15.92967 15.85673 13.13419 0.022160 0.030653 -0.024397
1.86054 17.36365 1.29865 -0.010855 0.000519 0.011619
4.17830 2.73136 5.21241 -0.381320 7.257095 -1.555155
3.26426 5.75851 5.24301 -2.002325 6.659214 1.946638
17.49829 1.67854 7.58538 -0.083987 0.041868 -0.015686
1.16532 17.05709 10.27678 0.013731 -0.011384 -0.006655
3.43296 5.28736 14.40974 0.000048 0.026240 0.016122
5.78979 4.58179 12.35127 -0.000203 0.039143 -0.004584
2.66622 1.96025 16.18884 0.002341 0.018609 -0.022492
17.32027 0.89679 16.51550 -0.017292 0.017579 -0.020061
0.46199 8.18893 0.93413 0.021463 0.020461 0.004830
5.39231 10.11127 3.40660 0.000206 -0.072502 0.049485
2.32066 9.80687 3.44943 0.021022 -0.065281 0.042597
4.91964 7.92130 14.71679 0.004654 0.010753 0.007362
2.68710 7.23238 16.69438 0.002022 0.023204 0.001207
0.01020 10.88204 2.02154 0.020124 -0.002701 0.020446
4.21835 0.28129 6.98759 -0.032475 -0.295701 0.429738
17.23783 13.81793 8.03064 0.000291 -0.014910 -0.000416
4.79582 14.66186 14.12172 -0.002000 -0.023568 0.007918
1.82404 14.00413 10.26937 0.006245 -0.028450 -0.008086
5.26768 16.92854 11.79676 -0.006147 -0.014550 0.017941
10.96027 2.96124 5.34122 -0.005158 0.024992 -0.025078
6.97457 3.04582 1.08259 -0.171815 0.054998 0.147269
10.16898 6.05361 5.08582 -0.023763 0.026231 0.000099
8.34039 4.05066 3.68939 -0.116211 -0.012021 -0.016786
8.74489 2.42632 7.55292 0.083543 0.013167 -0.006138
7.18775 0.35634 9.46384 0.059226 -0.039418 0.059913
11.47395 4.04892 11.19556 -0.000643 0.013718 0.001361
9.15080 2.77757 16.12393 -0.013519 0.023518 0.007441
7.98734 0.36277 0.04247 -0.021803 0.022541 0.009565
8.09306 7.37877 7.53063 -0.076364 -0.014597 0.007268
5.20414 6.37683 7.73407 -0.377465 -0.161952 -0.450030
12.25313 11.32613 12.87115 -0.002203 -0.005553 0.000259
7.88582 9.71337 11.41294 -0.004157 -0.014890 -0.003273
7.90588 7.26091 16.85699 -0.007110 0.016106 0.002730
11.07224 14.64349 6.08452 -0.001356 -0.018766 0.005438
9.97410 0.03402 5.82220 0.015609 0.001704 -0.012730
11.77786 16.49122 3.26041 0.007328 -0.005008 -0.008128
6.65717 11.67689 9.40508 -0.010037 -0.030826 0.007274
7.76961 15.24886 11.07941 0.007593 -0.005173 0.022960
8.52712 0.41686 12.29829 0.012365 -0.004980 0.013565
13.11181 17.12784 0.26607 -0.000591 0.002545 -0.002212
13.20693 2.50512 1.34897 -0.001562 0.019025 0.004691
17.29335 3.71694 3.19979 -0.073149 -0.033043 0.004666
14.20035 4.69758 3.69278 -0.006435 0.032185 0.016823
14.59997 3.56179 12.23787 -0.000757 0.015115 -0.000880
13.57708 5.48481 0.72232 0.000663 0.020941 -0.005181
12.29749 8.18631 0.22048 0.000120 0.008956 0.000840
16.86596 10.59176 5.62457 -0.004770 -0.004051 -0.008299
16.66958 8.43890 13.63905 0.000899 0.008062 -0.004590
16.67265 11.67449 14.15979 0.004679 -0.013954 -0.007164
14.70756 7.45696 15.98014 -0.000270 0.011253 0.000557
16.06899 0.34084 4.92526 -0.007393 0.009606 -0.009102
14.63768 15.41566 3.05858 -0.004177 -0.008107 -0.005650
12.21694 15.07373 9.87203 0.002197 -0.009366 -0.001184
15.65466 0.14914 13.86557 -0.006905 0.006422 -0.000400
14.35754 15.71932 11.91759 -0.001793 -0.001560 0.003302
14.30081 12.83268 16.21967 0.001006 -0.010078 0.000329
8.77223 10.39607 2.47225 0.034035 0.031414 0.006071
12.91187 8.54216 10.48161 -0.000556 0.009712 0.001982
8.49467 15.82840 2.99445 -0.014111 0.019477 0.000981
1.32045 2.68577 1.08043 -0.000544 0.066979 0.044212
5.44581 4.42337 3.31859 0.517481 3.403001 -0.305313
2.71895 4.15019 2.95898 0.589355 3.338766 0.549805
2.89361 2.63574 7.84048 -0.985006 0.216727 0.754639
3.72928 2.61904 13.46082 0.002532 0.070465 -0.028931
1.12195 3.42722 9.72736 -0.068482 0.160047 0.107085
2.69176 4.49808 11.70258 -0.012660 0.038236 -0.008101
1.13271 5.33613 0.95032 -0.172689 0.328647 -0.348422
4.03043 8.42197 5.67301 -0.103152 -0.833494 0.183678
3.75157 11.03623 5.64253 0.000980 -0.273407 -0.102483
2.52170 7.25791 7.75547 0.494057 -0.326235 -0.814326
17.39856 7.13193 7.68295 0.163697 0.017420 0.020978
1.18188 6.06412 9.94036 0.035185 0.190092 -0.171243
1.18202 8.73358 9.65531 0.050430 -0.162277 -0.140020
3.91098 11.84592 13.59643 -0.004872 -0.042063 -0.027622
5.12928 10.31683 11.41789 0.014032 -0.030688 -0.012191
2.50977 10.51875 11.46580 -0.025401 -0.032405 -0.017106
17.45087 6.59897 16.12377 -0.006679 0.041055 -0.018799
3.55980 13.67281 5.25157 0.007547 -0.075107 0.044613
1.28803 14.62748 0.64715 0.003217 -0.075020 -0.061302
4.98905 14.24610 3.11864 -0.005047 -0.027979 0.003024
2.40264 15.06164 3.08512 0.023010 -0.060852 0.015265
2.72172 12.72875 7.62075 0.024257 -0.041032 -0.025413
1.06333 11.39589 9.35618 -0.004129 -0.080631 0.029001
3.61212 17.43666 14.11103 -0.000960 0.003828 0.001072
2.61877 15.69429 12.36150 -0.011065 -0.017095 -0.001521
2.80206 13.36593 15.83914 0.002230 -0.026868 -0.002056
17.47316 13.58140 16.05649 -0.012236 -0.023057 -0.008074
9.77890 2.08644 1.42003 -0.008518 0.027359 -0.005118
11.39452 4.37239 2.86549 -0.021366 0.032783 0.013591
5.75314 2.47184 7.89843 0.848464 -0.067781 0.826777
10.58974 3.42804 13.84178 -0.001901 0.025984 -0.008385
7.29963 3.26088 10.01774 0.053985 0.196623 0.184540
10.61644 6.04073 13.30213 0.008204 0.027898 0.009242
8.72282 4.57356 11.93667 -0.002931 0.033857 -0.000573
6.87268 5.85394 1.60201 -0.005402 0.146393 -0.119766
10.69996 7.99849 7.09252 -0.013403 0.010384 -0.001407
5.73707 8.23825 1.01832 -0.038282 -0.011393 0.043009
10.63831 11.82289 5.95914 0.003222 -0.036821 -0.009909
12.27791 10.92294 3.59234 0.001933 -0.015617 0.005766
7.82470 9.40720 2.06031 -0.045354 -0.006054 0.001117
7.06519 5.95381 10.03323 -0.107592 0.186920 -0.213507
11.49637 8.56646 14.11248 -0.002156 0.005139 0.001430
6.22218 8.54831 9.46647 -0.022575 -0.149623 -0.088670
10.64255 10.88430 15.28736 0.000002 -0.015302 -0.003750
5.27533 6.08183 16.89617 0.018950 0.031987 0.058565
6.19392 10.87447 0.49133 -0.021356 -0.082229 0.066286
6.63594 13.50144 0.40946 0.000738 -0.036096 -0.010819
9.20318 15.33527 4.12194 0.010461 -0.010952 0.005290
8.65369 12.87516 7.41323 -0.006776 -0.029329 0.001925
5.50203 12.61795 6.94111 -0.033401 -0.037172 -0.015403
10.10713 13.64215 15.27789 0.000051 -0.020695 0.004047
10.67911 0.87544 14.08625 0.009196 0.024740 0.021092
11.60356 17.20368 11.75834 0.011409 0.000174 0.000638
8.39118 11.91622 16.60701 -0.015465 -0.019591 0.003117
5.50451 12.34914 15.80657 0.018729 -0.034947 0.017238
15.73327 3.04046 5.55542 -0.017733 0.088608 -0.015920
16.46394 5.60663 5.46979 0.082337 0.124540 0.087216
14.52808 1.45286 7.47168 -0.036264 0.017359 0.026643
11.79275 1.56088 7.78873 0.024648 0.018721 0.014971
13.32704 0.21681 9.64565 -0.000233 0.000470 0.013336
16.41790 2.90736 14.26355 -0.002539 0.044354 -0.022117
13.45171 2.82808 9.57211 0.002473 0.043995 0.027426
16.10069 5.57752 13.99343 0.001877 0.042333 0.014840
0.00005 4.40711 11.99025 0.010162 0.034213 -0.009888
14.62884 1.73967 16.17160 -0.015888 0.015063 0.003152
11.98368 2.03831 16.06725 -0.008523 0.017058 -0.008778
15.63239 8.11986 5.68103 0.024209 -0.010482 0.008513
17.11138 8.55854 3.60414 0.050497 -0.028648 -0.001078
14.79559 9.98222 3.60061 0.036839 -0.043282 0.026645
14.83832 6.40254 7.47085 0.043173 0.028110 -0.014483
10.26118 5.42988 7.96507 -0.013555 0.048742 -0.017711
13.84142 5.42996 10.14226 0.005149 0.031725 -0.010495
12.90067 9.94534 10.26834 0.001272 -0.010835 -0.007001
17.40760 10.25314 11.57387 0.034842 -0.017311 -0.038837
14.84553 10.65634 12.01294 0.012683 -0.010466 -0.000524
12.09160 6.31793 15.56215 0.004187 0.014761 0.007313
13.66330 11.76838 1.50243 0.006375 -0.031161 0.026439
15.90808 14.97969 5.66759 -0.010701 -0.048417 0.037057
12.90234 14.38066 1.10662 -0.000047 -0.048211 -0.022561
17.39979 15.79595 3.12260 -0.026639 -0.015936 0.015656
14.24465 13.87010 7.98683 -0.002700 -0.020378 0.002901
11.50975 12.98027 8.22780 -0.001299 -0.025605 0.000513
13.37751 12.44417 10.26044 0.006578 -0.034741 0.019165
15.76289 14.59733 14.23402 -0.003518 -0.035127 0.018743
17.35248 15.55367 12.27553 -0.024248 -0.009343 0.014421
11.51892 12.39014 17.28946 -0.003921 -0.015973 -0.000406
2.14782 0.44560 2.19550 0.018008 0.014201 0.002643
3.29477 2.11300 4.94555 -0.168772 0.972475 -0.415967
2.45654 5.15830 5.71352 0.619098 -0.509442 -0.532260
17.13665 1.28635 8.55333 -0.006184 0.015002 -0.000713
2.05496 17.16622 9.63831 0.004657 0.012173 -0.011843
2.76007 4.61458 14.97268 0.002208 0.000192 0.001179
5.82104 5.64963 12.65472 -0.000349 0.005170 0.012228
1.99867 2.73895 15.76239 -0.000959 0.003893 -0.001890
16.62702 0.41219 17.23014 0.003639 0.006408 0.003054
0.53299 8.97932 0.15968 0.002794 0.011627 0.009491
6.28070 9.99466 4.05905 0.014549 0.018240 -0.001488
2.80484 10.34140 2.60493 0.013328 -0.012598 0.008877
5.85876 7.59725 14.24081 -0.003094 0.002987 0.001310
2.33378 8.07412 16.06384 0.007306 0.009549 0.003014
0.72196 11.42800 1.39191 0.000039 0.012175 -0.007131
4.17641 17.36384 8.00554 -0.008077 -0.170967 0.030560
0.17664 14.81238 7.80592 0.004739 0.003503 -0.003167
5.28314 15.15948 14.98492 -0.001740 0.003758 0.001162
1.99589 13.21868 11.02572 -0.000439 0.004303 0.003438
4.90269 16.46159 10.85427 0.003462 0.016419 -0.008685
11.44760 2.27402 4.62061 0.001177 0.010631 -0.002106
6.42001 2.18281 1.50214 -0.021246 0.009630 0.011015
11.20298 6.44871 5.00937 -0.002110 0.003238 0.001430
8.23943 2.94593 3.71752 -0.010358 0.014153 0.030143
9.07830 3.43667 7.86385 0.007795 -0.013056 -0.002553
8.13841 17.45818 9.05432 0.003874 -0.010875 0.010668
11.09062 4.59939 10.31069 -0.000734 -0.000610 0.000732
8.29143 2.75175 15.42638 -0.000071 0.001699 -0.002336
8.82941 17.22992 17.22214 0.006459 0.013929 -0.001192
7.50840 7.62286 6.62087 0.022931 0.023508 -0.009976
4.60511 5.74329 8.41778 0.013878 -0.045419 -0.009805
12.92668 11.75537 13.63632 -0.000305 0.003501 0.000163
8.02117 10.55523 12.10517 -0.003666 0.005122 -0.003373
8.67556 7.71636 17.49570 0.004156 0.004134 -0.002579
11.47875 15.24589 6.91703 -0.002262 0.004073 0.000287
9.35972 16.97903 6.56192 -0.006683 0.013544 0.001173
11.03713 17.07922 2.67792 -0.003912 0.001074 0.002536
7.42775 12.08916 10.09180 -0.000366 0.002762 -0.001075
7.92017 14.83580 12.09082 0.001345 -0.001305 -0.001768
8.50905 1.48718 11.99359 -0.003239 0.000178 -0.010361
13.83892 16.58967 17.12637 0.002473 0.006907 -0.001568
14.18064 2.16404 1.76300 0.002038 0.006070 0.001258
0.22637 2.85420 3.74771 0.030976 0.021140 0.003224
13.55731 4.46328 4.56374 -0.004560 0.002805 -0.000842
13.93368 3.48067 13.12140 0.000944 0.003545 0.000738
14.29477 4.78199 0.25086 -0.001259 0.004437 0.002777
12.05112 9.01860 17.04503 0.000942 0.004030 0.002085
16.27694 10.80430 6.52497 -0.000079 0.007696 -0.001060
16.72250 7.84092 12.70809 -0.001459 0.000779 0.004397
0.08131 12.14367 13.72814 -0.001489 0.005745 0.001757
15.18747 8.06134 16.77823 -0.002287 0.004189 -0.001123
15.33129 0.80027 4.23469 -0.001757 0.000605 -0.003141
15.22283 14.74953 2.39790 0.002915 0.005326 -0.000365
11.52991 14.60593 10.60396 -0.002558 0.005496 0.001077
14.54913 0.08259 13.94141 -0.001795 0.003903 -0.000921
13.64918 15.17179 12.57877 -0.001337 0.004135 0.000207
14.26990 11.73639 16.04700 -0.002047 0.001012 -0.002288
2.83011 17.00291 0.89614 0.000155 0.010990 0.007530
5.01762 2.19884 4.72481 -0.013832 0.922145 -0.364566
2.72197 6.40768 4.52960 -0.708274 0.876990 0.631743
0.61592 0.85326 7.17988 0.035014 0.052409 -0.009113
1.05804 0.47662 10.87149 0.000870 0.001628 -0.001235
2.72869 6.02833 13.97220 -0.002413 0.005966 0.001420
6.27365 4.07474 13.21275 0.001094 0.001821 -0.005993
3.39789 2.54642 16.78232 -0.004654 -0.004988 0.015009
0.26647 0.03376 15.97352 0.001779 0.007660 0.002302
16.86896 8.04953 1.06168 0.004270 -0.001266 0.005469
5.26691 11.21282 3.35522 -0.024174 0.001154 0.008643
1.79651 10.63408 3.97172 0.004047 -0.013826 0.017632
4.24367 8.25477 13.91418 -0.000240 0.002403 0.005001
3.20146 7.72932 0.04071 -0.002479 0.019560 -0.017085
17.29565 11.52683 2.88643 -0.002665 0.011430 -0.001823
5.09458 17.34903 6.48077 -0.014953 0.048551 0.007010
16.80060 13.95067 9.04167 0.000908 0.003393 0.001298
5.65314 14.35380 13.49055 0.001228 0.006722 -0.002346
2.85103 14.37043 10.06567 -0.003151 0.011995 -0.004859
4.88020 0.46410 11.72901 0.001405 -0.000298 -0.009299
11.82432 3.49932 5.78478 0.003475 0.007188 -0.002782
6.33916 3.40343 0.25044 -0.005343 -0.001922 0.007458
9.59394 6.71839 4.41200 0.011007 0.006785 -0.005125
7.91802 4.38505 4.66043 0.008769 -0.040820 0.014429
8.23543 2.62518 6.58554 -0.033788 -0.020272 0.019153
6.41431 17.32071 8.88054 -0.021234 0.040792 -0.015349
11.14557 3.00954 10.98712 0.000165 0.006723 -0.000990
9.36027 3.86210 16.23230 0.001967 0.004418 -0.001639
7.53966 17.41529 0.94072 -0.005405 0.008854 0.004892
8.48774 8.36338 7.84778 -0.011430 0.005103 0.010511
5.72768 5.64505 7.08615 0.052435 -0.101780 0.065339
11.53162 12.14308 12.66419 0.001571 0.004564 -0.000707
7.77778 8.79967 12.01567 0.004345 0.002533 0.004348
7.67148 7.97660 16.05599 0.002503 0.005549 -0.002248
11.96712 14.11387 5.69832 0.003164 0.003255 0.001418
9.20674 0.45352 5.13285 -0.010029 0.000799 0.008379
12.42086 17.27854 3.71166 0.003215 0.002206 0.002500
5.72984 12.20671 9.71226 0.002097 0.004814 -0.000034
7.06651 14.59485 10.54611 -0.002756 0.012356 0.000322
8.18003 0.43236 13.34917 0.003054 0.004255 0.002204
12.13433 16.79403 17.35819 -0.001342 0.005068 -0.000404
12.47800 1.85419 1.86970 0.000315 0.004993 0.001402
16.61133 3.22326 2.47663 -0.030365 0.005039 0.015038
14.18380 5.80672 3.64923 -0.008510 0.007785 -0.001922
14.87276 2.50739 12.03337 0.001307 0.005864 -0.001319
14.23243 6.19147 1.27631 0.001736 0.002819 0.000278
12.93327 8.58137 1.02753 -0.001183 0.003430 -0.001130
0.31818 10.15222 5.96061 -0.002260 0.013644 0.007409
0.23893 8.66414 13.84372 -0.001086 0.003680 0.001344
17.08408 11.06555 14.99139 0.000431 0.002678 -0.000937
14.24371 8.22849 15.33189 0.000925 0.004760 0.001339
17.03243 0.72423 4.52831 0.011061 0.000922 0.010288
14.06257 14.70897 3.69175 -0.004096 0.005153 0.000884
11.55248 15.52990 9.11606 -0.000718 0.004588 0.001059
15.79992 0.71375 12.92180 0.001196 0.000829 -0.002939
14.66771 14.92743 11.20480 0.001510 0.005101 0.000035
13.59723 13.22883 15.45681 0.000716 0.004277 0.001411
0.28893 16.96969 9.61776 0.001325 0.008822 -0.002966
5.14861 8.79609 15.34428 -0.000436 0.007076 -0.006324
16.57887 10.76457 1.44815 0.002421 -0.003732 0.001091
3.32280 17.43531 6.45000 0.026346 0.043725 0.009527
7.22345 0.33037 16.74849 -0.004039 0.001912 -0.000961
8.80270 9.61454 10.81195 0.002743 0.005041 0.003323
8.32656 6.35754 16.39008 -0.003121 0.002504 0.002644
8.73549 15.20213 10.55252 -0.002134 0.009240 -0.000657
11.35757 7.84337 0.68199 0.003549 0.002602 -0.000517
17.07689 11.54135 5.11708 -0.002867 0.005946 0.005185
1.05898 4.30352 7.32607 -0.043730 0.101639 -0.025603
4.03509 12.56543 11.20951 -0.001826 -0.005370 -0.000313
2.98241 12.61908 2.99845 -0.000703 -0.011150 -0.001729
13.02951 6.77394 13.23542 0.000612 0.005541 0.001191
9.81405 10.04557 13.02717 -0.000599 0.001725 0.001158
14.38062 12.44509 3.83928 0.000724 -0.005287 0.000822
15.29130 12.60070 6.14349 -0.003279 -0.003724 0.001862
1.51212 12.17674 0.04632 -0.000138 -0.007122 -0.004001
5.20365 1.54821 15.21091 0.004263 0.007989 -0.002537
6.79297 14.20253 8.32851 -0.002778 -0.010448 -0.000400
11.61515 7.96197 6.76612 -0.005107 0.001645 0.001343
10.25461 10.96603 6.21744 0.004938 0.014734 0.002757
11.90891 11.26603 4.43245 -0.001050 0.011381 0.003748
8.53540 10.78259 3.48001 0.005075 0.005668 -0.001426
9.76681 9.93079 2.50215 0.000702 0.002204 -0.000311
8.80784 11.23977 1.76494 -0.000580 0.001043 0.000985
14.97448 6.01037 8.35394 -0.014020 -0.013817 0.016018
10.93413 4.83383 7.59381 -0.007672 -0.014329 0.000383
13.14865 5.92816 9.67432 -0.001946 -0.003881 0.006317
12.65000 8.06887 9.52187 0.000503 0.002251 0.002347
13.90414 8.18239 10.79823 -0.002084 0.001898 0.001722
12.16474 8.24325 11.23577 0.002385 0.001983 0.000105
5.27827 14.04824 2.20496 -0.005778 0.024616 0.004951
10.20084 2.92381 1.69633 0.003428 -0.003192 -0.003062
7.46833 14.00510 0.41146 0.000354 0.014481 0.004227
7.48179 15.39929 3.01468 -0.003485 0.015384 0.006407
8.41010 16.93048 3.00754 -0.011216 -0.002502 0.007511
8.99741 15.53505 2.05618 0.004745 0.000452 -0.000383
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 4 DIRECTION 2 : 0.054 2.345 -0.108
rigid augmentation : 0.000 0.196 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : 0.054 -1.851 -0.108
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 12/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 15( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258909; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258996; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01039874
-V(xc)+E(xc) XCENC = 0.02065035
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03038236
---------------------------------------------------
free energy TOTEN = -0.02013075 eV
energy without entropy = -0.02013075
----------------------------------------- Iteration 15( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258909; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258996; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.90178E+00 rms(broyden)= 0.90093E+00
rms(prec ) = 0.97568E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01039874
-V(xc)+E(xc) XCENC = 0.02065035
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01307738
---------------------------------------------------
free energy TOTEN = -0.00282577 eV
energy without entropy = -0.00282577
----------------------------------------- Iteration 15( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258862; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259042; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56060E+00 rms(broyden)= 0.56052E+00
rms(prec ) = 0.60935E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.5018
2.5018
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00958921
-V(xc)+E(xc) XCENC = 0.01772970
PAW double counting = 0.02079475 -0.02079650
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01327643
---------------------------------------------------
free energy TOTEN = -0.00513769 eV
energy without entropy = -0.00513769
----------------------------------------- Iteration 15( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258995; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258588; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10886E+00 rms(broyden)= 0.10872E+00
rms(prec ) = 0.13503E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9467
1.4525 2.4409
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00873059
-V(xc)+E(xc) XCENC = 0.01552586
PAW double counting = 0.14037780 -0.14038760
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373488
---------------------------------------------------
free energy TOTEN = -0.00694941 eV
energy without entropy = -0.00694941
----------------------------------------- Iteration 15( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258979; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258604; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.52158E-01 rms(broyden)= 0.52127E-01
rms(prec ) = 0.70009E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7792
2.6456 1.8791 0.8129
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00847269
-V(xc)+E(xc) XCENC = 0.01518590
PAW double counting = 0.15270678 -0.15271567
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01398337
---------------------------------------------------
free energy TOTEN = -0.00727905 eV
energy without entropy = -0.00727905
----------------------------------------- Iteration 15( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258967; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258509; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.25418E-01 rms(broyden)= 0.25404E-01
rms(prec ) = 0.37628E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7167
2.7206 2.0757 1.1831 0.8875
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00838902
-V(xc)+E(xc) XCENC = 0.01510725
PAW double counting = 0.16237301 -0.16238211
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01405866
---------------------------------------------------
free energy TOTEN = -0.00734953 eV
energy without entropy = -0.00734953
----------------------------------------- Iteration 15( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258961; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258515; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12602E-01 rms(broyden)= 0.12595E-01
rms(prec ) = 0.20766E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8043
3.1588 2.4091 1.5876 0.9331 0.9331
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00838586
-V(xc)+E(xc) XCENC = 0.01515183
PAW double counting = 0.16215437 -0.16216345
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01407065
---------------------------------------------------
free energy TOTEN = -0.00731375 eV
energy without entropy = -0.00731375
----------------------------------------- Iteration 15( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258954; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258522; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.59223E-02 rms(broyden)= 0.59157E-02
rms(prec ) = 0.95292E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8691
3.5243 2.5621 1.9755 1.2959 0.9284 0.9284
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00837219
-V(xc)+E(xc) XCENC = 0.01519949
PAW double counting = 0.16175087 -0.16175991
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01409565
---------------------------------------------------
free energy TOTEN = -0.00727740 eV
energy without entropy = -0.00727740
----------------------------------------- Iteration 15( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258526; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.29755E-02 rms(broyden)= 0.29700E-02
rms(prec ) = 0.42369E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9123
4.0909 2.5201 2.2584 1.5353 1.0533 1.0533 0.8751
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836678
-V(xc)+E(xc) XCENC = 0.01522143
PAW double counting = 0.16102684 -0.16103587
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01410822
---------------------------------------------------
free energy TOTEN = -0.00726260 eV
energy without entropy = -0.00726260
----------------------------------------- Iteration 15( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258949; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258527; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11572E-02 rms(broyden)= 0.11547E-02
rms(prec ) = 0.18121E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9682
4.6922 2.8211 2.4691 1.7531 1.1875 0.9887 0.9887 0.8450
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836526
-V(xc)+E(xc) XCENC = 0.01522192
PAW double counting = 0.16108893 -0.16109797
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01411573
---------------------------------------------------
free energy TOTEN = -0.00726812 eV
energy without entropy = -0.00726812
----------------------------------------- Iteration 15( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258948; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258528; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56267E-03 rms(broyden)= 0.56165E-03
rms(prec ) = 0.85974E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9770
4.7386 3.0385 2.3929 2.0438 1.6255 1.0805 1.0805 0.9439 0.8486
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836466
-V(xc)+E(xc) XCENC = 0.01522136
PAW double counting = 0.16106415 -0.16107321
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01412064
---------------------------------------------------
free energy TOTEN = -0.00727300 eV
energy without entropy = -0.00727300
----------------------------------------- Iteration 15( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258948; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258528; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.23907E-03 rms(broyden)= 0.23865E-03
rms(prec ) = 0.37834E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0039
5.0669 3.2848 2.6748 2.2621 1.7089 1.1008 1.0769 1.0769 0.9435 0.8434
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836463
-V(xc)+E(xc) XCENC = 0.01522038
PAW double counting = 0.16108145 -0.16109047
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01412254
---------------------------------------------------
free energy TOTEN = -0.00727581 eV
energy without entropy = -0.00727581
----------------------------------------- Iteration 15( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258948; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258528; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10948E-03 rms(broyden)= 0.10927E-03
rms(prec ) = 0.17080E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0217
5.2336 3.6936 2.7633 2.3668 1.8369 1.4735 1.0714 1.0714 1.0041 0.8836
0.8401
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836469
-V(xc)+E(xc) XCENC = 0.01521994
PAW double counting = 0.16111466 -0.16112368
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01412313
---------------------------------------------------
free energy TOTEN = -0.00727691 eV
energy without entropy = -0.00727691
----------------------------------------- Iteration 15( 14) ---------------------------------------
BZINTS: Fermi energy: 0.258948; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258528; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54862E-04 rms(broyden)= 0.54769E-04
rms(prec ) = 0.81558E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0130
5.2397 3.9542 2.7468 2.5808 2.0094 1.6847 1.1428 1.1428 0.9905 0.9905
0.8706 0.8036
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00836486
-V(xc)+E(xc) XCENC = 0.01522001
PAW double counting = 0.16110722 -0.16111624
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01412351
---------------------------------------------------
free energy TOTEN = -0.00727738 eV
energy without entropy = -0.00727738
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0576 0.00000
5 -0.1478 0.00000
6 -0.0661 0.00000
7 -0.0372 0.00000
8 -0.0290 0.00000
9 -0.1241 0.00000
10 -0.1144 0.00000
11 0.0122 0.00000
12 -0.0935 0.00000
13 0.1491 0.00000
14 0.0103 0.00000
15 -0.2161 0.00000
16 -0.0106 0.00000
17 0.0345 0.00000
18 -0.0869 0.00000
19 0.0765 0.00000
20 0.1832 0.00000
21 -0.0431 0.00000
22 0.0490 0.00000
23 0.0084 0.00000
24 0.0206 0.00000
25 -0.0008 0.00000
26 0.7094 0.00000
27 0.8300 0.00000
28 -0.1825 0.00000
29 0.0074 0.00000
30 0.7086 0.00000
31 -0.0460 0.00000
32 -0.1913 0.00000
33 -0.0157 0.00000
34 -0.0136 0.00000
35 -0.0257 0.00000
36 -0.1153 0.00000
37 -0.1843 0.00000
38 -0.1900 0.00000
39 -0.0677 0.00000
40 -0.0246 0.00000
41 -0.2950 0.00000
42 -0.0106 0.00000
43 -0.0262 0.00000
44 1.8699 0.00000
45 0.0007 0.00000
46 0.0323 0.00000
47 0.1511 0.00000
48 -0.0944 0.00000
49 -0.0007 0.00000
50 0.0529 0.00000
51 0.0119 0.00000
52 -0.0985 0.00000
53 0.0316 0.00000
54 -0.0808 0.00000
55 -0.0604 0.00000
56 0.0684 0.00000
57 0.1911 0.00000
58 -0.2007 0.00000
59 -0.1491 0.00000
60 0.5786 0.00000
61 0.0150 0.00000
62 0.8343 0.00000
63 -0.0457 0.00000
64 -0.0599 0.00000
65 -0.1872 0.00000
66 0.8092 0.00000
67 0.1398 0.00000
68 -0.1777 0.00000
69 -0.0838 0.00000
70 -0.0947 0.00000
71 -0.0195 0.00000
72 -0.0056 0.00000
73 -0.0598 0.00000
74 -0.1144 0.00000
75 0.2537 0.00000
76 0.1694 0.00000
77 0.1778 0.00000
78 -0.1153 0.00000
79 0.8032 0.00000
80 0.0724 0.00000
81 2.0023 0.00000
82 0.0262 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0087 0.00000
90 0.0435 0.00000
91 0.1908 0.00000
92 -0.0337 0.00000
93 0.1763 0.00000
94 0.1027 0.00000
95 0.0600 0.00000
96 0.1226 0.00000
97 0.0649 0.00000
98 -0.5014 0.00000
99 -0.5977 0.00000
100 0.0240 0.00000
101 -0.7388 0.00000
102 -0.0781 0.00000
103 -0.2656 0.00000
104 -0.0336 0.00000
105 -0.0278 0.00000
106 0.0808 0.00000
107 0.0727 0.00000
108 0.2595 0.00000
109 0.0216 0.00000
110 0.0021 0.00000
111 0.0681 0.00000
112 -0.1275 0.00000
113 0.0529 0.00000
114 -0.4807 0.00000
115 -0.1045 0.00000
116 -0.0387 0.00000
117 -0.4708 0.00000
118 0.0650 0.00000
119 -0.0691 0.00000
120 0.0433 0.00000
121 0.0038 0.00000
122 -0.0750 0.00000
123 0.1461 0.00000
124 0.1190 0.00000
125 -0.0360 0.00000
126 -0.6001 0.00000
127 0.0391 0.00000
128 -0.0860 0.00000
129 0.0880 0.00000
130 -0.0460 0.00000
131 -0.0850 0.00000
132 0.1308 0.00000
133 0.0890 0.00000
134 -0.1546 0.00000
135 -0.0011 0.00000
136 -0.1984 0.00000
137 0.0701 0.00000
138 -1.2103 0.00000
139 0.0613 0.00000
140 0.0523 0.00000
141 0.0988 0.00000
142 0.0832 0.00000
143 0.0966 0.00000
144 0.0930 0.00000
145 0.0932 0.00000
146 0.1153 0.00000
147 0.0355 0.00000
148 -0.0145 0.00000
149 -0.1539 0.00000
150 0.0033 0.00000
151 -0.0882 0.00000
152 -0.0592 0.00000
153 -0.0471 0.00000
154 -0.0756 0.00000
155 0.0799 0.00000
156 -0.0614 0.00000
157 0.0028 0.00000
158 0.8752 0.00000
159 0.1220 0.00000
160 0.0991 0.00000
161 0.0124 0.00000
162 -0.0100 0.00000
163 0.0625 0.00000
164 -0.2303 0.00000
165 0.0263 0.00000
166 0.0819 0.00000
167 -0.0395 0.00000
168 0.3094 0.00000
169 0.1186 0.00000
170 -0.0952 0.00000
171 -0.0986 0.00000
172 0.0707 0.00000
173 0.0701 0.00000
174 -0.0370 0.00000
175 0.0039 0.00000
176 -0.0350 0.00000
177 0.4167 0.00000
178 -0.0974 0.00000
179 -0.0243 0.00000
180 0.2146 0.00000
181 0.1049 0.00000
182 -0.0016 0.00000
183 0.0227 0.00000
184 0.2765 0.00000
185 0.2293 0.00000
186 0.0407 0.00000
187 -0.0379 0.00000
188 0.0402 0.00000
189 0.0920 0.00000
190 -0.0531 0.00000
191 0.0144 0.00000
192 0.0012 0.00000
193 0.0545 0.00000
194 -0.1918 0.00000
195 0.1868 0.00000
196 0.2088 0.00000
197 0.4028 0.00000
198 -0.0480 0.00000
199 -0.0635 0.00000
200 0.0495 0.00000
201 -0.0055 0.00000
202 0.0573 0.00000
203 0.2963 0.00000
204 0.3854 0.00000
205 -0.0212 0.00000
206 -0.0571 0.00000
207 -0.0024 0.00000
208 -0.0437 0.00000
209 0.0150 0.00000
210 -0.0528 0.00000
211 -0.0309 0.00000
212 0.0961 0.00000
213 0.0005 0.00000
214 -0.0296 0.00000
215 -0.0393 0.00000
216 0.6239 0.00000
217 0.2566 0.00000
218 0.0459 0.00000
219 0.0260 0.00000
220 0.0367 0.00000
221 -0.1470 0.00000
222 -0.0432 0.00000
223 0.0177 0.00000
224 -0.0442 0.00000
225 0.0299 0.00000
226 0.0475 0.00000
227 0.3366 0.00000
228 -0.0202 0.00000
229 -0.0236 0.00000
230 -0.0756 0.00000
231 -0.0227 0.00000
232 0.2233 0.00000
233 0.2079 0.00000
234 0.2126 0.00000
235 0.0545 0.00000
236 0.0300 0.00000
237 0.0240 0.00000
238 0.0749 0.00000
239 0.0246 0.00000
240 0.1798 0.00000
241 0.0289 0.00000
242 -0.0119 0.00000
243 0.0390 0.00000
244 -0.0897 0.00000
245 -0.0853 0.00000
246 -0.0473 0.00000
247 -0.1249 0.00000
248 -0.0662 0.00000
249 -0.0275 0.00000
250 -0.0688 0.00000
251 0.0779 0.00000
252 -0.0443 0.00000
253 -0.0944 0.00000
254 0.0263 0.00000
255 -0.1278 0.00000
256 -0.0329 0.00000
257 -0.0866 0.00000
258 -0.0031 0.00000
259 -0.0283 0.00000
260 -0.0678 0.00000
261 -0.0019 0.00000
262 -0.0053 0.00000
263 -0.0016 0.00000
264 0.0079 0.00000
265 -0.0667 0.00000
266 -0.0178 0.00000
267 0.0811 0.00000
268 0.0210 0.00000
269 -0.1782 0.00000
270 -0.0249 0.00000
271 -0.0204 0.00000
272 -0.0021 0.00000
273 -0.0812 0.00000
274 -0.1003 0.00000
275 -0.0724 0.00000
276 -0.0752 0.00000
277 -0.0327 0.00000
278 0.2683 0.00000
279 -0.0335 0.00000
280 -0.0414 0.00000
281 -0.0195 0.00000
282 0.0385 0.00000
283 -0.0285 0.00000
284 -0.2256 0.00000
285 -0.0566 0.00000
286 -0.0005 0.00000
287 -0.0435 0.00000
288 -0.0125 0.00000
289 0.0151 0.00000
290 -0.0033 0.00000
291 -0.1630 0.00000
292 -0.1360 0.00000
293 -0.1298 0.00000
294 -0.0522 0.00000
295 0.0191 0.00000
296 0.0580 0.00000
297 -0.0081 0.00000
298 -0.1315 0.00000
299 0.0397 0.00000
300 -0.0266 0.00000
301 -0.0117 0.00000
302 -0.0366 0.00000
303 0.0107 0.00000
304 -0.0953 0.00000
305 -0.0379 0.00000
306 -0.0722 0.00000
307 -0.0640 0.00000
308 -0.1206 0.00000
309 0.1048 0.00000
310 -0.0345 0.00000
311 -0.1911 0.00000
312 0.0235 0.00000
313 0.0936 0.00000
314 0.0028 0.00000
315 0.0124 0.00000
316 -0.0349 0.00000
317 -0.0452 0.00000
318 -0.0161 0.00000
319 0.0039 0.00000
320 -0.0667 0.00000
321 0.0569 0.00000
322 -0.1773 0.00000
323 0.0319 0.00000
324 -0.0040 0.00000
325 0.0336 0.00000
326 0.0039 0.00000
327 -0.0448 0.00000
328 0.0044 0.00000
329 0.0170 0.00000
330 0.0541 0.00000
331 -0.0291 0.00000
332 -0.0487 0.00000
333 0.0056 0.00000
334 0.0174 0.00000
335 -0.0430 0.00000
336 -0.0925 0.00000
337 0.0306 0.00000
338 0.0316 0.00000
339 -0.1638 0.00000
340 0.0063 0.00000
341 -0.0456 0.00000
342 0.0106 0.00000
343 0.0101 0.00000
344 -0.0670 0.00000
345 0.0630 0.00000
346 -0.0491 0.00000
347 -0.0951 0.00000
348 -0.0009 0.00000
349 -0.0488 0.00000
350 -0.0418 0.00000
351 0.0358 0.00000
352 -0.0487 0.00000
353 -0.0427 0.00000
354 0.0864 0.00000
355 0.0600 0.00000
356 -0.0546 0.00000
357 0.0353 0.00000
358 -0.0204 0.00000
359 -0.0428 0.00000
360 -0.0340 0.00000
361 -0.0442 0.00000
362 0.0289 0.00000
363 -0.0133 0.00000
364 0.0307 0.00000
365 -0.1053 0.00000
366 0.0268 0.00000
367 0.0783 0.00000
368 0.0448 0.00000
369 -0.0803 0.00000
370 -0.0182 0.00000
371 -0.0211 0.00000
372 0.0415 0.00000
373 -0.0244 0.00000
374 0.0559 0.00000
375 -0.0174 0.00000
376 0.0852 0.00000
377 0.0219 0.00000
378 -0.0042 0.00000
379 0.1189 0.00000
380 0.0000 0.00000
381 -0.0848 0.00000
382 0.0453 0.00000
383 0.1092 0.00000
384 0.0256 0.00000
385 0.0196 0.00000
386 0.0017 0.00000
387 0.1140 0.00000
388 0.0000 0.00000
389 0.1073 0.00000
390 0.0079 0.00000
391 -0.0533 0.00000
392 -0.1146 0.00000
393 -0.0428 0.00000
394 0.0167 0.00000
395 -0.0175 0.00000
396 0.0019 0.00000
397 0.0346 0.00000
398 -0.0250 0.00000
399 0.0430 0.00000
400 -0.0568 0.00000
401 -0.0440 0.00000
402 -0.0050 0.00000
403 -0.0642 0.00000
404 0.0216 0.00000
405 0.0318 0.00000
406 -0.0258 0.00000
407 -0.1726 0.00000
408 0.0215 0.00000
409 0.0028 0.00000
410 0.0651 0.00000
411 -0.0001 0.00000
412 -0.0193 0.00000
413 -0.0148 0.00000
414 0.0429 0.00000
415 -0.0179 0.00000
416 0.0790 0.00000
417 0.0353 0.00000
418 0.0275 0.00000
419 0.0502 0.00000
420 -0.0099 0.00000
421 0.0321 0.00000
422 0.0061 0.00000
423 0.0650 0.00000
424 0.0295 0.00000
425 0.0191 0.00000
426 0.0142 0.00000
427 0.0821 0.00000
428 0.0391 0.00000
429 -0.0120 0.00000
430 0.1526 0.00000
431 0.0248 0.00000
432 -0.0261 0.00000
433 0.0757 0.00000
434 0.0756 0.00000
435 0.0588 0.00000
436 0.0394 0.00000
437 -0.0042 0.00000
438 0.0666 0.00000
439 0.0284 0.00000
440 0.0282 0.00000
441 0.0399 0.00000
442 -0.0056 0.00000
443 0.0057 0.00000
444 0.0147 0.00000
445 -0.0094 0.00000
446 0.0625 0.00000
447 0.0250 0.00000
448 0.1095 0.00000
449 0.0917 0.00000
450 0.0694 0.00000
451 0.0602 0.00000
452 0.0313 0.00000
453 0.1641 0.00000
454 0.1357 0.00000
455 0.0667 0.00000
456 0.0007 0.00000
457 0.0601 0.00000
458 -0.0348 0.00000
459 0.1431 0.00000
460 -0.0561 0.00000
461 0.0146 0.00000
462 -0.0835 0.00000
463 -0.0121 0.00000
464 0.1337 0.00000
465 -0.0534 0.00000
466 -0.0272 0.00000
467 -0.0003 0.00000
468 0.0774 0.00000
469 0.1145 0.00000
470 0.0609 0.00000
471 -0.0083 0.00000
472 0.1812 0.00000
473 0.1394 0.00000
474 0.0476 0.00000
475 0.0773 0.00000
476 0.0799 0.00000
477 0.0791 0.00000
478 0.1152 0.00000
479 -0.0679 0.00000
480 0.1253 0.00000
481 0.0243 0.00000
482 -0.0152 0.00000
483 0.0885 0.00000
484 0.0511 0.00000
485 -0.0035 0.00000
486 -0.0328 0.00000
487 -0.0518 0.00000
488 -0.0110 0.00000
489 -0.0304 0.00000
490 0.0214 0.00000
491 0.3162 0.00000
492 0.0439 0.00000
493 0.0923 0.00000
494 0.1929 0.00000
495 -0.0310 0.00000
496 0.0606 0.00000
497 0.0902 0.00000
498 -0.0109 0.00000
499 0.0137 0.00000
500 -0.0207 0.00000
501 -0.0232 0.00000
502 0.0007 0.00000
503 -0.0580 0.00000
504 0.0082 0.00000
505 -0.0360 0.00000
506 0.0479 0.00000
507 0.1200 0.00000
508 0.0187 0.00000
509 0.0505 0.00000
510 0.0001 0.00000
511 0.1751 0.00000
512 0.0578 0.00000
513 -0.0442 0.00000
514 0.0381 0.00000
515 0.1106 0.00000
516 0.1664 0.00000
517 0.0901 0.00000
518 0.0164 0.00000
519 0.0083 0.00000
520 0.0471 0.00000
521 -0.0096 0.00000
522 -0.0813 0.00000
523 -0.1022 0.00000
524 0.0062 0.00000
525 0.0080 0.00000
526 -0.1103 0.00000
527 0.1118 0.00000
528 0.0058 0.00000
529 0.0729 0.00000
530 -0.0214 0.00000
531 -0.0451 0.00000
532 -0.1789 0.00000
533 0.2465 0.00000
534 0.1025 0.00000
535 0.0538 0.00000
536 -0.0449 0.00000
537 -0.1966 0.00000
538 0.0500 0.00000
539 -0.0393 0.00000
540 0.0201 0.00000
541 -0.0087 0.00000
542 -0.0960 0.00000
543 -0.0301 0.00000
544 0.2809 0.00000
545 0.0260 0.00000
546 -0.0459 0.00000
547 0.0050 0.00000
548 0.0595 0.00000
549 -0.0612 0.00000
550 -0.0072 0.00000
551 0.0323 0.00000
552 0.0015 0.00000
553 -0.0259 0.00000
554 0.0269 0.00000
555 0.0626 0.00000
556 -0.0219 0.00000
557 -0.0111 0.00000
558 0.0051 0.00000
559 0.0855 0.00000
560 -0.0845 0.00000
561 0.0597 0.00000
562 -0.0038 0.00000
563 0.0128 0.00000
564 -0.0346 0.00000
565 0.0366 0.00000
566 -0.0414 0.00000
567 -0.1757 0.00000
568 0.0865 0.00000
569 0.1388 0.00000
570 0.1157 0.00000
571 0.0038 0.00000
572 0.0062 0.00000
573 0.1205 0.00000
574 0.1246 0.00000
575 0.0233 0.00000
576 -0.0280 0.00000
577 0.0648 0.00000
578 0.0881 0.00000
579 -0.2238 0.00000
580 0.0597 0.00000
581 0.0495 0.00000
582 0.0271 0.00000
583 -0.1202 0.00000
584 -0.2601 0.00000
585 -0.1764 0.00000
586 -0.1047 0.00000
587 0.0045 0.00000
588 0.0296 0.00000
589 -0.0003 0.00000
590 0.1157 0.00000
591 0.0479 0.00000
592 0.0423 0.00000
593 0.0465 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0012 0.00000
597 -0.0043 0.00000
598 -0.0590 0.00000
599 -0.0170 0.00000
600 -0.0226 0.00000
601 -0.0253 0.00000
602 -0.0884 0.00000
603 0.0259 0.00000
604 0.0028 0.00000
605 -0.0545 0.00000
606 -0.0097 0.00000
607 -0.0452 0.00000
608 0.0517 0.00000
609 -0.0699 0.00000
610 0.0171 0.00000
611 -0.0837 0.00000
612 0.0725 0.00000
613 -0.0435 0.00000
614 -0.0145 0.00000
615 0.0081 0.00000
616 -0.0229 0.00000
617 0.0289 0.00000
618 -0.0264 0.00000
619 0.0071 0.00000
620 -0.0911 0.00000
621 0.0135 0.00000
622 -0.0513 0.00000
623 0.0346 0.00000
624 0.0196 0.00000
625 -0.0083 0.00000
626 0.0164 0.00000
627 -0.1566 0.00000
628 0.0117 0.00000
629 0.0043 0.00000
630 -0.0364 0.00000
631 -0.0666 0.00000
632 0.0209 0.00000
633 -0.0542 0.00000
634 0.0601 0.00000
635 -0.0383 0.00000
636 -0.0462 0.00000
637 -0.0406 0.00000
638 -0.0616 0.00000
639 0.0327 0.00000
640 -0.1957 0.00000
641 -0.0125 0.00000
642 -0.0510 0.00000
643 -0.0486 0.00000
644 -0.0024 0.00000
645 0.0151 0.00000
646 -0.0160 0.00000
647 -0.0153 0.00000
648 -0.0304 0.00000
649 -0.0160 0.00000
650 0.0117 0.00000
651 -0.0488 0.00000
652 0.0112 0.00000
653 0.0042 0.00000
654 -0.0123 0.00000
655 -0.0622 0.00000
656 -0.0661 0.00000
657 0.0187 0.00000
658 -0.0146 0.00000
659 -0.0470 0.00000
660 -0.0173 0.00000
661 0.0475 0.00000
662 0.0159 0.00000
663 -0.0846 0.00000
664 -0.0201 0.00000
665 -0.0563 0.00000
666 -0.0843 0.00000
667 0.0850 0.00000
668 -0.0012 0.00000
669 0.0037 0.00000
670 -0.0469 0.00000
671 0.0148 0.00000
672 0.0097 0.00000
673 -0.0698 0.00000
674 -0.0378 0.00000
675 0.0465 0.00000
676 0.0176 0.00000
677 0.0308 0.00000
678 -0.0423 0.00000
679 0.0178 0.00000
680 0.0275 0.00000
681 0.0292 0.00000
682 -0.0048 0.00000
683 0.0609 0.00000
684 0.0160 0.00000
685 0.0514 0.00000
686 0.0348 0.00000
687 -0.1195 0.00000
688 -0.0329 0.00000
689 -0.0001 0.00000
690 -0.0133 0.00000
691 -0.0095 0.00000
692 -0.1271 0.00000
693 0.0166 0.00000
694 0.0075 0.00000
695 -0.1175 0.00000
696 -0.0493 0.00000
697 -0.0295 0.00000
698 0.0155 0.00000
699 -0.0427 0.00000
700 0.0129 0.00000
701 -0.0021 0.00000
702 -0.0307 0.00000
703 -0.0330 0.00000
704 -0.0458 0.00000
705 -0.0019 0.00000
706 -0.0539 0.00000
707 -0.0293 0.00000
708 -0.1195 0.00000
709 0.0118 0.00000
710 -0.0906 0.00000
711 -0.0011 0.00000
712 0.0237 0.00000
713 0.0700 0.00000
714 -0.0334 0.00000
715 0.0219 0.00000
716 -0.0628 0.00000
717 -0.0111 0.00000
718 0.0192 0.00000
719 0.0262 0.00000
720 -0.0514 0.00000
721 0.0015 0.00000
722 0.0288 0.00000
723 -0.0114 0.00000
724 0.0570 0.00000
725 -0.0278 0.00000
726 -0.0909 0.00000
727 -0.0817 0.00000
728 -0.0249 0.00000
729 -0.0414 0.00000
730 -0.0610 0.00000
731 -0.0160 0.00000
732 -0.0476 0.00000
733 -0.0777 0.00000
734 0.0117 0.00000
735 -0.0161 0.00000
736 -0.0949 0.00000
737 -0.0219 0.00000
738 -0.0176 0.00000
739 0.0449 0.00000
740 -0.0051 0.00000
741 0.0901 0.00000
742 -0.0568 0.00000
743 0.0080 0.00000
744 0.0309 0.00000
745 0.0378 0.00000
746 0.0283 0.00000
747 -0.0443 0.00000
748 -0.0217 0.00000
749 -0.0230 0.00000
750 0.0126 0.00000
751 0.0523 0.00000
752 -0.0667 0.00000
753 -0.0387 0.00000
754 -0.0177 0.00000
755 -0.0609 0.00000
756 0.0096 0.00000
757 0.0535 0.00000
758 -0.0373 0.00000
759 -0.0229 0.00000
760 -0.0150 0.00000
761 0.0251 0.00000
762 -0.0337 0.00000
763 0.0084 0.00000
764 0.0012 0.00000
765 0.0324 0.00000
766 -0.0180 0.00000
767 -0.0047 0.00000
768 0.0141 0.00000
769 -0.0363 0.00000
770 0.0056 0.00000
771 0.0070 0.00000
772 0.0100 0.00000
773 -0.0259 0.00000
774 -0.0217 0.00000
775 -0.0173 0.00000
776 -0.1292 0.00000
777 0.0258 0.00000
778 -0.0139 0.00000
779 -0.0422 0.00000
780 -0.0010 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0546 0.00000
5 -0.1509 0.00000
6 -0.0663 0.00000
7 -0.0366 0.00000
8 -0.0296 0.00000
9 -0.1249 0.00000
10 -0.1132 0.00000
11 0.0123 0.00000
12 -0.0938 0.00000
13 0.1490 0.00000
14 0.0104 0.00000
15 -0.2158 0.00000
16 -0.0099 0.00000
17 0.0378 0.00000
18 -0.0942 0.00000
19 0.0765 0.00000
20 0.1918 0.00000
21 -0.0428 0.00000
22 0.0493 0.00000
23 0.0076 0.00000
24 0.0165 0.00000
25 -0.0675 0.00000
26 1.1172 0.00000
27 0.4774 0.00000
28 -0.1917 0.00000
29 0.1449 0.00000
30 0.6454 0.00000
31 -0.0995 0.00000
32 -0.1956 0.00000
33 -0.0162 0.00000
34 -0.0144 0.00000
35 -0.0258 0.00000
36 -0.1112 0.00000
37 -0.1852 0.00000
38 -0.1887 0.00000
39 -0.0624 0.00000
40 -0.0253 0.00000
41 -0.3106 0.00000
42 0.1587 0.00000
43 -0.0167 0.00000
44 1.8756 0.00000
45 -0.1476 0.00000
46 -0.0587 0.00000
47 0.2116 0.00000
48 -0.0986 0.00000
49 0.0635 0.00000
50 0.0046 0.00000
51 -0.0013 0.00000
52 -0.0987 0.00000
53 0.0354 0.00000
54 -0.0344 0.00000
55 -0.1096 0.00000
56 0.0725 0.00000
57 0.1858 0.00000
58 -0.1893 0.00000
59 -0.1089 0.00000
60 0.5307 0.00000
61 0.2648 0.00000
62 0.2611 0.00000
63 0.1728 0.00000
64 0.0583 0.00000
65 -0.0641 0.00000
66 0.6562 0.00000
67 -0.1321 0.00000
68 0.1211 0.00000
69 -0.0951 0.00000
70 -0.0381 0.00000
71 -0.0758 0.00000
72 -0.0053 0.00000
73 -0.0540 0.00000
74 -0.0901 0.00000
75 0.3320 0.00000
76 0.0757 0.00000
77 0.1543 0.00000
78 -0.1850 0.00000
79 0.8865 0.00000
80 0.0728 0.00000
81 2.0018 0.00000
82 0.0255 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0073 0.00000
90 0.0423 0.00000
91 0.1512 0.00000
92 -0.0008 0.00000
93 0.1775 0.00000
94 0.1248 0.00000
95 0.1079 0.00000
96 0.0162 0.00000
97 0.0385 0.00000
98 -0.6448 0.00000
99 -0.4189 0.00000
100 -0.0326 0.00000
101 -0.6247 0.00000
102 -0.0675 0.00000
103 -0.3738 0.00000
104 0.0431 0.00000
105 0.0070 0.00000
106 0.0656 0.00000
107 0.0404 0.00000
108 0.2510 0.00000
109 0.0519 0.00000
110 -0.0300 0.00000
111 0.0676 0.00000
112 -0.1144 0.00000
113 0.0489 0.00000
114 -0.6054 0.00000
115 0.0039 0.00000
116 0.0016 0.00000
117 -0.4813 0.00000
118 0.0740 0.00000
119 -0.0897 0.00000
120 0.0414 0.00000
121 0.0169 0.00000
122 -0.0815 0.00000
123 0.0989 0.00000
124 0.1665 0.00000
125 -0.0270 0.00000
126 -0.5994 0.00000
127 0.0770 0.00000
128 -0.0849 0.00000
129 0.1019 0.00000
130 -0.1665 0.00000
131 -0.0923 0.00000
132 0.1908 0.00000
133 0.0929 0.00000
134 -0.1455 0.00000
135 -0.0015 0.00000
136 -0.1954 0.00000
137 0.1140 0.00000
138 -1.2503 0.00000
139 0.0413 0.00000
140 0.0717 0.00000
141 0.0875 0.00000
142 0.0846 0.00000
143 0.0967 0.00000
144 0.0929 0.00000
145 0.0946 0.00000
146 0.1158 0.00000
147 0.0339 0.00000
148 0.0012 0.00000
149 -0.1676 0.00000
150 -0.0008 0.00000
151 -0.0918 0.00000
152 -0.0633 0.00000
153 -0.0348 0.00000
154 -0.0830 0.00000
155 0.0718 0.00000
156 -0.0153 0.00000
157 0.1806 0.00000
158 0.1763 0.00000
159 0.2368 0.00000
160 0.5230 0.00000
161 0.0646 0.00000
162 0.0257 0.00000
163 -0.1611 0.00000
164 -0.1425 0.00000
165 0.0740 0.00000
166 -0.0709 0.00000
167 -0.0265 0.00000
168 0.2577 0.00000
169 0.0690 0.00000
170 0.0702 0.00000
171 0.0159 0.00000
172 -0.0055 0.00000
173 0.0484 0.00000
174 -0.0528 0.00000
175 0.0666 0.00000
176 0.0548 0.00000
177 0.0173 0.00000
178 0.2453 0.00000
179 -0.0665 0.00000
180 0.3193 0.00000
181 0.0125 0.00000
182 0.0808 0.00000
183 0.0779 0.00000
184 0.1260 0.00000
185 0.2655 0.00000
186 0.1272 0.00000
187 -0.0450 0.00000
188 -0.1319 0.00000
189 0.0163 0.00000
190 0.0057 0.00000
191 0.0168 0.00000
192 0.0159 0.00000
193 -0.1205 0.00000
194 0.0300 0.00000
195 0.2482 0.00000
196 0.1877 0.00000
197 -0.0294 0.00000
198 0.3535 0.00000
199 -0.0575 0.00000
200 0.0625 0.00000
201 0.1002 0.00000
202 -0.0081 0.00000
203 0.2305 0.00000
204 0.0823 0.00000
205 -0.0265 0.00000
206 0.0920 0.00000
207 0.1551 0.00000
208 0.0129 0.00000
209 -0.0900 0.00000
210 -0.0556 0.00000
211 0.0676 0.00000
212 0.0376 0.00000
213 -0.0415 0.00000
214 -0.0179 0.00000
215 -0.0048 0.00000
216 0.0239 0.00000
217 0.8402 0.00000
218 0.0530 0.00000
219 -0.1457 0.00000
220 0.0048 0.00000
221 0.1345 0.00000
222 -0.0270 0.00000
223 -0.1099 0.00000
224 -0.0405 0.00000
225 0.4888 0.00000
226 -0.2409 0.00000
227 0.2088 0.00000
228 -0.0263 0.00000
229 -0.0349 0.00000
230 -0.0709 0.00000
231 -0.0227 0.00000
232 0.2697 0.00000
233 0.1673 0.00000
234 0.1917 0.00000
235 0.0575 0.00000
236 0.0642 0.00000
237 0.0237 0.00000
238 0.0199 0.00000
239 0.0068 0.00000
240 0.1708 0.00000
241 0.0951 0.00000
242 -0.0005 0.00000
243 0.0280 0.00000
244 -0.0872 0.00000
245 -0.1189 0.00000
246 0.0129 0.00000
247 -0.0613 0.00000
248 -0.2855 0.00000
249 0.0166 0.00000
250 0.0030 0.00000
251 -0.0247 0.00000
252 0.1681 0.00000
253 -0.2046 0.00000
254 -0.0480 0.00000
255 0.0063 0.00000
256 -0.0533 0.00000
257 -0.0214 0.00000
258 -0.0149 0.00000
259 -0.0884 0.00000
260 -0.0527 0.00000
261 -0.0090 0.00000
262 0.0428 0.00000
263 -0.1802 0.00000
264 -0.0247 0.00000
265 -0.0120 0.00000
266 0.0723 0.00000
267 0.0247 0.00000
268 0.0283 0.00000
269 -0.0468 0.00000
270 -0.0636 0.00000
271 -0.0079 0.00000
272 -0.0646 0.00000
273 0.0022 0.00000
274 -0.1572 0.00000
275 -0.1021 0.00000
276 -0.2234 0.00000
277 -0.0448 0.00000
278 0.0043 0.00000
279 0.1984 0.00000
280 -0.0800 0.00000
281 -0.0305 0.00000
282 0.0716 0.00000
283 0.0469 0.00000
284 -0.1017 0.00000
285 -0.0279 0.00000
286 -0.0480 0.00000
287 0.0248 0.00000
288 0.0250 0.00000
289 -0.0849 0.00000
290 -0.0691 0.00000
291 -0.1322 0.00000
292 0.0228 0.00000
293 -0.0012 0.00000
294 -0.1275 0.00000
295 -0.1490 0.00000
296 -0.0149 0.00000
297 -0.0265 0.00000
298 0.0589 0.00000
299 -0.0346 0.00000
300 -0.0558 0.00000
301 0.0002 0.00000
302 0.0322 0.00000
303 -0.0028 0.00000
304 -0.1230 0.00000
305 -0.0581 0.00000
306 -0.1450 0.00000
307 -0.0077 0.00000
308 0.0191 0.00000
309 0.0586 0.00000
310 -0.0699 0.00000
311 -0.0841 0.00000
312 -0.0211 0.00000
313 0.0494 0.00000
314 0.1164 0.00000
315 0.0042 0.00000
316 -0.1208 0.00000
317 -0.0096 0.00000
318 -0.1135 0.00000
319 -0.0423 0.00000
320 -0.0059 0.00000
321 0.1057 0.00000
322 -0.1292 0.00000
323 -0.0422 0.00000
324 -0.0530 0.00000
325 -0.0367 0.00000
326 0.0013 0.00000
327 -0.0407 0.00000
328 -0.0779 0.00000
329 0.0521 0.00000
330 -0.0036 0.00000
331 -0.0055 0.00000
332 0.0026 0.00000
333 -0.0844 0.00000
334 0.0664 0.00000
335 -0.0224 0.00000
336 -0.0547 0.00000
337 0.0454 0.00000
338 0.0230 0.00000
339 -0.1761 0.00000
340 0.0315 0.00000
341 -0.0257 0.00000
342 -0.0121 0.00000
343 -0.0274 0.00000
344 0.0186 0.00000
345 -0.0042 0.00000
346 -0.0679 0.00000
347 0.0216 0.00000
348 -0.0351 0.00000
349 -0.0199 0.00000
350 -0.0328 0.00000
351 -0.0303 0.00000
352 0.0795 0.00000
353 0.0185 0.00000
354 -0.0777 0.00000
355 0.0214 0.00000
356 0.0001 0.00000
357 -0.0035 0.00000
358 -0.0374 0.00000
359 -0.0580 0.00000
360 0.0541 0.00000
361 -0.0184 0.00000
362 -0.0120 0.00000
363 0.0057 0.00000
364 0.0173 0.00000
365 -0.1223 0.00000
366 0.0445 0.00000
367 0.0340 0.00000
368 -0.0098 0.00000
369 0.0838 0.00000
370 -0.0307 0.00000
371 -0.0942 0.00000
372 -0.0386 0.00000
373 0.0609 0.00000
374 0.0492 0.00000
375 0.0227 0.00000
376 0.0018 0.00000
377 0.0235 0.00000
378 0.0349 0.00000
379 0.0837 0.00000
380 0.0276 0.00000
381 0.1515 0.00000
382 0.0269 0.00000
383 0.0111 0.00000
384 0.0806 0.00000
385 -0.0335 0.00000
386 -0.0209 0.00000
387 -0.0762 0.00000
388 0.0324 0.00000
389 -0.0980 0.00000
390 0.0055 0.00000
391 -0.0116 0.00000
392 -0.0316 0.00000
393 -0.0061 0.00000
394 -0.0066 0.00000
395 -0.0082 0.00000
396 0.0210 0.00000
397 0.0713 0.00000
398 -0.0700 0.00000
399 0.0128 0.00000
400 -0.0440 0.00000
401 0.0700 0.00000
402 -0.0106 0.00000
403 -0.0511 0.00000
404 -0.0674 0.00000
405 -0.0131 0.00000
406 -0.0768 0.00000
407 -0.0711 0.00000
408 0.1874 0.00000
409 0.0160 0.00000
410 -0.0383 0.00000
411 -0.0223 0.00000
412 0.0367 0.00000
413 0.0812 0.00000
414 0.0514 0.00000
415 -0.0710 0.00000
416 -0.0183 0.00000
417 0.0064 0.00000
418 0.2236 0.00000
419 0.0637 0.00000
420 -0.0325 0.00000
421 0.0047 0.00000
422 0.0629 0.00000
423 0.0706 0.00000
424 0.0651 0.00000
425 0.0437 0.00000
426 0.0406 0.00000
427 -0.0001 0.00000
428 0.0651 0.00000
429 0.0653 0.00000
430 0.1453 0.00000
431 -0.0020 0.00000
432 0.0210 0.00000
433 0.0904 0.00000
434 -0.0529 0.00000
435 0.0701 0.00000
436 -0.0036 0.00000
437 -0.0877 0.00000
438 0.0111 0.00000
439 0.0399 0.00000
440 0.0419 0.00000
441 -0.0714 0.00000
442 -0.0605 0.00000
443 -0.0123 0.00000
444 0.1040 0.00000
445 0.0050 0.00000
446 0.0191 0.00000
447 0.0053 0.00000
448 -0.0043 0.00000
449 0.2325 0.00000
450 0.1168 0.00000
451 0.0578 0.00000
452 0.1309 0.00000
453 0.0564 0.00000
454 0.0533 0.00000
455 0.0824 0.00000
456 0.0310 0.00000
457 0.0303 0.00000
458 0.0144 0.00000
459 -0.0003 0.00000
460 0.0467 0.00000
461 0.0293 0.00000
462 -0.0028 0.00000
463 -0.0107 0.00000
464 0.0481 0.00000
465 0.1460 0.00000
466 0.1256 0.00000
467 -0.0132 0.00000
468 0.0321 0.00000
469 0.0556 0.00000
470 0.1213 0.00000
471 -0.0291 0.00000
472 -0.0226 0.00000
473 -0.0199 0.00000
474 0.0972 0.00000
475 0.0456 0.00000
476 -0.0042 0.00000
477 0.1042 0.00000
478 0.2277 0.00000
479 0.2258 0.00000
480 0.0020 0.00000
481 -0.0455 0.00000
482 0.0418 0.00000
483 0.1381 0.00000
484 -0.0008 0.00000
485 0.0712 0.00000
486 -0.0169 0.00000
487 0.0465 0.00000
488 0.0058 0.00000
489 0.0020 0.00000
490 0.0492 0.00000
491 0.1587 0.00000
492 -0.0133 0.00000
493 0.0609 0.00000
494 -0.0292 0.00000
495 0.0461 0.00000
496 0.0663 0.00000
497 -0.0465 0.00000
498 0.0106 0.00000
499 -0.0086 0.00000
500 0.2224 0.00000
501 -0.0720 0.00000
502 -0.0241 0.00000
503 0.0016 0.00000
504 0.0203 0.00000
505 0.0581 0.00000
506 0.1125 0.00000
507 0.0209 0.00000
508 0.0277 0.00000
509 0.0479 0.00000
510 0.0574 0.00000
511 -0.0043 0.00000
512 0.1216 0.00000
513 0.0786 0.00000
514 0.0448 0.00000
515 -0.0092 0.00000
516 0.1050 0.00000
517 0.0508 0.00000
518 0.0070 0.00000
519 -0.0411 0.00000
520 -0.0605 0.00000
521 0.0655 0.00000
522 -0.1195 0.00000
523 -0.0423 0.00000
524 0.1051 0.00000
525 -0.0009 0.00000
526 0.0036 0.00000
527 -0.0013 0.00000
528 0.0902 0.00000
529 -0.0222 0.00000
530 0.0046 0.00000
531 0.0183 0.00000
532 -0.0317 0.00000
533 0.0108 0.00000
534 -0.4005 0.00000
535 0.0554 0.00000
536 -0.0876 0.00000
537 0.0247 0.00000
538 0.0634 0.00000
539 0.2394 0.00000
540 0.0930 0.00000
541 0.0600 0.00000
542 -0.0257 0.00000
543 0.1137 0.00000
544 -0.0280 0.00000
545 0.1352 0.00000
546 -0.1051 0.00000
547 0.0104 0.00000
548 -0.0630 0.00000
549 0.1532 0.00000
550 -0.0558 0.00000
551 -0.0249 0.00000
552 -0.0517 0.00000
553 0.0036 0.00000
554 0.0338 0.00000
555 0.0822 0.00000
556 -0.1428 0.00000
557 0.0067 0.00000
558 0.0651 0.00000
559 -0.0027 0.00000
560 0.0204 0.00000
561 -0.0268 0.00000
562 0.0420 0.00000
563 0.1781 0.00000
564 -0.0332 0.00000
565 -0.2030 0.00000
566 -0.0496 0.00000
567 0.3615 0.00000
568 0.0583 0.00000
569 0.0074 0.00000
570 -0.0015 0.00000
571 0.0296 0.00000
572 -0.0283 0.00000
573 -0.0271 0.00000
574 0.0746 0.00000
575 0.0488 0.00000
576 -0.1234 0.00000
577 0.2644 0.00000
578 0.1308 0.00000
579 -0.0723 0.00000
580 -0.1790 0.00000
581 -0.0113 0.00000
582 -0.0171 0.00000
583 -0.0166 0.00000
584 -0.5714 0.00000
585 0.0494 0.00000
586 -0.0101 0.00000
587 -0.0092 0.00000
588 0.0411 0.00000
589 0.0004 0.00000
590 0.1464 0.00000
591 0.0106 0.00000
592 0.0474 0.00000
593 0.0461 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0013 0.00000
597 -0.0041 0.00000
598 -0.0751 0.00000
599 -0.0099 0.00000
600 0.0012 0.00000
601 -0.0721 0.00000
602 -0.0330 0.00000
603 0.0124 0.00000
604 -0.0657 0.00000
605 -0.0025 0.00000
606 -0.0009 0.00000
607 -0.0591 0.00000
608 -0.0088 0.00000
609 0.0474 0.00000
610 0.0591 0.00000
611 -0.0015 0.00000
612 0.0109 0.00000
613 -0.0079 0.00000
614 -0.0987 0.00000
615 -0.0891 0.00000
616 -0.1071 0.00000
617 0.0202 0.00000
618 -0.0039 0.00000
619 0.0731 0.00000
620 -0.0122 0.00000
621 -0.0479 0.00000
622 -0.0643 0.00000
623 0.0072 0.00000
624 0.0450 0.00000
625 -0.0285 0.00000
626 0.0137 0.00000
627 -0.0408 0.00000
628 0.0171 0.00000
629 -0.0085 0.00000
630 -0.0729 0.00000
631 0.0179 0.00000
632 -0.0719 0.00000
633 -0.0593 0.00000
634 -0.0138 0.00000
635 0.0072 0.00000
636 -0.0866 0.00000
637 -0.0204 0.00000
638 -0.0113 0.00000
639 -0.0519 0.00000
640 -0.0068 0.00000
641 -0.1655 0.00000
642 0.0046 0.00000
643 0.0054 0.00000
644 -0.0437 0.00000
645 0.0169 0.00000
646 -0.0129 0.00000
647 -0.0218 0.00000
648 -0.0264 0.00000
649 0.0085 0.00000
650 -0.0262 0.00000
651 0.0115 0.00000
652 0.0066 0.00000
653 -0.0409 0.00000
654 0.0047 0.00000
655 0.0170 0.00000
656 -0.2040 0.00000
657 0.0174 0.00000
658 0.0399 0.00000
659 0.0055 0.00000
660 -0.0330 0.00000
661 -0.0380 0.00000
662 -0.0783 0.00000
663 -0.0383 0.00000
664 -0.0102 0.00000
665 -0.0079 0.00000
666 -0.0904 0.00000
667 0.0237 0.00000
668 0.0311 0.00000
669 -0.0266 0.00000
670 -0.0781 0.00000
671 0.0313 0.00000
672 0.0251 0.00000
673 0.0053 0.00000
674 0.0233 0.00000
675 -0.0144 0.00000
676 0.0270 0.00000
677 0.0370 0.00000
678 -0.0595 0.00000
679 -0.1057 0.00000
680 0.1228 0.00000
681 -0.0597 0.00000
682 0.0293 0.00000
683 -0.0034 0.00000
684 0.0133 0.00000
685 0.0505 0.00000
686 0.0290 0.00000
687 0.0251 0.00000
688 -0.0034 0.00000
689 0.0523 0.00000
690 -0.0846 0.00000
691 0.0503 0.00000
692 -0.0659 0.00000
693 -0.0369 0.00000
694 -0.0014 0.00000
695 -0.0519 0.00000
696 -0.0440 0.00000
697 0.0020 0.00000
698 -0.1067 0.00000
699 -0.0162 0.00000
700 0.0148 0.00000
701 -0.0433 0.00000
702 -0.0301 0.00000
703 -0.0612 0.00000
704 -0.0019 0.00000
705 -0.0075 0.00000
706 -0.0057 0.00000
707 -0.1679 0.00000
708 -0.0375 0.00000
709 0.0249 0.00000
710 0.0080 0.00000
711 -0.0104 0.00000
712 0.0375 0.00000
713 -0.0678 0.00000
714 -0.0253 0.00000
715 0.0140 0.00000
716 -0.0112 0.00000
717 -0.0008 0.00000
718 -0.0690 0.00000
719 0.0073 0.00000
720 0.0499 0.00000
721 -0.0257 0.00000
722 -0.0074 0.00000
723 -0.0314 0.00000
724 0.0515 0.00000
725 -0.0550 0.00000
726 0.0291 0.00000
727 -0.0850 0.00000
728 0.0145 0.00000
729 -0.0095 0.00000
730 -0.0274 0.00000
731 -0.0665 0.00000
732 -0.0091 0.00000
733 -0.0862 0.00000
734 -0.0450 0.00000
735 0.0442 0.00000
736 -0.0766 0.00000
737 -0.0200 0.00000
738 -0.0129 0.00000
739 -0.0234 0.00000
740 -0.0446 0.00000
741 0.0223 0.00000
742 -0.0140 0.00000
743 0.0989 0.00000
744 -0.0036 0.00000
745 -0.0313 0.00000
746 0.0399 0.00000
747 -0.0120 0.00000
748 -0.0543 0.00000
749 -0.0104 0.00000
750 -0.0338 0.00000
751 0.0132 0.00000
752 -0.1236 0.00000
753 0.0194 0.00000
754 0.0108 0.00000
755 -0.0015 0.00000
756 -0.0718 0.00000
757 -0.0109 0.00000
758 0.0119 0.00000
759 -0.0758 0.00000
760 -0.0679 0.00000
761 0.0375 0.00000
762 0.0450 0.00000
763 -0.0016 0.00000
764 -0.0185 0.00000
765 0.0027 0.00000
766 -0.1123 0.00000
767 -0.0190 0.00000
768 0.0030 0.00000
769 0.0250 0.00000
770 0.0034 0.00000
771 -0.0568 0.00000
772 -0.0198 0.00000
773 0.0131 0.00000
774 -0.1144 0.00000
775 0.0013 0.00000
776 -0.0182 0.00000
777 -0.0349 0.00000
778 0.0151 0.00000
779 0.0450 0.00000
780 -0.0342 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0579 0.00000
5 -0.1474 0.00000
6 -0.0668 0.00000
7 -0.0367 0.00000
8 -0.0291 0.00000
9 -0.1242 0.00000
10 -0.1140 0.00000
11 0.0122 0.00000
12 -0.0935 0.00000
13 0.1493 0.00000
14 0.0101 0.00000
15 -0.2162 0.00000
16 0.0236 0.00000
17 -0.0494 0.00000
18 -0.0276 0.00000
19 0.0424 0.00000
20 0.2075 0.00000
21 -0.0431 0.00000
22 0.0475 0.00000
23 0.0094 0.00000
24 0.0250 0.00000
25 -0.0087 0.00000
26 0.8425 0.00000
27 0.7000 0.00000
28 -0.1607 0.00000
29 -0.0288 0.00000
30 0.6827 0.00000
31 -0.0273 0.00000
32 -0.1443 0.00000
33 -0.0197 0.00000
34 -0.0280 0.00000
35 -0.0243 0.00000
36 -0.1476 0.00000
37 -0.1419 0.00000
38 -0.1691 0.00000
39 -0.0288 0.00000
40 -0.0904 0.00000
41 -0.3052 0.00000
42 -0.0530 0.00000
43 -0.0232 0.00000
44 1.2463 0.00000
45 0.7090 0.00000
46 0.2422 0.00000
47 -0.0935 0.00000
48 -0.0842 0.00000
49 -0.1024 0.00000
50 0.0475 0.00000
51 -0.0250 0.00000
52 0.0323 0.00000
53 0.0342 0.00000
54 -0.0491 0.00000
55 -0.0685 0.00000
56 0.0668 0.00000
57 0.1898 0.00000
58 -0.1701 0.00000
59 -0.2023 0.00000
60 0.4545 0.00000
61 0.2986 0.00000
62 0.5934 0.00000
63 0.0059 0.00000
64 -0.1196 0.00000
65 -0.0482 0.00000
66 0.7617 0.00000
67 -0.0749 0.00000
68 0.0258 0.00000
69 -0.0838 0.00000
70 -0.0943 0.00000
71 -0.0204 0.00000
72 -0.0055 0.00000
73 -0.0599 0.00000
74 -0.1143 0.00000
75 0.2585 0.00000
76 0.1654 0.00000
77 0.1602 0.00000
78 -0.0910 0.00000
79 0.7967 0.00000
80 0.0719 0.00000
81 2.0018 0.00000
82 0.0263 0.00000
83 0.0354 0.00000
84 0.0432 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0088 0.00000
90 0.0432 0.00000
91 0.1946 0.00000
92 -0.0363 0.00000
93 0.1747 0.00000
94 0.0988 0.00000
95 0.0667 0.00000
96 0.1229 0.00000
97 0.0209 0.00000
98 -0.4713 0.00000
99 -0.7189 0.00000
100 0.0208 0.00000
101 -0.5738 0.00000
102 -0.0820 0.00000
103 -0.3610 0.00000
104 0.0344 0.00000
105 -0.0112 0.00000
106 0.0821 0.00000
107 0.0860 0.00000
108 0.1674 0.00000
109 0.0562 0.00000
110 0.0147 0.00000
111 0.0946 0.00000
112 -0.0330 0.00000
113 -0.0301 0.00000
114 -0.4386 0.00000
115 -0.1822 0.00000
116 -0.0085 0.00000
117 -0.4627 0.00000
118 0.0450 0.00000
119 -0.0789 0.00000
120 0.0428 0.00000
121 0.0239 0.00000
122 -0.0883 0.00000
123 0.0873 0.00000
124 0.2029 0.00000
125 -0.0680 0.00000
126 -0.5323 0.00000
127 0.0708 0.00000
128 -0.2447 0.00000
129 0.1232 0.00000
130 -0.0289 0.00000
131 -0.0810 0.00000
132 0.0907 0.00000
133 0.1211 0.00000
134 -0.1357 0.00000
135 -0.0015 0.00000
136 -0.1747 0.00000
137 0.0462 0.00000
138 -1.2108 0.00000
139 0.0484 0.00000
140 0.0667 0.00000
141 0.0991 0.00000
142 0.0833 0.00000
143 0.0931 0.00000
144 0.0933 0.00000
145 0.0938 0.00000
146 0.1151 0.00000
147 0.0355 0.00000
148 0.0025 0.00000
149 -0.1858 0.00000
150 0.0077 0.00000
151 -0.0489 0.00000
152 -0.0736 0.00000
153 -0.0911 0.00000
154 -0.0190 0.00000
155 -0.0209 0.00000
156 -0.0990 0.00000
157 0.7593 0.00000
158 0.0258 0.00000
159 -0.0578 0.00000
160 0.2910 0.00000
161 0.0995 0.00000
162 0.0069 0.00000
163 0.0172 0.00000
164 -0.2545 0.00000
165 0.1454 0.00000
166 0.1129 0.00000
167 0.0044 0.00000
168 0.3642 0.00000
169 -0.0368 0.00000
170 0.0948 0.00000
171 -0.1192 0.00000
172 -0.0034 0.00000
173 0.0470 0.00000
174 -0.0656 0.00000
175 0.1775 0.00000
176 -0.0145 0.00000
177 -0.0326 0.00000
178 0.1129 0.00000
179 -0.0347 0.00000
180 0.3038 0.00000
181 0.1268 0.00000
182 0.0629 0.00000
183 -0.0121 0.00000
184 0.2432 0.00000
185 0.2333 0.00000
186 0.0603 0.00000
187 -0.0735 0.00000
188 0.0217 0.00000
189 0.1595 0.00000
190 -0.0425 0.00000
191 -0.0074 0.00000
192 -0.0490 0.00000
193 -0.0701 0.00000
194 -0.0278 0.00000
195 0.1082 0.00000
196 -0.0385 0.00000
197 0.3071 0.00000
198 0.3641 0.00000
199 0.0258 0.00000
200 0.0765 0.00000
201 0.1152 0.00000
202 -0.0042 0.00000
203 -0.0008 0.00000
204 0.0584 0.00000
205 0.3280 0.00000
206 -0.0147 0.00000
207 0.0105 0.00000
208 0.0364 0.00000
209 -0.0464 0.00000
210 -0.0694 0.00000
211 -0.0183 0.00000
212 0.0733 0.00000
213 0.0250 0.00000
214 0.0071 0.00000
215 -0.0274 0.00000
216 0.6114 0.00000
217 -0.0396 0.00000
218 0.4160 0.00000
219 -0.0153 0.00000
220 -0.0406 0.00000
221 -0.1217 0.00000
222 -0.0947 0.00000
223 -0.0569 0.00000
224 0.0868 0.00000
225 0.1146 0.00000
226 -0.0413 0.00000
227 0.3051 0.00000
228 -0.0237 0.00000
229 -0.0261 0.00000
230 -0.0703 0.00000
231 -0.0229 0.00000
232 0.2112 0.00000
233 0.2238 0.00000
234 0.2135 0.00000
235 0.0433 0.00000
236 0.0426 0.00000
237 0.0828 0.00000
238 0.0273 0.00000
239 0.0241 0.00000
240 0.1866 0.00000
241 0.0134 0.00000
242 -0.0702 0.00000
243 0.1224 0.00000
244 -0.0795 0.00000
245 -0.0677 0.00000
246 -0.0724 0.00000
247 -0.1519 0.00000
248 -0.1016 0.00000
249 0.0141 0.00000
250 -0.0767 0.00000
251 -0.0271 0.00000
252 0.2156 0.00000
253 -0.3018 0.00000
254 -0.1035 0.00000
255 -0.0179 0.00000
256 -0.0096 0.00000
257 -0.0232 0.00000
258 -0.0081 0.00000
259 -0.0151 0.00000
260 0.0012 0.00000
261 -0.0978 0.00000
262 -0.0045 0.00000
263 -0.0278 0.00000
264 -0.0423 0.00000
265 0.0285 0.00000
266 -0.0184 0.00000
267 -0.0420 0.00000
268 -0.0118 0.00000
269 0.0589 0.00000
270 -0.0238 0.00000
271 -0.0654 0.00000
272 -0.0505 0.00000
273 -0.1265 0.00000
274 -0.0852 0.00000
275 -0.0523 0.00000
276 -0.0189 0.00000
277 0.1596 0.00000
278 -0.0146 0.00000
279 -0.1817 0.00000
280 0.0754 0.00000
281 0.0187 0.00000
282 -0.0369 0.00000
283 -0.0396 0.00000
284 -0.1051 0.00000
285 -0.0239 0.00000
286 -0.0181 0.00000
287 -0.0436 0.00000
288 -0.0270 0.00000
289 -0.0209 0.00000
290 -0.0319 0.00000
291 -0.0101 0.00000
292 -0.0881 0.00000
293 -0.0939 0.00000
294 -0.0557 0.00000
295 0.0284 0.00000
296 -0.0032 0.00000
297 -0.2247 0.00000
298 0.0515 0.00000
299 -0.1160 0.00000
300 0.0039 0.00000
301 -0.0150 0.00000
302 -0.0338 0.00000
303 -0.1164 0.00000
304 -0.0622 0.00000
305 0.0563 0.00000
306 -0.1038 0.00000
307 -0.0653 0.00000
308 -0.0237 0.00000
309 0.0341 0.00000
310 0.0852 0.00000
311 -0.1718 0.00000
312 0.0554 0.00000
313 -0.0571 0.00000
314 0.0204 0.00000
315 0.0898 0.00000
316 -0.0469 0.00000
317 -0.0809 0.00000
318 -0.0375 0.00000
319 -0.0083 0.00000
320 -0.0301 0.00000
321 0.0581 0.00000
322 -0.1118 0.00000
323 -0.0391 0.00000
324 0.0691 0.00000
325 -0.0321 0.00000
326 0.0450 0.00000
327 -0.0288 0.00000
328 0.0282 0.00000
329 -0.0713 0.00000
330 0.0119 0.00000
331 -0.0124 0.00000
332 0.0065 0.00000
333 -0.0403 0.00000
334 -0.0507 0.00000
335 -0.0575 0.00000
336 -0.0718 0.00000
337 0.0255 0.00000
338 0.0654 0.00000
339 0.0225 0.00000
340 -0.0982 0.00000
341 -0.1983 0.00000
342 0.0481 0.00000
343 0.0248 0.00000
344 -0.0339 0.00000
345 -0.0954 0.00000
346 0.0345 0.00000
347 -0.0153 0.00000
348 0.0150 0.00000
349 -0.0251 0.00000
350 -0.0169 0.00000
351 -0.0253 0.00000
352 0.0008 0.00000
353 -0.0643 0.00000
354 0.0452 0.00000
355 -0.0233 0.00000
356 -0.0010 0.00000
357 0.0292 0.00000
358 0.0020 0.00000
359 0.0046 0.00000
360 0.0113 0.00000
361 0.0032 0.00000
362 -0.0714 0.00000
363 0.0593 0.00000
364 -0.0746 0.00000
365 -0.0439 0.00000
366 -0.0433 0.00000
367 0.1176 0.00000
368 -0.0432 0.00000
369 0.0117 0.00000
370 -0.0106 0.00000
371 -0.1245 0.00000
372 0.0885 0.00000
373 -0.0442 0.00000
374 0.0174 0.00000
375 0.0830 0.00000
376 0.1503 0.00000
377 0.0182 0.00000
378 0.0327 0.00000
379 0.0538 0.00000
380 0.0438 0.00000
381 -0.0051 0.00000
382 0.0811 0.00000
383 0.0149 0.00000
384 -0.1020 0.00000
385 0.1235 0.00000
386 0.1201 0.00000
387 -0.0102 0.00000
388 -0.1031 0.00000
389 -0.0047 0.00000
390 0.0601 0.00000
391 0.0201 0.00000
392 -0.1003 0.00000
393 -0.0300 0.00000
394 -0.0583 0.00000
395 0.0211 0.00000
396 -0.1083 0.00000
397 0.1268 0.00000
398 -0.0154 0.00000
399 0.0550 0.00000
400 -0.0546 0.00000
401 0.0318 0.00000
402 -0.0618 0.00000
403 -0.0235 0.00000
404 -0.0249 0.00000
405 -0.0533 0.00000
406 -0.0358 0.00000
407 -0.1098 0.00000
408 0.0330 0.00000
409 0.0632 0.00000
410 0.0241 0.00000
411 0.0280 0.00000
412 0.0057 0.00000
413 -0.0167 0.00000
414 -0.0916 0.00000
415 0.0457 0.00000
416 0.1440 0.00000
417 0.0706 0.00000
418 -0.0197 0.00000
419 0.0124 0.00000
420 0.0284 0.00000
421 -0.0079 0.00000
422 0.0626 0.00000
423 0.0005 0.00000
424 0.0414 0.00000
425 0.1689 0.00000
426 0.0946 0.00000
427 0.0314 0.00000
428 0.0011 0.00000
429 0.0471 0.00000
430 0.0546 0.00000
431 -0.0364 0.00000
432 -0.0058 0.00000
433 0.0278 0.00000
434 0.0069 0.00000
435 -0.0041 0.00000
436 -0.0219 0.00000
437 0.0883 0.00000
438 -0.0128 0.00000
439 0.0538 0.00000
440 0.0338 0.00000
441 0.0151 0.00000
442 0.0040 0.00000
443 0.0284 0.00000
444 0.0773 0.00000
445 0.2104 0.00000
446 0.1487 0.00000
447 -0.0330 0.00000
448 0.0206 0.00000
449 0.0267 0.00000
450 0.0496 0.00000
451 0.1559 0.00000
452 0.2415 0.00000
453 0.0576 0.00000
454 -0.0525 0.00000
455 0.0115 0.00000
456 0.1485 0.00000
457 -0.0777 0.00000
458 0.0134 0.00000
459 -0.0155 0.00000
460 -0.0540 0.00000
461 0.0001 0.00000
462 -0.0154 0.00000
463 0.0116 0.00000
464 -0.0296 0.00000
465 0.0022 0.00000
466 -0.0221 0.00000
467 0.0808 0.00000
468 0.1650 0.00000
469 0.2154 0.00000
470 0.1438 0.00000
471 0.0077 0.00000
472 0.0283 0.00000
473 0.0456 0.00000
474 0.0020 0.00000
475 0.0520 0.00000
476 0.0616 0.00000
477 0.1103 0.00000
478 -0.0139 0.00000
479 0.2736 0.00000
480 -0.0821 0.00000
481 0.1519 0.00000
482 -0.0449 0.00000
483 0.1160 0.00000
484 0.0341 0.00000
485 -0.0208 0.00000
486 0.0424 0.00000
487 0.0430 0.00000
488 0.0828 0.00000
489 0.0735 0.00000
490 0.0139 0.00000
491 -0.0399 0.00000
492 0.0132 0.00000
493 0.1072 0.00000
494 0.0003 0.00000
495 0.0925 0.00000
496 0.0672 0.00000
497 -0.0140 0.00000
498 0.0668 0.00000
499 -0.0174 0.00000
500 0.0216 0.00000
501 0.0071 0.00000
502 0.0436 0.00000
503 0.0132 0.00000
504 0.0392 0.00000
505 0.0451 0.00000
506 0.0677 0.00000
507 0.0657 0.00000
508 0.0175 0.00000
509 0.0500 0.00000
510 -0.0111 0.00000
511 -0.0543 0.00000
512 0.0665 0.00000
513 0.0350 0.00000
514 0.0136 0.00000
515 0.0595 0.00000
516 0.1342 0.00000
517 0.0037 0.00000
518 0.0894 0.00000
519 0.0265 0.00000
520 -0.0894 0.00000
521 -0.0570 0.00000
522 0.0535 0.00000
523 0.0217 0.00000
524 0.1096 0.00000
525 0.1507 0.00000
526 0.0294 0.00000
527 0.0698 0.00000
528 0.0352 0.00000
529 0.1352 0.00000
530 -0.0041 0.00000
531 -0.0859 0.00000
532 -0.0679 0.00000
533 -0.1625 0.00000
534 -0.1191 0.00000
535 -0.0515 0.00000
536 -0.1392 0.00000
537 0.1508 0.00000
538 0.0954 0.00000
539 0.0096 0.00000
540 -0.2734 0.00000
541 0.0831 0.00000
542 0.0859 0.00000
543 -0.0074 0.00000
544 -0.0514 0.00000
545 0.1295 0.00000
546 0.0095 0.00000
547 0.0070 0.00000
548 0.0832 0.00000
549 -0.0617 0.00000
550 0.0040 0.00000
551 0.0472 0.00000
552 -0.0530 0.00000
553 -0.0010 0.00000
554 0.1246 0.00000
555 -0.0061 0.00000
556 0.0461 0.00000
557 0.0095 0.00000
558 -0.1377 0.00000
559 0.0595 0.00000
560 0.0895 0.00000
561 0.0594 0.00000
562 0.0041 0.00000
563 0.0048 0.00000
564 0.0165 0.00000
565 -0.0381 0.00000
566 -0.0730 0.00000
567 -0.1227 0.00000
568 0.0704 0.00000
569 0.1601 0.00000
570 0.0335 0.00000
571 0.0863 0.00000
572 0.1577 0.00000
573 0.0029 0.00000
574 -0.0075 0.00000
575 -0.0053 0.00000
576 0.0769 0.00000
577 0.0874 0.00000
578 -0.0591 0.00000
579 0.0188 0.00000
580 0.1088 0.00000
581 -0.1158 0.00000
582 0.0057 0.00000
583 -0.1700 0.00000
584 -0.3974 0.00000
585 -0.0001 0.00000
586 -0.1052 0.00000
587 0.0109 0.00000
588 0.0258 0.00000
589 -0.0002 0.00000
590 0.1131 0.00000
591 0.0482 0.00000
592 0.0451 0.00000
593 0.0466 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0012 0.00000
597 -0.0043 0.00000
598 -0.0659 0.00000
599 0.0019 0.00000
600 -0.0354 0.00000
601 -0.0148 0.00000
602 -0.0331 0.00000
603 -0.0092 0.00000
604 -0.0163 0.00000
605 -0.0473 0.00000
606 -0.0155 0.00000
607 -0.0409 0.00000
608 -0.0590 0.00000
609 -0.0373 0.00000
610 0.0610 0.00000
611 -0.1602 0.00000
612 0.0035 0.00000
613 0.0808 0.00000
614 0.0374 0.00000
615 0.0263 0.00000
616 0.0144 0.00000
617 0.0208 0.00000
618 -0.0498 0.00000
619 0.0370 0.00000
620 -0.0302 0.00000
621 -0.0558 0.00000
622 -0.0709 0.00000
623 0.0258 0.00000
624 -0.0106 0.00000
625 -0.0285 0.00000
626 0.0066 0.00000
627 -0.0034 0.00000
628 -0.0589 0.00000
629 -0.0081 0.00000
630 -0.1621 0.00000
631 0.0138 0.00000
632 -0.0226 0.00000
633 -0.0760 0.00000
634 -0.0236 0.00000
635 -0.0044 0.00000
636 -0.0174 0.00000
637 0.0100 0.00000
638 -0.1098 0.00000
639 0.0445 0.00000
640 -0.0687 0.00000
641 0.0408 0.00000
642 -0.0745 0.00000
643 0.0087 0.00000
644 -0.0326 0.00000
645 -0.0238 0.00000
646 -0.1090 0.00000
647 -0.0245 0.00000
648 0.0513 0.00000
649 0.0414 0.00000
650 -0.0585 0.00000
651 -0.0316 0.00000
652 0.0218 0.00000
653 0.0276 0.00000
654 -0.1588 0.00000
655 -0.0422 0.00000
656 -0.0113 0.00000
657 -0.0156 0.00000
658 0.0210 0.00000
659 -0.0177 0.00000
660 -0.0957 0.00000
661 -0.0053 0.00000
662 0.0458 0.00000
663 -0.0147 0.00000
664 -0.0571 0.00000
665 0.0050 0.00000
666 0.0017 0.00000
667 0.0195 0.00000
668 0.0574 0.00000
669 -0.1009 0.00000
670 0.0050 0.00000
671 -0.0048 0.00000
672 -0.0589 0.00000
673 0.0353 0.00000
674 0.0552 0.00000
675 0.0064 0.00000
676 -0.0323 0.00000
677 -0.0007 0.00000
678 -0.0261 0.00000
679 0.0352 0.00000
680 0.0047 0.00000
681 0.0516 0.00000
682 -0.0180 0.00000
683 -0.0519 0.00000
684 0.0043 0.00000
685 -0.0494 0.00000
686 -0.0083 0.00000
687 -0.0037 0.00000
688 -0.0129 0.00000
689 0.0217 0.00000
690 0.0001 0.00000
691 -0.1052 0.00000
692 -0.0207 0.00000
693 -0.1088 0.00000
694 -0.0069 0.00000
695 0.0006 0.00000
696 0.0524 0.00000
697 0.0146 0.00000
698 -0.0111 0.00000
699 -0.0897 0.00000
700 -0.0697 0.00000
701 0.0098 0.00000
702 0.0036 0.00000
703 -0.0368 0.00000
704 -0.0668 0.00000
705 0.0499 0.00000
706 -0.0669 0.00000
707 -0.0964 0.00000
708 -0.0249 0.00000
709 0.0311 0.00000
710 -0.0356 0.00000
711 -0.0226 0.00000
712 -0.0205 0.00000
713 -0.0201 0.00000
714 0.0081 0.00000
715 -0.0135 0.00000
716 -0.0487 0.00000
717 0.0460 0.00000
718 -0.0561 0.00000
719 0.0137 0.00000
720 0.0174 0.00000
721 0.0098 0.00000
722 0.0198 0.00000
723 -0.0072 0.00000
724 -0.0178 0.00000
725 0.0091 0.00000
726 -0.0314 0.00000
727 -0.0260 0.00000
728 -0.0028 0.00000
729 -0.0448 0.00000
730 0.0152 0.00000
731 0.0243 0.00000
732 -0.1145 0.00000
733 -0.0156 0.00000
734 -0.0434 0.00000
735 -0.1732 0.00000
736 0.0036 0.00000
737 -0.0360 0.00000
738 -0.0109 0.00000
739 0.0613 0.00000
740 0.0009 0.00000
741 -0.0562 0.00000
742 -0.0518 0.00000
743 -0.0748 0.00000
744 0.0697 0.00000
745 -0.0010 0.00000
746 -0.0170 0.00000
747 -0.0513 0.00000
748 0.0290 0.00000
749 -0.0633 0.00000
750 -0.0085 0.00000
751 0.0012 0.00000
752 0.0719 0.00000
753 0.0082 0.00000
754 -0.0374 0.00000
755 -0.0093 0.00000
756 -0.0157 0.00000
757 -0.0285 0.00000
758 0.0184 0.00000
759 -0.0823 0.00000
760 -0.0590 0.00000
761 0.0343 0.00000
762 0.0804 0.00000
763 -0.0136 0.00000
764 -0.0127 0.00000
765 -0.0385 0.00000
766 -0.0785 0.00000
767 -0.0461 0.00000
768 -0.0681 0.00000
769 0.0651 0.00000
770 -0.0207 0.00000
771 0.0279 0.00000
772 -0.0380 0.00000
773 -0.0059 0.00000
774 -0.0209 0.00000
775 -0.0421 0.00000
776 0.0384 0.00000
777 -0.0015 0.00000
778 0.0365 0.00000
779 0.0011 0.00000
780 -0.0055 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0564 0.00000
5 -0.1490 0.00000
6 -0.0661 0.00000
7 -0.0372 0.00000
8 -0.0289 0.00000
9 -0.1241 0.00000
10 -0.1151 0.00000
11 0.0121 0.00000
12 -0.0919 0.00000
13 0.1484 0.00000
14 0.0112 0.00000
15 -0.2162 0.00000
16 0.0041 0.00000
17 -0.1589 0.00000
18 0.0915 0.00000
19 0.0919 0.00000
20 0.1669 0.00000
21 -0.0431 0.00000
22 0.0426 0.00000
23 0.0125 0.00000
24 0.0069 0.00000
25 0.0468 0.00000
26 0.5650 0.00000
27 0.9587 0.00000
28 -0.1913 0.00000
29 0.0203 0.00000
30 0.7073 0.00000
31 -0.0784 0.00000
32 -0.1636 0.00000
33 -0.0158 0.00000
34 -0.0238 0.00000
35 -0.0247 0.00000
36 -0.1240 0.00000
37 -0.1966 0.00000
38 -0.1519 0.00000
39 -0.0740 0.00000
40 -0.0249 0.00000
41 -0.3181 0.00000
42 0.0044 0.00000
43 -0.0271 0.00000
44 1.9111 0.00000
45 -0.0462 0.00000
46 0.0405 0.00000
47 0.1440 0.00000
48 -0.0858 0.00000
49 0.0216 0.00000
50 0.0428 0.00000
51 -0.0482 0.00000
52 -0.0585 0.00000
53 0.0342 0.00000
54 -0.0743 0.00000
55 -0.0683 0.00000
56 0.0410 0.00000
57 0.1790 0.00000
58 -0.1828 0.00000
59 0.4859 0.00000
60 -0.1965 0.00000
61 0.3807 0.00000
62 0.6621 0.00000
63 -0.1008 0.00000
64 -0.0563 0.00000
65 -0.1837 0.00000
66 0.8264 0.00000
67 0.1372 0.00000
68 -0.1758 0.00000
69 -0.0868 0.00000
70 -0.0947 0.00000
71 -0.0195 0.00000
72 -0.0056 0.00000
73 -0.0590 0.00000
74 -0.1142 0.00000
75 0.3741 0.00000
76 0.0366 0.00000
77 0.1657 0.00000
78 -0.3097 0.00000
79 1.0202 0.00000
80 0.0725 0.00000
81 2.0029 0.00000
82 0.0262 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0099 0.00000
90 0.0502 0.00000
91 0.0960 0.00000
92 0.0482 0.00000
93 0.1753 0.00000
94 0.1245 0.00000
95 0.0834 0.00000
96 0.1186 0.00000
97 -0.1038 0.00000
98 -0.4371 0.00000
99 -0.2338 0.00000
100 -0.8033 0.00000
101 -0.1997 0.00000
102 -0.0929 0.00000
103 -0.3624 0.00000
104 0.0881 0.00000
105 -0.0123 0.00000
106 0.0742 0.00000
107 -0.0202 0.00000
108 0.0324 0.00000
109 0.2920 0.00000
110 -0.0150 0.00000
111 0.0634 0.00000
112 -0.0419 0.00000
113 -0.0020 0.00000
114 0.0759 0.00000
115 -0.6886 0.00000
116 0.0027 0.00000
117 -0.4817 0.00000
118 0.0573 0.00000
119 -0.0572 0.00000
120 0.0335 0.00000
121 -0.0003 0.00000
122 -0.0331 0.00000
123 0.1532 0.00000
124 0.1525 0.00000
125 -0.0987 0.00000
126 -0.6105 0.00000
127 0.0482 0.00000
128 -0.0842 0.00000
129 0.1649 0.00000
130 -0.1605 0.00000
131 -0.0285 0.00000
132 0.1049 0.00000
133 0.0966 0.00000
134 -0.1482 0.00000
135 -0.0075 0.00000
136 -0.1213 0.00000
137 0.1019 0.00000
138 -1.2937 0.00000
139 0.0284 0.00000
140 0.0719 0.00000
141 0.0885 0.00000
142 0.0838 0.00000
143 0.0972 0.00000
144 0.0927 0.00000
145 0.0935 0.00000
146 0.1160 0.00000
147 0.0352 0.00000
148 -0.0148 0.00000
149 -0.1710 0.00000
150 0.0114 0.00000
151 -0.1021 0.00000
152 0.0347 0.00000
153 -0.0797 0.00000
154 0.0026 0.00000
155 0.0146 0.00000
156 -0.0627 0.00000
157 0.0229 0.00000
158 0.6750 0.00000
159 0.0492 0.00000
160 -0.0031 0.00000
161 0.0523 0.00000
162 -0.0113 0.00000
163 0.2002 0.00000
164 -0.0402 0.00000
165 -0.0230 0.00000
166 0.2944 0.00000
167 0.0004 0.00000
168 0.0644 0.00000
169 -0.0237 0.00000
170 -0.0121 0.00000
171 0.0133 0.00000
172 -0.0489 0.00000
173 0.0131 0.00000
174 0.0293 0.00000
175 0.1185 0.00000
176 0.0474 0.00000
177 0.1975 0.00000
178 0.0576 0.00000
179 0.0421 0.00000
180 0.0243 0.00000
181 0.1218 0.00000
182 -0.0961 0.00000
183 0.1359 0.00000
184 0.2642 0.00000
185 0.2706 0.00000
186 0.0745 0.00000
187 0.0655 0.00000
188 -0.0363 0.00000
189 -0.0320 0.00000
190 -0.0588 0.00000
191 0.0342 0.00000
192 -0.0845 0.00000
193 0.0754 0.00000
194 0.0057 0.00000
195 0.1167 0.00000
196 -0.0181 0.00000
197 0.0056 0.00000
198 0.5577 0.00000
199 0.0400 0.00000
200 0.0105 0.00000
201 -0.0721 0.00000
202 0.6223 0.00000
203 -0.0115 0.00000
204 0.0429 0.00000
205 -0.0159 0.00000
206 -0.0997 0.00000
207 0.0753 0.00000
208 0.0472 0.00000
209 -0.1058 0.00000
210 -0.0129 0.00000
211 -0.0086 0.00000
212 -0.0034 0.00000
213 0.0052 0.00000
214 0.0719 0.00000
215 -0.0198 0.00000
216 0.8835 0.00000
217 0.1102 0.00000
218 -0.0192 0.00000
219 -0.1420 0.00000
220 0.0696 0.00000
221 -0.0998 0.00000
222 -0.0278 0.00000
223 -0.0957 0.00000
224 0.0015 0.00000
225 0.1453 0.00000
226 0.0012 0.00000
227 0.3226 0.00000
228 -0.0240 0.00000
229 -0.0235 0.00000
230 -0.0765 0.00000
231 -0.0215 0.00000
232 0.2482 0.00000
233 0.1845 0.00000
234 0.2101 0.00000
235 0.0723 0.00000
236 0.0322 0.00000
237 0.0157 0.00000
238 0.0930 0.00000
239 0.0344 0.00000
240 0.0385 0.00000
241 0.0704 0.00000
242 0.0230 0.00000
243 0.0044 0.00000
244 0.0198 0.00000
245 -0.0952 0.00000
246 -0.1117 0.00000
247 0.0037 0.00000
248 -0.1499 0.00000
249 -0.0555 0.00000
250 -0.1199 0.00000
251 -0.0457 0.00000
252 0.0711 0.00000
253 0.0125 0.00000
254 -0.0470 0.00000
255 0.0344 0.00000
256 0.0055 0.00000
257 -0.2162 0.00000
258 0.0073 0.00000
259 -0.0490 0.00000
260 0.0112 0.00000
261 -0.0674 0.00000
262 -0.0070 0.00000
263 -0.0447 0.00000
264 -0.0699 0.00000
265 -0.0152 0.00000
266 -0.0161 0.00000
267 0.0298 0.00000
268 0.0375 0.00000
269 -0.0889 0.00000
270 -0.0338 0.00000
271 0.0159 0.00000
272 -0.1658 0.00000
273 -0.0400 0.00000
274 -0.1530 0.00000
275 -0.0244 0.00000
276 -0.0460 0.00000
277 0.0319 0.00000
278 0.1516 0.00000
279 -0.0073 0.00000
280 -0.0584 0.00000
281 0.0504 0.00000
282 0.0140 0.00000
283 -0.0228 0.00000
284 -0.0766 0.00000
285 -0.0591 0.00000
286 -0.0092 0.00000
287 0.0041 0.00000
288 -0.0278 0.00000
289 -0.2737 0.00000
290 -0.0602 0.00000
291 -0.0776 0.00000
292 -0.1089 0.00000
293 -0.0262 0.00000
294 -0.0366 0.00000
295 0.0534 0.00000
296 -0.0099 0.00000
297 0.0876 0.00000
298 0.0044 0.00000
299 0.0226 0.00000
300 -0.1108 0.00000
301 -0.0292 0.00000
302 -0.1492 0.00000
303 -0.0665 0.00000
304 0.0289 0.00000
305 -0.1864 0.00000
306 -0.1218 0.00000
307 -0.0275 0.00000
308 0.0286 0.00000
309 -0.0752 0.00000
310 0.0555 0.00000
311 -0.1105 0.00000
312 0.0766 0.00000
313 -0.0127 0.00000
314 -0.0030 0.00000
315 0.0848 0.00000
316 -0.0613 0.00000
317 -0.0186 0.00000
318 -0.0667 0.00000
319 -0.0081 0.00000
320 -0.0146 0.00000
321 0.0201 0.00000
322 -0.0815 0.00000
323 -0.0054 0.00000
324 -0.0212 0.00000
325 0.0331 0.00000
326 0.0136 0.00000
327 -0.0240 0.00000
328 -0.0534 0.00000
329 -0.0164 0.00000
330 0.0773 0.00000
331 0.0362 0.00000
332 -0.0217 0.00000
333 -0.0428 0.00000
334 0.0690 0.00000
335 -0.0587 0.00000
336 -0.0583 0.00000
337 0.0534 0.00000
338 -0.2466 0.00000
339 -0.1165 0.00000
340 0.0248 0.00000
341 -0.0052 0.00000
342 0.0135 0.00000
343 0.0097 0.00000
344 0.0088 0.00000
345 -0.0400 0.00000
346 -0.0246 0.00000
347 0.0391 0.00000
348 -0.0094 0.00000
349 -0.0124 0.00000
350 -0.0322 0.00000
351 -0.0553 0.00000
352 0.0088 0.00000
353 -0.0161 0.00000
354 -0.0133 0.00000
355 -0.1203 0.00000
356 0.0408 0.00000
357 0.0346 0.00000
358 0.0448 0.00000
359 0.0218 0.00000
360 -0.0377 0.00000
361 0.0388 0.00000
362 -0.0351 0.00000
363 -0.0813 0.00000
364 0.0001 0.00000
365 -0.0490 0.00000
366 -0.0448 0.00000
367 0.0590 0.00000
368 0.0072 0.00000
369 -0.0065 0.00000
370 0.0480 0.00000
371 0.0820 0.00000
372 -0.1284 0.00000
373 0.0205 0.00000
374 0.0385 0.00000
375 0.0139 0.00000
376 -0.0440 0.00000
377 0.0793 0.00000
378 0.0469 0.00000
379 0.0899 0.00000
380 0.0462 0.00000
381 -0.0081 0.00000
382 0.1414 0.00000
383 -0.0000 0.00000
384 0.1428 0.00000
385 0.0353 0.00000
386 -0.0434 0.00000
387 -0.0478 0.00000
388 -0.0001 0.00000
389 0.0671 0.00000
390 -0.0067 0.00000
391 -0.1109 0.00000
392 -0.1846 0.00000
393 0.1104 0.00000
394 -0.0009 0.00000
395 0.0506 0.00000
396 -0.0059 0.00000
397 -0.0409 0.00000
398 -0.0212 0.00000
399 -0.0301 0.00000
400 -0.0249 0.00000
401 -0.0382 0.00000
402 -0.1075 0.00000
403 0.0091 0.00000
404 -0.0086 0.00000
405 0.0184 0.00000
406 0.0014 0.00000
407 -0.0041 0.00000
408 0.1002 0.00000
409 -0.0959 0.00000
410 -0.1648 0.00000
411 -0.0208 0.00000
412 0.1238 0.00000
413 0.0269 0.00000
414 0.0161 0.00000
415 0.1881 0.00000
416 0.0432 0.00000
417 0.0159 0.00000
418 0.0040 0.00000
419 -0.0070 0.00000
420 0.0070 0.00000
421 0.0973 0.00000
422 -0.0675 0.00000
423 0.0873 0.00000
424 -0.0922 0.00000
425 -0.0040 0.00000
426 0.0632 0.00000
427 0.0658 0.00000
428 0.1074 0.00000
429 0.0603 0.00000
430 0.0737 0.00000
431 0.0316 0.00000
432 0.0331 0.00000
433 0.1332 0.00000
434 0.0356 0.00000
435 -0.0509 0.00000
436 0.0775 0.00000
437 0.0887 0.00000
438 0.0553 0.00000
439 -0.0460 0.00000
440 -0.0047 0.00000
441 0.0272 0.00000
442 -0.0224 0.00000
443 0.1243 0.00000
444 -0.0251 0.00000
445 -0.0653 0.00000
446 0.0837 0.00000
447 0.0434 0.00000
448 0.0215 0.00000
449 0.0253 0.00000
450 0.2754 0.00000
451 -0.0139 0.00000
452 0.1187 0.00000
453 0.0523 0.00000
454 0.0464 0.00000
455 0.0333 0.00000
456 0.0448 0.00000
457 0.0757 0.00000
458 0.0744 0.00000
459 0.0599 0.00000
460 0.0034 0.00000
461 0.0057 0.00000
462 -0.0729 0.00000
463 0.0486 0.00000
464 0.0257 0.00000
465 -0.0232 0.00000
466 -0.0214 0.00000
467 0.0992 0.00000
468 0.1089 0.00000
469 0.0140 0.00000
470 0.0268 0.00000
471 0.1941 0.00000
472 0.0308 0.00000
473 0.1681 0.00000
474 -0.0364 0.00000
475 0.0686 0.00000
476 0.0276 0.00000
477 0.1638 0.00000
478 0.0347 0.00000
479 0.0553 0.00000
480 0.0262 0.00000
481 0.0141 0.00000
482 -0.0543 0.00000
483 0.1052 0.00000
484 0.0035 0.00000
485 0.1779 0.00000
486 0.0932 0.00000
487 0.1119 0.00000
488 -0.0399 0.00000
489 0.0302 0.00000
490 0.0192 0.00000
491 0.0642 0.00000
492 -0.0206 0.00000
493 0.0093 0.00000
494 -0.0140 0.00000
495 0.2569 0.00000
496 -0.0018 0.00000
497 0.0033 0.00000
498 -0.0589 0.00000
499 0.0006 0.00000
500 0.0594 0.00000
501 0.0014 0.00000
502 0.0448 0.00000
503 -0.0097 0.00000
504 0.0656 0.00000
505 0.0184 0.00000
506 0.0243 0.00000
507 -0.0209 0.00000
508 0.1972 0.00000
509 0.0758 0.00000
510 0.0108 0.00000
511 0.0393 0.00000
512 0.0874 0.00000
513 -0.0745 0.00000
514 -0.0324 0.00000
515 0.0472 0.00000
516 0.0262 0.00000
517 0.0283 0.00000
518 0.0476 0.00000
519 0.0596 0.00000
520 -0.0065 0.00000
521 0.0637 0.00000
522 -0.0811 0.00000
523 -0.0167 0.00000
524 0.1939 0.00000
525 -0.0839 0.00000
526 0.0189 0.00000
527 0.0306 0.00000
528 -0.0553 0.00000
529 -0.0541 0.00000
530 0.1164 0.00000
531 0.2089 0.00000
532 0.1392 0.00000
533 -0.0701 0.00000
534 -0.2552 0.00000
535 0.0491 0.00000
536 -0.3631 0.00000
537 0.0429 0.00000
538 0.0056 0.00000
539 0.1484 0.00000
540 0.0431 0.00000
541 0.0632 0.00000
542 -0.0029 0.00000
543 0.0137 0.00000
544 0.1818 0.00000
545 0.1456 0.00000
546 -0.0558 0.00000
547 -0.1047 0.00000
548 -0.0386 0.00000
549 -0.0645 0.00000
550 0.0063 0.00000
551 0.0378 0.00000
552 0.0738 0.00000
553 -0.0713 0.00000
554 -0.0277 0.00000
555 0.0145 0.00000
556 -0.0856 0.00000
557 0.0699 0.00000
558 0.0421 0.00000
559 -0.0559 0.00000
560 0.0515 0.00000
561 0.0043 0.00000
562 0.0359 0.00000
563 0.0348 0.00000
564 0.0476 0.00000
565 -0.1487 0.00000
566 -0.1075 0.00000
567 0.1225 0.00000
568 0.0676 0.00000
569 0.0885 0.00000
570 0.0493 0.00000
571 0.1041 0.00000
572 0.1239 0.00000
573 0.0423 0.00000
574 -0.0853 0.00000
575 0.0274 0.00000
576 -0.0264 0.00000
577 0.1401 0.00000
578 0.0197 0.00000
579 0.0057 0.00000
580 0.0165 0.00000
581 -0.1596 0.00000
582 0.0671 0.00000
583 0.0300 0.00000
584 -0.6265 0.00000
585 0.0304 0.00000
586 -0.0119 0.00000
587 0.0056 0.00000
588 0.0136 0.00000
589 -0.0000 0.00000
590 0.1151 0.00000
591 0.0501 0.00000
592 0.0420 0.00000
593 0.0465 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0012 0.00000
597 -0.0043 0.00000
598 -0.0706 0.00000
599 0.0329 0.00000
600 -0.0880 0.00000
601 -0.0240 0.00000
602 0.0461 0.00000
603 -0.0889 0.00000
604 -0.0035 0.00000
605 -0.0188 0.00000
606 -0.0680 0.00000
607 -0.0017 0.00000
608 -0.0465 0.00000
609 -0.0153 0.00000
610 0.0120 0.00000
611 0.0471 0.00000
612 0.0209 0.00000
613 0.0007 0.00000
614 -0.0540 0.00000
615 -0.0794 0.00000
616 -0.0863 0.00000
617 0.0353 0.00000
618 -0.0386 0.00000
619 -0.0578 0.00000
620 0.1119 0.00000
621 0.0228 0.00000
622 -0.0293 0.00000
623 0.0389 0.00000
624 0.0352 0.00000
625 -0.1321 0.00000
626 -0.0567 0.00000
627 0.0423 0.00000
628 -0.0096 0.00000
629 -0.0202 0.00000
630 -0.0258 0.00000
631 -0.0760 0.00000
632 0.0225 0.00000
633 0.0782 0.00000
634 -0.1892 0.00000
635 -0.0532 0.00000
636 0.0081 0.00000
637 0.0248 0.00000
638 -0.1698 0.00000
639 -0.0274 0.00000
640 -0.0040 0.00000
641 -0.0728 0.00000
642 -0.0198 0.00000
643 0.0395 0.00000
644 0.0015 0.00000
645 0.0135 0.00000
646 -0.2612 0.00000
647 0.0663 0.00000
648 0.0281 0.00000
649 -0.1078 0.00000
650 -0.0379 0.00000
651 0.0190 0.00000
652 -0.0300 0.00000
653 -0.0195 0.00000
654 0.0458 0.00000
655 0.0080 0.00000
656 -0.0408 0.00000
657 -0.0244 0.00000
658 -0.0018 0.00000
659 -0.0028 0.00000
660 -0.0170 0.00000
661 -0.0143 0.00000
662 -0.0441 0.00000
663 0.0174 0.00000
664 -0.0141 0.00000
665 0.0518 0.00000
666 0.0144 0.00000
667 -0.0998 0.00000
668 -0.0678 0.00000
669 0.0473 0.00000
670 0.0355 0.00000
671 -0.0351 0.00000
672 -0.0125 0.00000
673 0.0361 0.00000
674 0.0138 0.00000
675 0.0036 0.00000
676 0.0161 0.00000
677 -0.0245 0.00000
678 -0.0418 0.00000
679 0.0196 0.00000
680 -0.0167 0.00000
681 -0.0204 0.00000
682 -0.1200 0.00000
683 0.0698 0.00000
684 -0.0061 0.00000
685 0.0284 0.00000
686 -0.0387 0.00000
687 -0.0280 0.00000
688 -0.0405 0.00000
689 0.0130 0.00000
690 0.0039 0.00000
691 -0.0239 0.00000
692 0.0252 0.00000
693 -0.0190 0.00000
694 0.0218 0.00000
695 0.0057 0.00000
696 -0.0302 0.00000
697 -0.0569 0.00000
698 -0.0805 0.00000
699 -0.0257 0.00000
700 -0.0922 0.00000
701 0.0127 0.00000
702 -0.0587 0.00000
703 -0.0141 0.00000
704 -0.0066 0.00000
705 -0.0564 0.00000
706 -0.0366 0.00000
707 -0.0043 0.00000
708 -0.0087 0.00000
709 0.0159 0.00000
710 -0.0375 0.00000
711 -0.0556 0.00000
712 0.0378 0.00000
713 -0.0783 0.00000
714 -0.0064 0.00000
715 0.0053 0.00000
716 0.0290 0.00000
717 0.0425 0.00000
718 0.0411 0.00000
719 0.0033 0.00000
720 -0.0092 0.00000
721 -0.0510 0.00000
722 0.0177 0.00000
723 0.0283 0.00000
724 -0.1517 0.00000
725 0.0082 0.00000
726 -0.0085 0.00000
727 0.0340 0.00000
728 -0.0204 0.00000
729 0.0282 0.00000
730 -0.1130 0.00000
731 -0.2028 0.00000
732 -0.0759 0.00000
733 -0.0075 0.00000
734 -0.0083 0.00000
735 -0.0029 0.00000
736 -0.0306 0.00000
737 0.0230 0.00000
738 -0.0143 0.00000
739 -0.0415 0.00000
740 0.0142 0.00000
741 -0.0306 0.00000
742 0.0051 0.00000
743 -0.0235 0.00000
744 -0.0181 0.00000
745 0.0531 0.00000
746 -0.0437 0.00000
747 -0.0648 0.00000
748 0.0192 0.00000
749 0.0037 0.00000
750 0.0248 0.00000
751 -0.0195 0.00000
752 -0.0402 0.00000
753 -0.0796 0.00000
754 0.1063 0.00000
755 0.0529 0.00000
756 -0.0177 0.00000
757 -0.0201 0.00000
758 0.0049 0.00000
759 -0.0758 0.00000
760 0.0437 0.00000
761 -0.0020 0.00000
762 0.0155 0.00000
763 -0.0404 0.00000
764 -0.0072 0.00000
765 0.0770 0.00000
766 0.0094 0.00000
767 -0.0585 0.00000
768 -0.0271 0.00000
769 0.0221 0.00000
770 -0.0228 0.00000
771 0.0132 0.00000
772 -0.0266 0.00000
773 0.0197 0.00000
774 -0.0585 0.00000
775 -0.0188 0.00000
776 -0.0379 0.00000
777 -0.0167 0.00000
778 -0.0614 0.00000
779 -0.0226 0.00000
780 -0.0423 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0560 0.00000
5 -0.1493 0.00000
6 -0.0669 0.00000
7 -0.0362 0.00000
8 -0.0298 0.00000
9 -0.1248 0.00000
10 -0.1129 0.00000
11 0.0123 0.00000
12 -0.0938 0.00000
13 0.1495 0.00000
14 0.0100 0.00000
15 -0.2158 0.00000
16 0.0235 0.00000
17 -0.0463 0.00000
18 -0.0374 0.00000
19 0.1005 0.00000
20 0.1602 0.00000
21 -0.0429 0.00000
22 0.0501 0.00000
23 0.0135 0.00000
24 0.0223 0.00000
25 -0.0823 0.00000
26 1.1914 0.00000
27 0.4054 0.00000
28 -0.1778 0.00000
29 0.1444 0.00000
30 0.5735 0.00000
31 -0.0626 0.00000
32 -0.1578 0.00000
33 -0.0129 0.00000
34 -0.0275 0.00000
35 -0.0242 0.00000
36 -0.1426 0.00000
37 -0.1419 0.00000
38 -0.1686 0.00000
39 -0.0745 0.00000
40 -0.0416 0.00000
41 -0.3180 0.00000
42 0.0855 0.00000
43 -0.0216 0.00000
44 0.1704 0.00000
45 1.6611 0.00000
46 0.2200 0.00000
47 -0.0876 0.00000
48 -0.0857 0.00000
49 -0.0740 0.00000
50 0.0402 0.00000
51 -0.0290 0.00000
52 0.0167 0.00000
53 0.0372 0.00000
54 -0.0127 0.00000
55 -0.0924 0.00000
56 0.0842 0.00000
57 0.1758 0.00000
58 -0.1661 0.00000
59 -0.2115 0.00000
60 0.5215 0.00000
61 0.6603 0.00000
62 -0.1428 0.00000
63 0.1829 0.00000
64 0.1157 0.00000
65 0.0071 0.00000
66 0.5734 0.00000
67 -0.1559 0.00000
68 0.1370 0.00000
69 -0.0944 0.00000
70 -0.0336 0.00000
71 -0.0808 0.00000
72 -0.0053 0.00000
73 -0.0540 0.00000
74 -0.0912 0.00000
75 0.3536 0.00000
76 0.0566 0.00000
77 0.1365 0.00000
78 -0.1882 0.00000
79 0.9073 0.00000
80 0.0732 0.00000
81 2.0005 0.00000
82 0.0256 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0074 0.00000
90 0.0419 0.00000
91 0.1584 0.00000
92 -0.0070 0.00000
93 0.1752 0.00000
94 0.1268 0.00000
95 0.1048 0.00000
96 -0.0005 0.00000
97 0.0158 0.00000
98 -0.7617 0.00000
99 -0.4104 0.00000
100 0.0427 0.00000
101 -0.5513 0.00000
102 -0.0432 0.00000
103 -0.3983 0.00000
104 0.0445 0.00000
105 0.0060 0.00000
106 0.0818 0.00000
107 0.0483 0.00000
108 0.1984 0.00000
109 0.0215 0.00000
110 0.0334 0.00000
111 0.0697 0.00000
112 -0.0266 0.00000
113 -0.0557 0.00000
114 -0.5680 0.00000
115 -0.0326 0.00000
116 0.0087 0.00000
117 -0.4591 0.00000
118 0.0571 0.00000
119 -0.0189 0.00000
120 0.0012 0.00000
121 -0.0114 0.00000
122 -0.0861 0.00000
123 0.1037 0.00000
124 0.1785 0.00000
125 -0.0498 0.00000
126 -0.5314 0.00000
127 0.0857 0.00000
128 -0.2208 0.00000
129 0.1210 0.00000
130 -0.1297 0.00000
131 -0.0930 0.00000
132 0.1911 0.00000
133 0.0975 0.00000
134 -0.1383 0.00000
135 -0.0005 0.00000
136 -0.1643 0.00000
137 0.0931 0.00000
138 -1.2795 0.00000
139 0.0532 0.00000
140 0.0779 0.00000
141 0.0894 0.00000
142 0.0844 0.00000
143 0.0930 0.00000
144 0.0932 0.00000
145 0.0953 0.00000
146 0.1156 0.00000
147 0.0338 0.00000
148 0.0128 0.00000
149 -0.1968 0.00000
150 0.0017 0.00000
151 -0.0463 0.00000
152 -0.0555 0.00000
153 -0.0944 0.00000
154 -0.0677 0.00000
155 -0.0178 0.00000
156 0.2826 0.00000
157 0.1284 0.00000
158 0.0011 0.00000
159 0.1830 0.00000
160 0.4514 0.00000
161 0.0549 0.00000
162 0.0578 0.00000
163 -0.1113 0.00000
164 -0.1743 0.00000
165 0.1108 0.00000
166 0.1963 0.00000
167 -0.1344 0.00000
168 0.0133 0.00000
169 0.2037 0.00000
170 0.0264 0.00000
171 0.1991 0.00000
172 0.0295 0.00000
173 -0.0059 0.00000
174 -0.0264 0.00000
175 0.0576 0.00000
176 -0.0850 0.00000
177 -0.0945 0.00000
178 0.0062 0.00000
179 0.3559 0.00000
180 0.2118 0.00000
181 -0.0514 0.00000
182 0.0813 0.00000
183 0.0830 0.00000
184 0.2486 0.00000
185 0.3105 0.00000
186 0.0454 0.00000
187 0.0560 0.00000
188 -0.1438 0.00000
189 0.0109 0.00000
190 0.0196 0.00000
191 0.0427 0.00000
192 -0.0363 0.00000
193 -0.0865 0.00000
194 -0.0061 0.00000
195 0.1622 0.00000
196 -0.0128 0.00000
197 -0.0063 0.00000
198 0.6480 0.00000
199 0.0208 0.00000
200 -0.0454 0.00000
201 0.0668 0.00000
202 0.0695 0.00000
203 -0.0181 0.00000
204 0.3458 0.00000
205 -0.0060 0.00000
206 0.0966 0.00000
207 0.0309 0.00000
208 0.0007 0.00000
209 -0.0301 0.00000
210 -0.0966 0.00000
211 0.0948 0.00000
212 0.0234 0.00000
213 -0.0318 0.00000
214 -0.0413 0.00000
215 0.0080 0.00000
216 0.4582 0.00000
217 -0.0365 0.00000
218 0.5745 0.00000
219 -0.0761 0.00000
220 0.0366 0.00000
221 -0.1178 0.00000
222 -0.0091 0.00000
223 -0.1277 0.00000
224 0.0563 0.00000
225 0.4648 0.00000
226 -0.2387 0.00000
227 0.1764 0.00000
228 -0.0241 0.00000
229 -0.0339 0.00000
230 -0.0654 0.00000
231 -0.0232 0.00000
232 0.2510 0.00000
233 0.1898 0.00000
234 0.1933 0.00000
235 0.0534 0.00000
236 0.0448 0.00000
237 0.0454 0.00000
238 0.0214 0.00000
239 0.0186 0.00000
240 0.1179 0.00000
241 0.1467 0.00000
242 0.0571 0.00000
243 -0.0658 0.00000
244 -0.0288 0.00000
245 -0.1463 0.00000
246 0.0094 0.00000
247 -0.0850 0.00000
248 -0.2641 0.00000
249 0.0206 0.00000
250 -0.0007 0.00000
251 -0.0720 0.00000
252 0.2264 0.00000
253 -0.1461 0.00000
254 -0.0398 0.00000
255 -0.0162 0.00000
256 -0.1149 0.00000
257 -0.0298 0.00000
258 -0.0256 0.00000
259 -0.0354 0.00000
260 -0.1893 0.00000
261 0.0069 0.00000
262 0.0258 0.00000
263 -0.0770 0.00000
264 0.0245 0.00000
265 -0.0407 0.00000
266 0.0275 0.00000
267 0.0348 0.00000
268 0.0008 0.00000
269 0.0320 0.00000
270 -0.0792 0.00000
271 -0.0169 0.00000
272 -0.1080 0.00000
273 0.0077 0.00000
274 -0.1095 0.00000
275 -0.0364 0.00000
276 -0.3060 0.00000
277 0.0121 0.00000
278 0.1305 0.00000
279 -0.1152 0.00000
280 -0.0338 0.00000
281 0.0464 0.00000
282 -0.0716 0.00000
283 0.0162 0.00000
284 0.0155 0.00000
285 0.0434 0.00000
286 0.0095 0.00000
287 -0.0022 0.00000
288 -0.0340 0.00000
289 0.0329 0.00000
290 -0.0992 0.00000
291 -0.0497 0.00000
292 -0.1106 0.00000
293 -0.1202 0.00000
294 -0.0303 0.00000
295 -0.0327 0.00000
296 0.0204 0.00000
297 -0.0435 0.00000
298 -0.1113 0.00000
299 -0.0055 0.00000
300 -0.0173 0.00000
301 -0.0621 0.00000
302 -0.1568 0.00000
303 0.0053 0.00000
304 -0.0621 0.00000
305 -0.0578 0.00000
306 -0.0383 0.00000
307 0.0430 0.00000
308 0.0431 0.00000
309 0.0444 0.00000
310 -0.0676 0.00000
311 0.0637 0.00000
312 -0.1382 0.00000
313 0.0372 0.00000
314 0.0039 0.00000
315 -0.0305 0.00000
316 -0.0315 0.00000
317 0.0004 0.00000
318 -0.0183 0.00000
319 0.0036 0.00000
320 -0.0686 0.00000
321 -0.0406 0.00000
322 -0.0109 0.00000
323 -0.0155 0.00000
324 0.0133 0.00000
325 -0.0396 0.00000
326 -0.1029 0.00000
327 -0.0202 0.00000
328 -0.0347 0.00000
329 -0.0311 0.00000
330 -0.0749 0.00000
331 -0.0409 0.00000
332 0.0808 0.00000
333 0.0216 0.00000
334 0.0062 0.00000
335 -0.1023 0.00000
336 0.0023 0.00000
337 -0.0190 0.00000
338 0.0124 0.00000
339 0.0384 0.00000
340 -0.2049 0.00000
341 -0.0202 0.00000
342 0.0681 0.00000
343 0.0200 0.00000
344 -0.0022 0.00000
345 -0.0369 0.00000
346 -0.0199 0.00000
347 -0.0913 0.00000
348 -0.0047 0.00000
349 0.0294 0.00000
350 -0.1016 0.00000
351 0.0226 0.00000
352 -0.0210 0.00000
353 0.0310 0.00000
354 0.1382 0.00000
355 -0.0816 0.00000
356 -0.0241 0.00000
357 0.0015 0.00000
358 -0.0286 0.00000
359 0.0073 0.00000
360 -0.0189 0.00000
361 -0.0031 0.00000
362 -0.0230 0.00000
363 0.0049 0.00000
364 0.0310 0.00000
365 -0.0567 0.00000
366 -0.0319 0.00000
367 0.0333 0.00000
368 0.0211 0.00000
369 -0.0526 0.00000
370 0.0076 0.00000
371 0.0422 0.00000
372 -0.1350 0.00000
373 0.0277 0.00000
374 0.0177 0.00000
375 0.0965 0.00000
376 0.0346 0.00000
377 0.0369 0.00000
378 0.1139 0.00000
379 0.0048 0.00000
380 0.0096 0.00000
381 0.0663 0.00000
382 0.2783 0.00000
383 0.0791 0.00000
384 -0.0354 0.00000
385 0.0366 0.00000
386 -0.2520 0.00000
387 0.0062 0.00000
388 -0.0145 0.00000
389 -0.1223 0.00000
390 -0.0419 0.00000
391 -0.0160 0.00000
392 0.0252 0.00000
393 0.0087 0.00000
394 -0.0180 0.00000
395 0.0118 0.00000
396 -0.0349 0.00000
397 -0.0124 0.00000
398 0.0864 0.00000
399 0.0137 0.00000
400 0.0251 0.00000
401 -0.0842 0.00000
402 0.0240 0.00000
403 0.0263 0.00000
404 0.0006 0.00000
405 -0.0324 0.00000
406 -0.0253 0.00000
407 -0.1142 0.00000
408 -0.0194 0.00000
409 0.0215 0.00000
410 0.0625 0.00000
411 -0.0032 0.00000
412 0.0035 0.00000
413 0.0222 0.00000
414 0.0142 0.00000
415 0.1467 0.00000
416 0.0349 0.00000
417 -0.0214 0.00000
418 0.0615 0.00000
419 0.0545 0.00000
420 0.0596 0.00000
421 0.0061 0.00000
422 0.0008 0.00000
423 0.0990 0.00000
424 0.0491 0.00000
425 0.1006 0.00000
426 0.0232 0.00000
427 -0.0189 0.00000
428 0.0758 0.00000
429 0.0156 0.00000
430 0.0243 0.00000
431 -0.0333 0.00000
432 0.0536 0.00000
433 0.0467 0.00000
434 0.0711 0.00000
435 -0.0218 0.00000
436 0.0305 0.00000
437 0.0594 0.00000
438 0.0304 0.00000
439 -0.0189 0.00000
440 -0.0413 0.00000
441 -0.0232 0.00000
442 0.0558 0.00000
443 -0.0264 0.00000
444 -0.0539 0.00000
445 0.0028 0.00000
446 0.1001 0.00000
447 0.0556 0.00000
448 0.2371 0.00000
449 0.0078 0.00000
450 0.2253 0.00000
451 -0.0284 0.00000
452 0.0231 0.00000
453 0.0784 0.00000
454 0.0455 0.00000
455 0.1014 0.00000
456 0.0191 0.00000
457 0.0008 0.00000
458 0.0259 0.00000
459 0.0417 0.00000
460 0.0566 0.00000
461 0.0067 0.00000
462 -0.0082 0.00000
463 0.0035 0.00000
464 0.0465 0.00000
465 0.0054 0.00000
466 0.0699 0.00000
467 0.0971 0.00000
468 -0.0784 0.00000
469 0.1792 0.00000
470 0.0841 0.00000
471 0.0496 0.00000
472 0.0617 0.00000
473 0.0750 0.00000
474 0.0065 0.00000
475 0.0657 0.00000
476 0.1062 0.00000
477 0.0747 0.00000
478 0.0083 0.00000
479 0.1346 0.00000
480 0.0812 0.00000
481 -0.0078 0.00000
482 0.0460 0.00000
483 0.0608 0.00000
484 0.1075 0.00000
485 0.0702 0.00000
486 -0.0320 0.00000
487 0.0239 0.00000
488 0.1407 0.00000
489 0.0033 0.00000
490 0.0738 0.00000
491 0.1116 0.00000
492 0.0010 0.00000
493 -0.0423 0.00000
494 0.0190 0.00000
495 0.0078 0.00000
496 -0.0110 0.00000
497 0.0391 0.00000
498 0.0326 0.00000
499 0.0171 0.00000
500 -0.0017 0.00000
501 0.0198 0.00000
502 0.0299 0.00000
503 -0.0152 0.00000
504 0.0775 0.00000
505 0.0784 0.00000
506 0.1057 0.00000
507 0.0905 0.00000
508 -0.0430 0.00000
509 -0.0026 0.00000
510 -0.0138 0.00000
511 0.0933 0.00000
512 0.1166 0.00000
513 -0.0251 0.00000
514 0.0183 0.00000
515 0.0259 0.00000
516 0.1410 0.00000
517 0.0262 0.00000
518 -0.0099 0.00000
519 -0.0600 0.00000
520 0.0133 0.00000
521 -0.0103 0.00000
522 -0.0525 0.00000
523 0.1009 0.00000
524 0.0433 0.00000
525 0.0099 0.00000
526 0.0560 0.00000
527 0.0533 0.00000
528 0.0322 0.00000
529 0.1906 0.00000
530 0.0537 0.00000
531 -0.0105 0.00000
532 -0.0039 0.00000
533 0.0960 0.00000
534 -0.6042 0.00000
535 0.0601 0.00000
536 -0.1942 0.00000
537 -0.1380 0.00000
538 0.0823 0.00000
539 0.0143 0.00000
540 -0.0157 0.00000
541 0.3163 0.00000
542 -0.0415 0.00000
543 0.0241 0.00000
544 0.1000 0.00000
545 -0.0410 0.00000
546 0.0735 0.00000
547 -0.0366 0.00000
548 0.0283 0.00000
549 -0.0660 0.00000
550 0.0579 0.00000
551 0.1030 0.00000
552 -0.0634 0.00000
553 0.0188 0.00000
554 0.0498 0.00000
555 -0.0109 0.00000
556 0.0500 0.00000
557 0.0208 0.00000
558 0.1104 0.00000
559 0.0080 0.00000
560 -0.1088 0.00000
561 0.0354 0.00000
562 -0.0297 0.00000
563 0.0311 0.00000
564 0.0014 0.00000
565 -0.0235 0.00000
566 -0.1479 0.00000
567 0.2482 0.00000
568 0.1688 0.00000
569 -0.0339 0.00000
570 0.0318 0.00000
571 0.0358 0.00000
572 0.0092 0.00000
573 0.0378 0.00000
574 0.0080 0.00000
575 -0.0171 0.00000
576 -0.0804 0.00000
577 0.2115 0.00000
578 0.1010 0.00000
579 -0.0337 0.00000
580 -0.0980 0.00000
581 -0.0714 0.00000
582 0.0474 0.00000
583 -0.1523 0.00000
584 -0.4947 0.00000
585 0.0287 0.00000
586 -0.0042 0.00000
587 0.0048 0.00000
588 0.0346 0.00000
589 0.0009 0.00000
590 0.1444 0.00000
591 0.0102 0.00000
592 0.0493 0.00000
593 0.0462 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0013 0.00000
597 -0.0041 0.00000
598 -0.0797 0.00000
599 0.0046 0.00000
600 -0.0495 0.00000
601 -0.0266 0.00000
602 -0.0388 0.00000
603 0.0218 0.00000
604 -0.0019 0.00000
605 -0.0069 0.00000
606 -0.0425 0.00000
607 -0.0671 0.00000
608 0.0696 0.00000
609 -0.0414 0.00000
610 0.0105 0.00000
611 -0.0492 0.00000
612 0.0178 0.00000
613 -0.1573 0.00000
614 0.0099 0.00000
615 -0.0199 0.00000
616 0.0561 0.00000
617 0.0638 0.00000
618 -0.0750 0.00000
619 0.0273 0.00000
620 -0.0063 0.00000
621 -0.1096 0.00000
622 0.0255 0.00000
623 -0.0081 0.00000
624 -0.0541 0.00000
625 -0.0156 0.00000
626 0.0423 0.00000
627 -0.0538 0.00000
628 0.0128 0.00000
629 -0.0152 0.00000
630 -0.0685 0.00000
631 0.0301 0.00000
632 -0.0099 0.00000
633 -0.0862 0.00000
634 -0.0205 0.00000
635 -0.0005 0.00000
636 -0.0010 0.00000
637 -0.2562 0.00000
638 0.0392 0.00000
639 -0.0743 0.00000
640 -0.0279 0.00000
641 -0.0451 0.00000
642 0.0186 0.00000
643 0.0070 0.00000
644 -0.0197 0.00000
645 0.0078 0.00000
646 0.0027 0.00000
647 -0.0230 0.00000
648 -0.0394 0.00000
649 -0.0473 0.00000
650 -0.0005 0.00000
651 0.0550 0.00000
652 -0.1011 0.00000
653 -0.0572 0.00000
654 -0.0510 0.00000
655 0.0339 0.00000
656 0.0108 0.00000
657 -0.0155 0.00000
658 -0.0035 0.00000
659 -0.0456 0.00000
660 0.0259 0.00000
661 -0.0078 0.00000
662 -0.0156 0.00000
663 -0.0734 0.00000
664 0.0406 0.00000
665 0.0085 0.00000
666 -0.0039 0.00000
667 0.0341 0.00000
668 -0.0475 0.00000
669 -0.0917 0.00000
670 -0.0095 0.00000
671 -0.0587 0.00000
672 -0.0138 0.00000
673 -0.1293 0.00000
674 0.0340 0.00000
675 0.0271 0.00000
676 -0.0546 0.00000
677 0.0382 0.00000
678 0.0433 0.00000
679 0.0270 0.00000
680 0.0441 0.00000
681 0.0137 0.00000
682 -0.0326 0.00000
683 -0.0507 0.00000
684 0.0309 0.00000
685 0.0209 0.00000
686 -0.1464 0.00000
687 0.0794 0.00000
688 -0.0293 0.00000
689 0.0087 0.00000
690 0.0555 0.00000
691 0.0252 0.00000
692 -0.0379 0.00000
693 -0.0406 0.00000
694 0.0142 0.00000
695 0.0746 0.00000
696 -0.1680 0.00000
697 -0.0076 0.00000
698 -0.0338 0.00000
699 0.0214 0.00000
700 -0.0976 0.00000
701 0.0126 0.00000
702 0.0240 0.00000
703 -0.1128 0.00000
704 -0.1085 0.00000
705 -0.0051 0.00000
706 0.0600 0.00000
707 0.0273 0.00000
708 -0.0140 0.00000
709 -0.0401 0.00000
710 0.0204 0.00000
711 0.0338 0.00000
712 -0.0334 0.00000
713 -0.0353 0.00000
714 -0.0034 0.00000
715 -0.0041 0.00000
716 -0.0649 0.00000
717 -0.0074 0.00000
718 0.0324 0.00000
719 -0.0131 0.00000
720 -0.0389 0.00000
721 -0.0265 0.00000
722 -0.0497 0.00000
723 0.0408 0.00000
724 -0.0267 0.00000
725 -0.0071 0.00000
726 0.0182 0.00000
727 0.0237 0.00000
728 -0.0825 0.00000
729 -0.0181 0.00000
730 -0.0572 0.00000
731 0.0651 0.00000
732 -0.0968 0.00000
733 0.0567 0.00000
734 -0.1406 0.00000
735 0.0206 0.00000
736 -0.0450 0.00000
737 -0.1270 0.00000
738 -0.0394 0.00000
739 0.0120 0.00000
740 -0.0365 0.00000
741 -0.0222 0.00000
742 0.0296 0.00000
743 -0.0335 0.00000
744 -0.1468 0.00000
745 -0.0087 0.00000
746 -0.0841 0.00000
747 -0.0464 0.00000
748 -0.0711 0.00000
749 -0.0025 0.00000
750 -0.0589 0.00000
751 0.0927 0.00000
752 -0.1158 0.00000
753 0.0008 0.00000
754 -0.0063 0.00000
755 0.0947 0.00000
756 0.0153 0.00000
757 0.0430 0.00000
758 0.0729 0.00000
759 0.0973 0.00000
760 -0.0720 0.00000
761 -0.0428 0.00000
762 -0.0158 0.00000
763 -0.0661 0.00000
764 0.0295 0.00000
765 -0.0027 0.00000
766 -0.0965 0.00000
767 -0.0490 0.00000
768 -0.0077 0.00000
769 -0.0282 0.00000
770 0.0383 0.00000
771 0.0397 0.00000
772 -0.0768 0.00000
773 -0.0279 0.00000
774 0.0075 0.00000
775 -0.0392 0.00000
776 0.0037 0.00000
777 0.0316 0.00000
778 0.0150 0.00000
779 -0.0488 0.00000
780 -0.0048 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0579 0.00000
5 -0.1473 0.00000
6 -0.0669 0.00000
7 -0.0367 0.00000
8 -0.0291 0.00000
9 -0.1242 0.00000
10 -0.1149 0.00000
11 0.0122 0.00000
12 -0.0918 0.00000
13 0.1494 0.00000
14 0.0103 0.00000
15 -0.2161 0.00000
16 0.0128 0.00000
17 -0.0209 0.00000
18 -0.0567 0.00000
19 0.0654 0.00000
20 0.1822 0.00000
21 -0.0430 0.00000
22 0.0571 0.00000
23 0.0022 0.00000
24 0.0547 0.00000
25 0.0026 0.00000
26 0.6100 0.00000
27 0.8985 0.00000
28 -0.1488 0.00000
29 -0.0185 0.00000
30 0.6766 0.00000
31 -0.0230 0.00000
32 -0.1839 0.00000
33 -0.0117 0.00000
34 -0.0221 0.00000
35 -0.0255 0.00000
36 -0.1468 0.00000
37 -0.1209 0.00000
38 -0.1785 0.00000
39 -0.0245 0.00000
40 -0.0967 0.00000
41 -0.3075 0.00000
42 -0.0510 0.00000
43 -0.0280 0.00000
44 1.2605 0.00000
45 0.6990 0.00000
46 0.2460 0.00000
47 -0.0947 0.00000
48 -0.0769 0.00000
49 -0.1057 0.00000
50 0.0444 0.00000
51 -0.0236 0.00000
52 0.0150 0.00000
53 0.0431 0.00000
54 -0.0946 0.00000
55 -0.0081 0.00000
56 0.0914 0.00000
57 0.1778 0.00000
58 -0.1874 0.00000
59 -0.1792 0.00000
60 0.5912 0.00000
61 -0.0924 0.00000
62 0.8504 0.00000
63 -0.0608 0.00000
64 0.0098 0.00000
65 -0.1867 0.00000
66 0.8038 0.00000
67 -0.0083 0.00000
68 -0.0371 0.00000
69 -0.0870 0.00000
70 -0.0936 0.00000
71 -0.0205 0.00000
72 -0.0055 0.00000
73 -0.0587 0.00000
74 -0.1143 0.00000
75 0.3782 0.00000
76 0.0324 0.00000
77 0.1493 0.00000
78 -0.3088 0.00000
79 1.0390 0.00000
80 0.0716 0.00000
81 2.0005 0.00000
82 0.0263 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0099 0.00000
90 0.0497 0.00000
91 0.0980 0.00000
92 0.0470 0.00000
93 0.1753 0.00000
94 0.1232 0.00000
95 0.0863 0.00000
96 0.1143 0.00000
97 -0.0768 0.00000
98 -0.7475 0.00000
99 -0.1454 0.00000
100 -0.4699 0.00000
101 -0.3077 0.00000
102 -0.0989 0.00000
103 -0.3595 0.00000
104 0.0658 0.00000
105 -0.0208 0.00000
106 0.0990 0.00000
107 -0.0376 0.00000
108 0.1557 0.00000
109 0.1094 0.00000
110 0.0124 0.00000
111 0.0956 0.00000
112 -0.0193 0.00000
113 0.0697 0.00000
114 0.0132 0.00000
115 -0.7465 0.00000
116 0.0002 0.00000
117 -0.4450 0.00000
118 0.0582 0.00000
119 -0.0908 0.00000
120 0.0459 0.00000
121 0.0353 0.00000
122 -0.0572 0.00000
123 0.0620 0.00000
124 0.1921 0.00000
125 -0.0525 0.00000
126 -0.5584 0.00000
127 0.0854 0.00000
128 -0.2321 0.00000
129 0.1667 0.00000
130 -0.0842 0.00000
131 -0.0416 0.00000
132 0.0945 0.00000
133 0.1043 0.00000
134 -0.1453 0.00000
135 -0.0058 0.00000
136 -0.1112 0.00000
137 0.1018 0.00000
138 -1.3022 0.00000
139 0.0192 0.00000
140 0.0761 0.00000
141 0.0915 0.00000
142 0.0838 0.00000
143 0.0934 0.00000
144 0.0932 0.00000
145 0.0938 0.00000
146 0.1158 0.00000
147 0.0352 0.00000
148 0.0004 0.00000
149 -0.1939 0.00000
150 0.0131 0.00000
151 -0.0785 0.00000
152 -0.0356 0.00000
153 -0.0702 0.00000
154 0.1208 0.00000
155 0.0500 0.00000
156 -0.0628 0.00000
157 0.1282 0.00000
158 0.1562 0.00000
159 0.2580 0.00000
160 0.2040 0.00000
161 -0.0140 0.00000
162 0.0173 0.00000
163 -0.1618 0.00000
164 0.2077 0.00000
165 0.0101 0.00000
166 0.0194 0.00000
167 0.2745 0.00000
168 -0.0628 0.00000
169 0.0362 0.00000
170 0.1381 0.00000
171 0.0844 0.00000
172 -0.0188 0.00000
173 0.0762 0.00000
174 -0.1123 0.00000
175 -0.0629 0.00000
176 0.0430 0.00000
177 -0.0320 0.00000
178 0.1790 0.00000
179 0.1115 0.00000
180 0.0332 0.00000
181 0.2851 0.00000
182 0.0762 0.00000
183 0.0152 0.00000
184 0.1395 0.00000
185 0.2755 0.00000
186 0.0999 0.00000
187 0.0664 0.00000
188 -0.0422 0.00000
189 0.0014 0.00000
190 -0.0119 0.00000
191 -0.0035 0.00000
192 -0.0504 0.00000
193 0.0303 0.00000
194 -0.0140 0.00000
195 -0.0078 0.00000
196 -0.0351 0.00000
197 0.0390 0.00000
198 0.4961 0.00000
199 0.2813 0.00000
200 -0.0066 0.00000
201 0.3065 0.00000
202 -0.0091 0.00000
203 0.1758 0.00000
204 -0.0410 0.00000
205 0.0099 0.00000
206 -0.0942 0.00000
207 0.1247 0.00000
208 0.0781 0.00000
209 -0.0856 0.00000
210 -0.0859 0.00000
211 0.0195 0.00000
212 -0.0178 0.00000
213 0.1554 0.00000
214 0.0029 0.00000
215 0.0220 0.00000
216 0.3607 0.00000
217 0.6174 0.00000
218 -0.0607 0.00000
219 -0.0232 0.00000
220 0.0381 0.00000
221 -0.2331 0.00000
222 -0.0635 0.00000
223 -0.0862 0.00000
224 -0.0163 0.00000
225 0.2530 0.00000
226 -0.0532 0.00000
227 0.2957 0.00000
228 -0.0241 0.00000
229 -0.0261 0.00000
230 -0.0711 0.00000
231 -0.0216 0.00000
232 0.2301 0.00000
233 0.2068 0.00000
234 0.2119 0.00000
235 0.0553 0.00000
236 0.0332 0.00000
237 0.0354 0.00000
238 0.1063 0.00000
239 0.0244 0.00000
240 0.0317 0.00000
241 0.0765 0.00000
242 0.0014 0.00000
243 0.1185 0.00000
244 -0.0631 0.00000
245 -0.1075 0.00000
246 -0.0821 0.00000
247 0.0017 0.00000
248 -0.1991 0.00000
249 -0.0619 0.00000
250 -0.1245 0.00000
251 0.0057 0.00000
252 0.1213 0.00000
253 0.0357 0.00000
254 -0.0402 0.00000
255 -0.1545 0.00000
256 -0.0448 0.00000
257 -0.0875 0.00000
258 0.0008 0.00000
259 -0.0291 0.00000
260 -0.0039 0.00000
261 -0.0427 0.00000
262 -0.0147 0.00000
263 -0.0429 0.00000
264 -0.0468 0.00000
265 -0.0130 0.00000
266 -0.0448 0.00000
267 0.0115 0.00000
268 -0.0499 0.00000
269 0.0173 0.00000
270 0.0434 0.00000
271 -0.0391 0.00000
272 -0.0657 0.00000
273 -0.1469 0.00000
274 -0.1987 0.00000
275 0.0218 0.00000
276 -0.0667 0.00000
277 -0.0547 0.00000
278 0.0881 0.00000
279 0.0193 0.00000
280 0.0373 0.00000
281 -0.0463 0.00000
282 0.0323 0.00000
283 -0.0672 0.00000
284 -0.0520 0.00000
285 0.0598 0.00000
286 0.0239 0.00000
287 -0.0425 0.00000
288 -0.0426 0.00000
289 -0.1977 0.00000
290 -0.0619 0.00000
291 -0.0288 0.00000
292 -0.0455 0.00000
293 0.0218 0.00000
294 -0.0553 0.00000
295 -0.0360 0.00000
296 0.0364 0.00000
297 -0.0032 0.00000
298 -0.1311 0.00000
299 -0.0422 0.00000
300 -0.0434 0.00000
301 -0.0435 0.00000
302 -0.0347 0.00000
303 -0.1461 0.00000
304 -0.2165 0.00000
305 -0.0141 0.00000
306 -0.0038 0.00000
307 -0.1173 0.00000
308 -0.0161 0.00000
309 0.1009 0.00000
310 -0.0680 0.00000
311 0.1049 0.00000
312 0.0814 0.00000
313 0.0175 0.00000
314 -0.0324 0.00000
315 -0.0188 0.00000
316 -0.0313 0.00000
317 -0.1200 0.00000
318 0.0480 0.00000
319 -0.0772 0.00000
320 0.0397 0.00000
321 0.0397 0.00000
322 -0.0535 0.00000
323 -0.0220 0.00000
324 0.0833 0.00000
325 -0.0738 0.00000
326 0.0078 0.00000
327 -0.0896 0.00000
328 -0.0107 0.00000
329 0.0140 0.00000
330 -0.0076 0.00000
331 0.0511 0.00000
332 -0.0451 0.00000
333 -0.0397 0.00000
334 -0.0754 0.00000
335 0.0514 0.00000
336 -0.2264 0.00000
337 0.0193 0.00000
338 -0.1115 0.00000
339 0.0323 0.00000
340 -0.0406 0.00000
341 0.0416 0.00000
342 0.0182 0.00000
343 -0.0081 0.00000
344 -0.0526 0.00000
345 -0.0111 0.00000
346 -0.0252 0.00000
347 0.0388 0.00000
348 0.0678 0.00000
349 -0.0352 0.00000
350 -0.0427 0.00000
351 -0.0919 0.00000
352 -0.0367 0.00000
353 -0.0214 0.00000
354 -0.0159 0.00000
355 0.1348 0.00000
356 -0.0504 0.00000
357 0.0453 0.00000
358 -0.0472 0.00000
359 0.0145 0.00000
360 -0.0346 0.00000
361 -0.0890 0.00000
362 0.0301 0.00000
363 0.0275 0.00000
364 -0.0336 0.00000
365 -0.0736 0.00000
366 -0.0192 0.00000
367 0.0220 0.00000
368 0.0427 0.00000
369 -0.0564 0.00000
370 -0.0052 0.00000
371 -0.0260 0.00000
372 0.1369 0.00000
373 -0.0084 0.00000
374 0.0153 0.00000
375 -0.0096 0.00000
376 0.0599 0.00000
377 -0.0027 0.00000
378 0.0528 0.00000
379 0.0412 0.00000
380 0.0570 0.00000
381 0.0752 0.00000
382 0.1737 0.00000
383 -0.0126 0.00000
384 0.0889 0.00000
385 -0.0117 0.00000
386 -0.0016 0.00000
387 -0.0204 0.00000
388 -0.1251 0.00000
389 -0.0026 0.00000
390 0.0215 0.00000
391 -0.0242 0.00000
392 0.0384 0.00000
393 -0.0431 0.00000
394 -0.0842 0.00000
395 0.0067 0.00000
396 -0.0171 0.00000
397 0.0733 0.00000
398 -0.0790 0.00000
399 0.0783 0.00000
400 0.0051 0.00000
401 -0.0611 0.00000
402 -0.1044 0.00000
403 -0.0054 0.00000
404 -0.0704 0.00000
405 -0.0050 0.00000
406 -0.0011 0.00000
407 -0.0096 0.00000
408 -0.0724 0.00000
409 -0.0150 0.00000
410 0.0517 0.00000
411 -0.0582 0.00000
412 0.0289 0.00000
413 0.0486 0.00000
414 0.0408 0.00000
415 0.0678 0.00000
416 0.2001 0.00000
417 -0.0265 0.00000
418 0.0935 0.00000
419 0.0332 0.00000
420 0.0033 0.00000
421 0.0495 0.00000
422 -0.0433 0.00000
423 -0.0105 0.00000
424 -0.0152 0.00000
425 -0.0049 0.00000
426 0.0665 0.00000
427 0.0421 0.00000
428 0.0396 0.00000
429 0.1824 0.00000
430 0.0197 0.00000
431 -0.0536 0.00000
432 0.0178 0.00000
433 0.0706 0.00000
434 -0.0061 0.00000
435 0.0602 0.00000
436 0.0305 0.00000
437 -0.0418 0.00000
438 0.0870 0.00000
439 -0.0277 0.00000
440 0.0612 0.00000
441 0.0780 0.00000
442 0.0319 0.00000
443 0.1778 0.00000
444 -0.0842 0.00000
445 -0.0251 0.00000
446 0.0656 0.00000
447 0.0662 0.00000
448 0.0201 0.00000
449 0.2170 0.00000
450 0.0045 0.00000
451 0.0532 0.00000
452 0.0618 0.00000
453 0.0295 0.00000
454 0.0596 0.00000
455 0.0455 0.00000
456 0.2366 0.00000
457 -0.0292 0.00000
458 0.0055 0.00000
459 0.0043 0.00000
460 -0.0381 0.00000
461 0.0656 0.00000
462 -0.0399 0.00000
463 -0.0308 0.00000
464 0.0116 0.00000
465 0.0919 0.00000
466 -0.0201 0.00000
467 0.0239 0.00000
468 -0.0003 0.00000
469 -0.0275 0.00000
470 0.2361 0.00000
471 0.0213 0.00000
472 0.0503 0.00000
473 0.1288 0.00000
474 0.1955 0.00000
475 0.1022 0.00000
476 -0.0579 0.00000
477 0.2781 0.00000
478 0.0159 0.00000
479 0.0493 0.00000
480 -0.0459 0.00000
481 0.0758 0.00000
482 -0.0200 0.00000
483 0.1766 0.00000
484 0.0296 0.00000
485 -0.0018 0.00000
486 -0.0178 0.00000
487 0.0087 0.00000
488 -0.0046 0.00000
489 0.2405 0.00000
490 -0.0025 0.00000
491 0.0372 0.00000
492 0.0343 0.00000
493 0.0697 0.00000
494 0.0641 0.00000
495 -0.0162 0.00000
496 -0.0280 0.00000
497 0.0296 0.00000
498 -0.0744 0.00000
499 0.0426 0.00000
500 -0.0510 0.00000
501 0.0820 0.00000
502 0.1518 0.00000
503 0.0562 0.00000
504 -0.0164 0.00000
505 0.0286 0.00000
506 0.1010 0.00000
507 0.0381 0.00000
508 -0.0109 0.00000
509 0.0911 0.00000
510 0.0180 0.00000
511 0.0423 0.00000
512 -0.0128 0.00000
513 0.0379 0.00000
514 -0.0437 0.00000
515 0.0329 0.00000
516 0.0506 0.00000
517 0.1239 0.00000
518 0.0544 0.00000
519 -0.1390 0.00000
520 0.0142 0.00000
521 -0.0617 0.00000
522 0.1290 0.00000
523 0.1169 0.00000
524 0.0559 0.00000
525 0.1273 0.00000
526 0.0323 0.00000
527 -0.0059 0.00000
528 -0.0246 0.00000
529 0.0861 0.00000
530 -0.0635 0.00000
531 0.0345 0.00000
532 0.1637 0.00000
533 -0.1665 0.00000
534 -0.1764 0.00000
535 -0.2137 0.00000
536 -0.0369 0.00000
537 0.1452 0.00000
538 0.0514 0.00000
539 -0.0139 0.00000
540 -0.0911 0.00000
541 0.0341 0.00000
542 0.1153 0.00000
543 -0.0264 0.00000
544 0.0026 0.00000
545 0.0561 0.00000
546 0.0439 0.00000
547 -0.1183 0.00000
548 0.0486 0.00000
549 -0.0134 0.00000
550 -0.0054 0.00000
551 0.0159 0.00000
552 0.0766 0.00000
553 0.0733 0.00000
554 -0.0335 0.00000
555 0.0332 0.00000
556 0.0425 0.00000
557 0.0013 0.00000
558 0.0144 0.00000
559 0.0313 0.00000
560 0.0231 0.00000
561 -0.1226 0.00000
562 0.0269 0.00000
563 0.0723 0.00000
564 0.0268 0.00000
565 -0.0244 0.00000
566 -0.1775 0.00000
567 -0.0776 0.00000
568 0.0812 0.00000
569 0.1750 0.00000
570 0.0985 0.00000
571 0.0964 0.00000
572 0.0115 0.00000
573 0.0761 0.00000
574 0.1116 0.00000
575 -0.0571 0.00000
576 -0.0462 0.00000
577 0.0807 0.00000
578 -0.0538 0.00000
579 0.1683 0.00000
580 0.0835 0.00000
581 0.1144 0.00000
582 -0.4044 0.00000
583 0.0549 0.00000
584 -0.5987 0.00000
585 0.0300 0.00000
586 0.0034 0.00000
587 0.0045 0.00000
588 0.0174 0.00000
589 -0.0016 0.00000
590 0.1124 0.00000
591 0.0513 0.00000
592 0.0442 0.00000
593 0.0465 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0012 0.00000
597 -0.0043 0.00000
598 -0.0709 0.00000
599 0.0113 0.00000
600 -0.0594 0.00000
601 -0.0106 0.00000
602 0.0339 0.00000
603 -0.0981 0.00000
604 0.0143 0.00000
605 0.0049 0.00000
606 -0.0888 0.00000
607 -0.0426 0.00000
608 -0.0963 0.00000
609 0.0190 0.00000
610 0.0440 0.00000
611 0.0426 0.00000
612 0.0510 0.00000
613 -0.0301 0.00000
614 -0.0801 0.00000
615 -0.0343 0.00000
616 -0.0805 0.00000
617 0.0047 0.00000
618 0.0321 0.00000
619 -0.0146 0.00000
620 -0.0124 0.00000
621 0.0097 0.00000
622 0.0718 0.00000
623 -0.0316 0.00000
624 -0.0836 0.00000
625 0.0323 0.00000
626 -0.0132 0.00000
627 -0.0340 0.00000
628 -0.0213 0.00000
629 -0.0055 0.00000
630 0.0148 0.00000
631 -0.1018 0.00000
632 -0.0403 0.00000
633 -0.1027 0.00000
634 0.0084 0.00000
635 0.0314 0.00000
636 -0.0184 0.00000
637 0.0451 0.00000
638 -0.1101 0.00000
639 -0.0642 0.00000
640 -0.0286 0.00000
641 -0.2826 0.00000
642 0.0169 0.00000
643 0.0284 0.00000
644 0.0217 0.00000
645 0.0017 0.00000
646 0.0155 0.00000
647 -0.0248 0.00000
648 0.0404 0.00000
649 0.0183 0.00000
650 -0.0552 0.00000
651 -0.0660 0.00000
652 -0.0617 0.00000
653 0.0331 0.00000
654 -0.0586 0.00000
655 -0.0414 0.00000
656 -0.0177 0.00000
657 -0.0766 0.00000
658 0.0189 0.00000
659 -0.0007 0.00000
660 -0.0060 0.00000
661 -0.0285 0.00000
662 0.0000 0.00000
663 0.0750 0.00000
664 -0.0282 0.00000
665 -0.0621 0.00000
666 0.0090 0.00000
667 0.0119 0.00000
668 0.0189 0.00000
669 -0.0278 0.00000
670 -0.0064 0.00000
671 0.0340 0.00000
672 0.0244 0.00000
673 -0.0373 0.00000
674 -0.0853 0.00000
675 0.0101 0.00000
676 -0.0021 0.00000
677 -0.0185 0.00000
678 -0.0257 0.00000
679 -0.0892 0.00000
680 -0.0309 0.00000
681 -0.0104 0.00000
682 -0.0331 0.00000
683 -0.0362 0.00000
684 0.0498 0.00000
685 0.0096 0.00000
686 0.1518 0.00000
687 0.0061 0.00000
688 -0.0184 0.00000
689 0.0252 0.00000
690 -0.0333 0.00000
691 0.0230 0.00000
692 -0.0292 0.00000
693 0.0161 0.00000
694 -0.0741 0.00000
695 0.0099 0.00000
696 -0.0134 0.00000
697 -0.0642 0.00000
698 -0.0524 0.00000
699 0.0267 0.00000
700 0.0019 0.00000
701 -0.0664 0.00000
702 0.0058 0.00000
703 -0.0962 0.00000
704 -0.0092 0.00000
705 0.0093 0.00000
706 -0.0593 0.00000
707 -0.0223 0.00000
708 -0.0523 0.00000
709 -0.0167 0.00000
710 -0.0908 0.00000
711 -0.0289 0.00000
712 -0.0101 0.00000
713 -0.0235 0.00000
714 0.0294 0.00000
715 -0.0276 0.00000
716 -0.0540 0.00000
717 0.0459 0.00000
718 -0.0409 0.00000
719 -0.0087 0.00000
720 -0.0660 0.00000
721 0.0033 0.00000
722 -0.0017 0.00000
723 0.0056 0.00000
724 -0.0519 0.00000
725 0.0037 0.00000
726 -0.0186 0.00000
727 -0.0547 0.00000
728 0.0361 0.00000
729 0.0306 0.00000
730 -0.0321 0.00000
731 -0.0065 0.00000
732 -0.0573 0.00000
733 0.0365 0.00000
734 0.0095 0.00000
735 -0.0694 0.00000
736 -0.0088 0.00000
737 -0.0201 0.00000
738 -0.0526 0.00000
739 0.0583 0.00000
740 -0.0432 0.00000
741 -0.0461 0.00000
742 0.0207 0.00000
743 -0.0401 0.00000
744 -0.0753 0.00000
745 -0.0896 0.00000
746 -0.0735 0.00000
747 -0.0171 0.00000
748 0.0319 0.00000
749 -0.0280 0.00000
750 -0.0407 0.00000
751 -0.0251 0.00000
752 0.0296 0.00000
753 0.0544 0.00000
754 0.0184 0.00000
755 0.0055 0.00000
756 -0.0098 0.00000
757 0.0339 0.00000
758 -0.0062 0.00000
759 0.0200 0.00000
760 -0.0684 0.00000
761 -0.0002 0.00000
762 0.0061 0.00000
763 -0.0632 0.00000
764 0.0584 0.00000
765 0.0174 0.00000
766 -0.1796 0.00000
767 0.0584 0.00000
768 -0.0801 0.00000
769 -0.0433 0.00000
770 0.0337 0.00000
771 -0.0311 0.00000
772 0.0387 0.00000
773 0.0245 0.00000
774 0.0073 0.00000
775 -0.0356 0.00000
776 -0.0067 0.00000
777 -0.0029 0.00000
778 0.0021 0.00000
779 -0.0531 0.00000
780 -0.0822 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0546 0.00000
5 -0.1509 0.00000
6 -0.0663 0.00000
7 -0.0366 0.00000
8 -0.0296 0.00000
9 -0.1249 0.00000
10 -0.1139 0.00000
11 0.0123 0.00000
12 -0.0921 0.00000
13 0.1490 0.00000
14 0.0107 0.00000
15 -0.2158 0.00000
16 0.0041 0.00000
17 -0.1582 0.00000
18 0.0902 0.00000
19 0.0536 0.00000
20 0.2090 0.00000
21 -0.0429 0.00000
22 0.0448 0.00000
23 0.0201 0.00000
24 -0.0123 0.00000
25 -0.0184 0.00000
26 0.8203 0.00000
27 0.7609 0.00000
28 -0.1875 0.00000
29 0.1420 0.00000
30 0.6506 0.00000
31 -0.1367 0.00000
32 -0.1676 0.00000
33 -0.0157 0.00000
34 -0.0223 0.00000
35 -0.0248 0.00000
36 -0.1197 0.00000
37 -0.1964 0.00000
38 -0.1520 0.00000
39 -0.0696 0.00000
40 -0.0256 0.00000
41 -0.3200 0.00000
42 0.1411 0.00000
43 -0.0248 0.00000
44 1.8995 0.00000
45 -0.1464 0.00000
46 -0.0570 0.00000
47 0.2075 0.00000
48 -0.0831 0.00000
49 0.0529 0.00000
50 0.0220 0.00000
51 -0.0334 0.00000
52 -0.0993 0.00000
53 0.0364 0.00000
54 -0.0181 0.00000
55 -0.0939 0.00000
56 0.0382 0.00000
57 0.1912 0.00000
58 -0.1980 0.00000
59 0.5590 0.00000
60 -0.1921 0.00000
61 0.5983 0.00000
62 -0.0435 0.00000
63 0.2000 0.00000
64 0.0624 0.00000
65 -0.2040 0.00000
66 0.8039 0.00000
67 -0.1149 0.00000
68 0.1051 0.00000
69 -0.0942 0.00000
70 -0.0487 0.00000
71 -0.0661 0.00000
72 -0.0053 0.00000
73 -0.0515 0.00000
74 -0.0950 0.00000
75 0.3412 0.00000
76 0.0625 0.00000
77 0.1608 0.00000
78 -0.2554 0.00000
79 0.9577 0.00000
80 0.0731 0.00000
81 2.0006 0.00000
82 0.0255 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0084 0.00000
90 0.0476 0.00000
91 0.0886 0.00000
92 0.0513 0.00000
93 0.1787 0.00000
94 0.1310 0.00000
95 0.1176 0.00000
96 -0.0368 0.00000
97 0.0027 0.00000
98 -0.5134 0.00000
99 -0.2469 0.00000
100 -0.7312 0.00000
101 -0.1333 0.00000
102 -0.1296 0.00000
103 -0.3515 0.00000
104 0.1007 0.00000
105 -0.0366 0.00000
106 0.0892 0.00000
107 0.0676 0.00000
108 0.0502 0.00000
109 0.1652 0.00000
110 0.0091 0.00000
111 0.0348 0.00000
112 -0.0126 0.00000
113 -0.0064 0.00000
114 -0.0217 0.00000
115 -0.6159 0.00000
116 0.0433 0.00000
117 -0.4708 0.00000
118 0.0293 0.00000
119 -0.0408 0.00000
120 -0.0103 0.00000
121 0.0251 0.00000
122 -0.0482 0.00000
123 0.1112 0.00000
124 0.1308 0.00000
125 -0.0283 0.00000
126 -0.6046 0.00000
127 0.0798 0.00000
128 -0.0875 0.00000
129 0.1362 0.00000
130 -0.1574 0.00000
131 -0.0765 0.00000
132 0.1298 0.00000
133 0.1064 0.00000
134 -0.1466 0.00000
135 -0.0023 0.00000
136 -0.1007 0.00000
137 0.1167 0.00000
138 -1.3341 0.00000
139 0.0343 0.00000
140 0.0715 0.00000
141 0.0816 0.00000
142 0.0859 0.00000
143 0.0964 0.00000
144 0.0927 0.00000
145 0.0949 0.00000
146 0.1166 0.00000
147 0.0336 0.00000
148 0.0043 0.00000
149 -0.1904 0.00000
150 0.0043 0.00000
151 -0.1076 0.00000
152 0.0364 0.00000
153 -0.0641 0.00000
154 -0.0279 0.00000
155 0.0202 0.00000
156 -0.0538 0.00000
157 0.2992 0.00000
158 0.0431 0.00000
159 0.3615 0.00000
160 0.0816 0.00000
161 0.0762 0.00000
162 0.0141 0.00000
163 0.2787 0.00000
164 -0.2537 0.00000
165 -0.0929 0.00000
166 0.4117 0.00000
167 -0.0438 0.00000
168 0.0283 0.00000
169 0.0987 0.00000
170 0.0961 0.00000
171 -0.0919 0.00000
172 -0.0307 0.00000
173 -0.0261 0.00000
174 0.0265 0.00000
175 -0.0424 0.00000
176 0.0786 0.00000
177 0.2884 0.00000
178 0.1398 0.00000
179 -0.0102 0.00000
180 -0.0311 0.00000
181 0.0656 0.00000
182 0.1147 0.00000
183 0.2029 0.00000
184 0.1563 0.00000
185 0.2341 0.00000
186 0.0334 0.00000
187 0.0239 0.00000
188 -0.0703 0.00000
189 0.0001 0.00000
190 -0.0010 0.00000
191 0.0447 0.00000
192 -0.0415 0.00000
193 -0.0495 0.00000
194 0.0495 0.00000
195 0.1117 0.00000
196 0.0446 0.00000
197 -0.0088 0.00000
198 0.5281 0.00000
199 0.0151 0.00000
200 0.0083 0.00000
201 0.2554 0.00000
202 0.1465 0.00000
203 -0.0014 0.00000
204 -0.0027 0.00000
205 0.1302 0.00000
206 0.0583 0.00000
207 0.0139 0.00000
208 -0.0099 0.00000
209 -0.0498 0.00000
210 -0.0535 0.00000
211 0.0407 0.00000
212 -0.0624 0.00000
213 0.0462 0.00000
214 -0.0155 0.00000
215 0.0142 0.00000
216 0.6804 0.00000
217 -0.0010 0.00000
218 0.2547 0.00000
219 -0.1561 0.00000
220 0.0742 0.00000
221 0.1082 0.00000
222 -0.0498 0.00000
223 -0.1470 0.00000
224 -0.0036 0.00000
225 0.3756 0.00000
226 -0.1626 0.00000
227 0.2351 0.00000
228 -0.0267 0.00000
229 -0.0327 0.00000
230 -0.0725 0.00000
231 -0.0215 0.00000
232 0.2861 0.00000
233 0.1525 0.00000
234 0.1889 0.00000
235 0.0746 0.00000
236 0.0346 0.00000
237 0.0547 0.00000
238 0.0318 0.00000
239 0.0074 0.00000
240 0.0613 0.00000
241 0.1751 0.00000
242 -0.0047 0.00000
243 -0.0210 0.00000
244 -0.0404 0.00000
245 -0.0050 0.00000
246 0.0136 0.00000
247 -0.1679 0.00000
248 -0.2822 0.00000
249 -0.0312 0.00000
250 0.0169 0.00000
251 0.0397 0.00000
252 -0.0255 0.00000
253 0.0347 0.00000
254 -0.0508 0.00000
255 -0.0239 0.00000
256 -0.0549 0.00000
257 -0.0809 0.00000
258 0.0159 0.00000
259 -0.0015 0.00000
260 -0.1065 0.00000
261 -0.0550 0.00000
262 -0.0184 0.00000
263 -0.0059 0.00000
264 -0.1145 0.00000
265 -0.0160 0.00000
266 -0.0085 0.00000
267 0.0613 0.00000
268 0.0364 0.00000
269 -0.0934 0.00000
270 0.0128 0.00000
271 0.0376 0.00000
272 -0.1158 0.00000
273 -0.0173 0.00000
274 -0.2974 0.00000
275 0.0119 0.00000
276 -0.2288 0.00000
277 0.0423 0.00000
278 0.1780 0.00000
279 0.0249 0.00000
280 -0.1031 0.00000
281 -0.0257 0.00000
282 -0.0738 0.00000
283 0.0225 0.00000
284 0.0151 0.00000
285 -0.0849 0.00000
286 0.0345 0.00000
287 -0.0109 0.00000
288 -0.0084 0.00000
289 -0.1213 0.00000
290 0.0152 0.00000
291 -0.0235 0.00000
292 -0.0789 0.00000
293 -0.0941 0.00000
294 0.0166 0.00000
295 -0.0406 0.00000
296 -0.0557 0.00000
297 0.0428 0.00000
298 -0.0451 0.00000
299 -0.0769 0.00000
300 -0.0798 0.00000
301 -0.0726 0.00000
302 0.0934 0.00000
303 0.0390 0.00000
304 -0.2931 0.00000
305 -0.1350 0.00000
306 0.0472 0.00000
307 0.0376 0.00000
308 -0.0787 0.00000
309 -0.0356 0.00000
310 0.0063 0.00000
311 -0.0703 0.00000
312 0.1080 0.00000
313 -0.0352 0.00000
314 0.0247 0.00000
315 -0.0044 0.00000
316 0.0103 0.00000
317 0.0177 0.00000
318 -0.0346 0.00000
319 -0.0490 0.00000
320 -0.1083 0.00000
321 -0.0172 0.00000
322 -0.0914 0.00000
323 0.0652 0.00000
324 -0.0684 0.00000
325 -0.0654 0.00000
326 -0.0099 0.00000
327 -0.0219 0.00000
328 0.0047 0.00000
329 -0.1517 0.00000
330 0.0613 0.00000
331 0.0552 0.00000
332 0.0394 0.00000
333 0.0390 0.00000
334 0.0252 0.00000
335 0.0001 0.00000
336 -0.0584 0.00000
337 -0.2553 0.00000
338 0.0186 0.00000
339 0.0247 0.00000
340 0.0072 0.00000
341 -0.0524 0.00000
342 0.0584 0.00000
343 0.0135 0.00000
344 -0.0292 0.00000
345 -0.0263 0.00000
346 -0.0407 0.00000
347 0.0528 0.00000
348 0.0027 0.00000
349 -0.0746 0.00000
350 -0.0167 0.00000
351 -0.0734 0.00000
352 0.0301 0.00000
353 -0.0265 0.00000
354 0.0308 0.00000
355 -0.0682 0.00000
356 0.0084 0.00000
357 0.0089 0.00000
358 0.0175 0.00000
359 0.0092 0.00000
360 0.0069 0.00000
361 -0.0254 0.00000
362 -0.0912 0.00000
363 0.0039 0.00000
364 0.0255 0.00000
365 -0.0701 0.00000
366 0.0137 0.00000
367 0.0078 0.00000
368 -0.0014 0.00000
369 -0.0384 0.00000
370 0.0034 0.00000
371 0.0171 0.00000
372 0.0009 0.00000
373 0.0632 0.00000
374 0.0251 0.00000
375 0.0292 0.00000
376 0.0590 0.00000
377 0.0215 0.00000
378 0.0806 0.00000
379 0.0375 0.00000
380 0.0578 0.00000
381 0.0352 0.00000
382 0.0056 0.00000
383 -0.0436 0.00000
384 0.1927 0.00000
385 0.0262 0.00000
386 -0.0502 0.00000
387 -0.1155 0.00000
388 0.0080 0.00000
389 0.0242 0.00000
390 -0.0600 0.00000
391 -0.0295 0.00000
392 0.0862 0.00000
393 -0.0282 0.00000
394 0.0070 0.00000
395 -0.1252 0.00000
396 -0.0304 0.00000
397 0.0397 0.00000
398 -0.0313 0.00000
399 -0.0616 0.00000
400 -0.0723 0.00000
401 0.0018 0.00000
402 -0.0550 0.00000
403 -0.0253 0.00000
404 0.0310 0.00000
405 -0.0402 0.00000
406 0.0926 0.00000
407 0.1130 0.00000
408 -0.0110 0.00000
409 -0.0330 0.00000
410 0.0484 0.00000
411 -0.0476 0.00000
412 -0.1386 0.00000
413 0.0371 0.00000
414 0.2044 0.00000
415 0.1168 0.00000
416 -0.0511 0.00000
417 0.0402 0.00000
418 0.0210 0.00000
419 0.0520 0.00000
420 0.0433 0.00000
421 -0.0274 0.00000
422 0.0357 0.00000
423 0.0267 0.00000
424 0.0756 0.00000
425 0.0809 0.00000
426 0.0236 0.00000
427 0.1068 0.00000
428 0.0201 0.00000
429 0.0132 0.00000
430 0.0776 0.00000
431 0.1277 0.00000
432 0.0418 0.00000
433 -0.0102 0.00000
434 0.0211 0.00000
435 0.0251 0.00000
436 -0.0283 0.00000
437 0.0153 0.00000
438 0.0150 0.00000
439 -0.0193 0.00000
440 0.0426 0.00000
441 -0.0324 0.00000
442 0.0003 0.00000
443 -0.0059 0.00000
444 0.0046 0.00000
445 0.1473 0.00000
446 -0.0640 0.00000
447 0.1250 0.00000
448 0.0556 0.00000
449 0.0325 0.00000
450 0.2352 0.00000
451 0.0205 0.00000
452 0.0328 0.00000
453 -0.0013 0.00000
454 -0.0049 0.00000
455 0.1360 0.00000
456 -0.0375 0.00000
457 0.0513 0.00000
458 0.0752 0.00000
459 0.0091 0.00000
460 0.0156 0.00000
461 0.0242 0.00000
462 0.0424 0.00000
463 0.0015 0.00000
464 0.1014 0.00000
465 0.0265 0.00000
466 0.0073 0.00000
467 0.0953 0.00000
468 0.0836 0.00000
469 -0.0029 0.00000
470 0.0857 0.00000
471 0.2310 0.00000
472 -0.0827 0.00000
473 0.0257 0.00000
474 0.1359 0.00000
475 0.0781 0.00000
476 -0.0235 0.00000
477 -0.0047 0.00000
478 0.1568 0.00000
479 -0.0349 0.00000
480 0.0050 0.00000
481 0.2486 0.00000
482 0.0882 0.00000
483 0.0423 0.00000
484 0.0567 0.00000
485 0.0423 0.00000
486 0.0288 0.00000
487 -0.0534 0.00000
488 0.0846 0.00000
489 -0.0289 0.00000
490 0.0032 0.00000
491 0.0087 0.00000
492 0.3483 0.00000
493 -0.0597 0.00000
494 0.0807 0.00000
495 -0.0195 0.00000
496 0.1315 0.00000
497 -0.0970 0.00000
498 -0.0240 0.00000
499 0.0564 0.00000
500 0.0179 0.00000
501 -0.0617 0.00000
502 -0.0541 0.00000
503 0.0026 0.00000
504 0.0239 0.00000
505 -0.0142 0.00000
506 0.0257 0.00000
507 0.1260 0.00000
508 0.2018 0.00000
509 0.0595 0.00000
510 0.1624 0.00000
511 0.0246 0.00000
512 0.0448 0.00000
513 -0.0427 0.00000
514 -0.0500 0.00000
515 -0.0205 0.00000
516 0.0299 0.00000
517 0.0334 0.00000
518 0.0894 0.00000
519 0.0165 0.00000
520 0.1413 0.00000
521 -0.0409 0.00000
522 -0.0081 0.00000
523 0.0538 0.00000
524 0.1276 0.00000
525 -0.2495 0.00000
526 -0.0849 0.00000
527 0.0049 0.00000
528 -0.0441 0.00000
529 0.0275 0.00000
530 -0.0708 0.00000
531 0.2257 0.00000
532 0.0572 0.00000
533 0.1520 0.00000
534 -0.1001 0.00000
535 -0.5209 0.00000
536 -0.1167 0.00000
537 0.3420 0.00000
538 0.0337 0.00000
539 0.0596 0.00000
540 0.1191 0.00000
541 -0.0328 0.00000
542 0.0461 0.00000
543 0.0060 0.00000
544 -0.1599 0.00000
545 0.1055 0.00000
546 0.1472 0.00000
547 -0.0858 0.00000
548 0.1357 0.00000
549 0.0144 0.00000
550 0.0196 0.00000
551 0.0020 0.00000
552 -0.0342 0.00000
553 0.0237 0.00000
554 0.0240 0.00000
555 0.0327 0.00000
556 -0.1466 0.00000
557 0.0278 0.00000
558 0.0700 0.00000
559 -0.0534 0.00000
560 0.0083 0.00000
561 0.0604 0.00000
562 -0.0434 0.00000
563 -0.0293 0.00000
564 0.0629 0.00000
565 -0.0131 0.00000
566 -0.0252 0.00000
567 -0.0056 0.00000
568 0.0886 0.00000
569 0.2039 0.00000
570 0.1085 0.00000
571 -0.0078 0.00000
572 0.0166 0.00000
573 -0.1447 0.00000
574 -0.0233 0.00000
575 0.1435 0.00000
576 0.0645 0.00000
577 0.2463 0.00000
578 0.0634 0.00000
579 -0.4012 0.00000
580 0.0494 0.00000
581 0.0694 0.00000
582 -0.0048 0.00000
583 -0.0154 0.00000
584 -0.5574 0.00000
585 0.0091 0.00000
586 -0.0345 0.00000
587 0.0053 0.00000
588 0.0288 0.00000
589 0.0005 0.00000
590 0.1491 0.00000
591 0.0076 0.00000
592 0.0482 0.00000
593 0.0458 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0013 0.00000
597 -0.0041 0.00000
598 -0.0791 0.00000
599 0.0108 0.00000
600 -0.0511 0.00000
601 0.0235 0.00000
602 -0.0533 0.00000
603 -0.0668 0.00000
604 0.0315 0.00000
605 -0.1035 0.00000
606 0.0382 0.00000
607 -0.0297 0.00000
608 0.0363 0.00000
609 0.0010 0.00000
610 0.0360 0.00000
611 -0.0405 0.00000
612 -0.0119 0.00000
613 0.0083 0.00000
614 -0.0554 0.00000
615 -0.0882 0.00000
616 -0.0887 0.00000
617 0.0316 0.00000
618 -0.0660 0.00000
619 0.0006 0.00000
620 -0.0024 0.00000
621 0.0661 0.00000
622 -0.0170 0.00000
623 -0.0400 0.00000
624 0.0171 0.00000
625 0.0089 0.00000
626 -0.0445 0.00000
627 0.0524 0.00000
628 -0.0238 0.00000
629 -0.0033 0.00000
630 -0.0259 0.00000
631 -0.0529 0.00000
632 -0.0425 0.00000
633 -0.0258 0.00000
634 0.0101 0.00000
635 -0.0552 0.00000
636 -0.1728 0.00000
637 -0.0441 0.00000
638 -0.0317 0.00000
639 -0.0373 0.00000
640 0.0088 0.00000
641 0.0363 0.00000
642 -0.0117 0.00000
643 -0.0301 0.00000
644 0.0422 0.00000
645 0.0194 0.00000
646 -0.1081 0.00000
647 0.0023 0.00000
648 -0.1844 0.00000
649 -0.0396 0.00000
650 -0.0260 0.00000
651 0.0108 0.00000
652 -0.0133 0.00000
653 0.0485 0.00000
654 -0.0944 0.00000
655 -0.0369 0.00000
656 0.0381 0.00000
657 -0.0645 0.00000
658 0.0549 0.00000
659 0.0327 0.00000
660 -0.0318 0.00000
661 -0.0556 0.00000
662 0.0538 0.00000
663 -0.0044 0.00000
664 -0.0719 0.00000
665 -0.0452 0.00000
666 0.0080 0.00000
667 -0.0367 0.00000
668 -0.1420 0.00000
669 -0.0486 0.00000
670 0.0363 0.00000
671 0.0172 0.00000
672 0.0197 0.00000
673 0.0029 0.00000
674 0.0163 0.00000
675 0.0152 0.00000
676 -0.1292 0.00000
677 0.0499 0.00000
678 0.0061 0.00000
679 0.0054 0.00000
680 0.0569 0.00000
681 0.0460 0.00000
682 0.0343 0.00000
683 0.0060 0.00000
684 -0.0830 0.00000
685 0.0150 0.00000
686 -0.0147 0.00000
687 0.0109 0.00000
688 -0.0360 0.00000
689 0.0464 0.00000
690 0.0127 0.00000
691 -0.1292 0.00000
692 -0.0041 0.00000
693 -0.0094 0.00000
694 -0.0764 0.00000
695 0.0212 0.00000
696 -0.0042 0.00000
697 -0.0057 0.00000
698 0.0272 0.00000
699 0.0008 0.00000
700 0.0485 0.00000
701 -0.1473 0.00000
702 0.0011 0.00000
703 -0.0442 0.00000
704 -0.0206 0.00000
705 0.0484 0.00000
706 -0.0103 0.00000
707 -0.0377 0.00000
708 0.0039 0.00000
709 -0.0197 0.00000
710 -0.0073 0.00000
711 -0.0470 0.00000
712 0.0108 0.00000
713 -0.0453 0.00000
714 -0.0390 0.00000
715 -0.0146 0.00000
716 -0.1256 0.00000
717 -0.0561 0.00000
718 -0.0077 0.00000
719 0.0225 0.00000
720 -0.0286 0.00000
721 0.0100 0.00000
722 0.0353 0.00000
723 -0.0527 0.00000
724 -0.0477 0.00000
725 -0.0019 0.00000
726 0.0200 0.00000
727 0.0253 0.00000
728 -0.0005 0.00000
729 -0.0497 0.00000
730 -0.0418 0.00000
731 0.0181 0.00000
732 -0.0886 0.00000
733 0.0056 0.00000
734 -0.0179 0.00000
735 -0.1223 0.00000
736 -0.0070 0.00000
737 -0.0352 0.00000
738 -0.0435 0.00000
739 0.0056 0.00000
740 0.0021 0.00000
741 -0.0459 0.00000
742 0.0239 0.00000
743 -0.0525 0.00000
744 -0.0151 0.00000
745 0.0516 0.00000
746 -0.0487 0.00000
747 0.0598 0.00000
748 0.0327 0.00000
749 -0.1151 0.00000
750 0.0006 0.00000
751 -0.0036 0.00000
752 -0.0711 0.00000
753 -0.0456 0.00000
754 0.1108 0.00000
755 0.0396 0.00000
756 -0.0078 0.00000
757 -0.0592 0.00000
758 0.0230 0.00000
759 -0.0651 0.00000
760 -0.0457 0.00000
761 -0.0010 0.00000
762 -0.0667 0.00000
763 -0.1685 0.00000
764 -0.0005 0.00000
765 0.0049 0.00000
766 0.0191 0.00000
767 0.0074 0.00000
768 0.0116 0.00000
769 -0.0352 0.00000
770 -0.0697 0.00000
771 -0.0473 0.00000
772 -0.0082 0.00000
773 -0.0028 0.00000
774 -0.0138 0.00000
775 -0.0168 0.00000
776 -0.0194 0.00000
777 -0.0094 0.00000
778 0.0025 0.00000
779 0.0141 0.00000
780 0.0299 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0345 0.00000
2 0.0075 0.00000
3 -0.0217 0.00000
4 -0.0554 0.00000
5 -0.1500 0.00000
6 -0.0669 0.00000
7 -0.0362 0.00000
8 -0.0298 0.00000
9 -0.1249 0.00000
10 -0.1138 0.00000
11 0.0123 0.00000
12 -0.0920 0.00000
13 0.1490 0.00000
14 0.0106 0.00000
15 -0.2158 0.00000
16 0.0132 0.00000
17 -0.0186 0.00000
18 -0.0618 0.00000
19 0.0417 0.00000
20 0.2121 0.00000
21 -0.0423 0.00000
22 0.0578 0.00000
23 0.0039 0.00000
24 0.0500 0.00000
25 -0.0748 0.00000
26 0.9201 0.00000
27 0.6541 0.00000
28 -0.1544 0.00000
29 0.1425 0.00000
30 0.5537 0.00000
31 -0.0444 0.00000
32 -0.1885 0.00000
33 -0.0121 0.00000
34 -0.0237 0.00000
35 -0.0252 0.00000
36 -0.1419 0.00000
37 -0.1226 0.00000
38 -0.1766 0.00000
39 -0.0259 0.00000
40 -0.0924 0.00000
41 -0.3126 0.00000
42 0.0621 0.00000
43 -0.0265 0.00000
44 0.4905 0.00000
45 1.3663 0.00000
46 0.2234 0.00000
47 -0.0899 0.00000
48 -0.0795 0.00000
49 -0.0714 0.00000
50 0.0374 0.00000
51 -0.0409 0.00000
52 0.0099 0.00000
53 0.0356 0.00000
54 -0.0096 0.00000
55 -0.0985 0.00000
56 0.1193 0.00000
57 0.1912 0.00000
58 -0.1958 0.00000
59 -0.1920 0.00000
60 0.5780 0.00000
61 -0.2668 0.00000
62 0.7590 0.00000
63 0.1475 0.00000
64 0.0859 0.00000
65 -0.1407 0.00000
66 0.7335 0.00000
67 -0.1633 0.00000
68 0.1391 0.00000
69 -0.0941 0.00000
70 -0.0538 0.00000
71 -0.0610 0.00000
72 -0.0053 0.00000
73 -0.0509 0.00000
74 -0.0950 0.00000
75 0.3528 0.00000
76 0.0496 0.00000
77 0.1453 0.00000
78 -0.2540 0.00000
79 0.9747 0.00000
80 0.0732 0.00000
81 1.9981 0.00000
82 0.0256 0.00000
83 0.0354 0.00000
84 0.0431 0.00000
85 0.0409 0.00000
86 0.0456 0.00000
87 0.0374 0.00000
88 -0.0466 0.00000
89 -0.0085 0.00000
90 0.0470 0.00000
91 0.0906 0.00000
92 0.0506 0.00000
93 0.1790 0.00000
94 0.1310 0.00000
95 0.1194 0.00000
96 -0.0547 0.00000
97 0.0000 0.00000
98 -0.6395 0.00000
99 -0.3162 0.00000
100 -0.2631 0.00000
101 -0.4105 0.00000
102 -0.0957 0.00000
103 -0.3338 0.00000
104 0.0655 0.00000
105 -0.0362 0.00000
106 0.1150 0.00000
107 0.0566 0.00000
108 -0.0030 0.00000
109 0.1754 0.00000
110 0.0152 0.00000
111 0.0782 0.00000
112 -0.0320 0.00000
113 -0.0087 0.00000
114 0.1063 0.00000
115 -0.7652 0.00000
116 0.0331 0.00000
117 -0.4416 0.00000
118 0.0433 0.00000
119 -0.0594 0.00000
120 0.0464 0.00000
121 -0.0159 0.00000
122 -0.0488 0.00000
123 0.0364 0.00000
124 0.2096 0.00000
125 -0.0429 0.00000
126 -0.5494 0.00000
127 0.1061 0.00000
128 -0.2191 0.00000
129 0.1464 0.00000
130 -0.1372 0.00000
131 -0.0774 0.00000
132 0.1533 0.00000
133 0.0955 0.00000
134 -0.1300 0.00000
135 -0.0015 0.00000
136 -0.0761 0.00000
137 0.1146 0.00000
138 -1.3662 0.00000
139 0.0385 0.00000
140 0.0756 0.00000
141 0.0848 0.00000
142 0.0856 0.00000
143 0.0929 0.00000
144 0.0931 0.00000
145 0.0953 0.00000
146 0.1164 0.00000
147 0.0336 0.00000
148 0.0127 0.00000
149 -0.2069 0.00000
150 0.0042 0.00000
151 -0.0751 0.00000
152 -0.0538 0.00000
153 -0.0359 0.00000
154 0.0575 0.00000
155 0.1018 0.00000
156 -0.0238 0.00000
157 0.0849 0.00000
158 -0.0433 0.00000
159 0.5381 0.00000
160 0.0387 0.00000
161 0.1220 0.00000
162 0.0409 0.00000
163 -0.2527 0.00000
164 0.0840 0.00000
165 0.2643 0.00000
166 -0.1135 0.00000
167 0.2882 0.00000
168 -0.0438 0.00000
169 0.0250 0.00000
170 -0.0461 0.00000
171 0.3772 0.00000
172 -0.0026 0.00000
173 -0.1127 0.00000
174 -0.0516 0.00000
175 -0.0084 0.00000
176 -0.0408 0.00000
177 0.0076 0.00000
178 0.4378 0.00000
179 -0.1151 0.00000
180 0.0801 0.00000
181 0.0309 0.00000
182 0.1878 0.00000
183 0.1786 0.00000
184 0.0816 0.00000
185 0.1281 0.00000
186 0.1929 0.00000
187 0.0583 0.00000
188 -0.0492 0.00000
189 -0.0336 0.00000
190 0.0292 0.00000
191 0.0582 0.00000
192 -0.0717 0.00000
193 0.0676 0.00000
194 -0.0706 0.00000
195 -0.0111 0.00000
196 0.0068 0.00000
197 0.0817 0.00000
198 0.3855 0.00000
199 -0.0247 0.00000
200 0.3549 0.00000
201 0.0757 0.00000
202 0.1414 0.00000
203 0.0758 0.00000
204 0.0854 0.00000
205 0.0248 0.00000
206 -0.0410 0.00000
207 0.0661 0.00000
208 0.0618 0.00000
209 -0.0683 0.00000
210 -0.0898 0.00000
211 0.1024 0.00000
212 -0.0225 0.00000
213 -0.0094 0.00000
214 -0.0504 0.00000
215 0.0085 0.00000
216 0.4102 0.00000
217 -0.0122 0.00000
218 0.6802 0.00000
219 -0.0236 0.00000
220 -0.2626 0.00000
221 0.0932 0.00000
222 -0.0190 0.00000
223 -0.1420 0.00000
224 0.0370 0.00000
225 0.4457 0.00000
226 -0.2076 0.00000
227 0.2144 0.00000
228 -0.0297 0.00000
229 -0.0333 0.00000
230 -0.0680 0.00000
231 -0.0216 0.00000
232 0.2680 0.00000
233 0.1751 0.00000
234 0.1910 0.00000
235 0.0650 0.00000
236 0.0404 0.00000
237 0.0169 0.00000
238 0.0767 0.00000
239 0.0044 0.00000
240 0.0654 0.00000
241 0.1724 0.00000
242 0.0089 0.00000
243 0.0353 0.00000
244 -0.0663 0.00000
245 -0.0655 0.00000
246 -0.0099 0.00000
247 -0.0745 0.00000
248 -0.3464 0.00000
249 -0.0111 0.00000
250 0.0118 0.00000
251 -0.0548 0.00000
252 0.1484 0.00000
253 -0.1003 0.00000
254 0.0268 0.00000
255 0.0084 0.00000
256 -0.1311 0.00000
257 -0.0550 0.00000
258 -0.0107 0.00000
259 -0.0707 0.00000
260 -0.0529 0.00000
261 0.0123 0.00000
262 -0.0258 0.00000
263 -0.1088 0.00000
264 -0.0629 0.00000
265 -0.0202 0.00000
266 0.0206 0.00000
267 0.0315 0.00000
268 0.0161 0.00000
269 0.0233 0.00000
270 0.0264 0.00000
271 -0.0836 0.00000
272 -0.0900 0.00000
273 -0.0505 0.00000
274 -0.2100 0.00000
275 -0.1484 0.00000
276 -0.0943 0.00000
277 -0.0049 0.00000
278 0.0757 0.00000
279 -0.0550 0.00000
280 0.1104 0.00000
281 -0.1205 0.00000
282 0.0249 0.00000
283 0.0476 0.00000
284 -0.0189 0.00000
285 0.0400 0.00000
286 -0.0508 0.00000
287 -0.0100 0.00000
288 0.0158 0.00000
289 -0.0938 0.00000
290 -0.0976 0.00000
291 -0.0610 0.00000
292 -0.0674 0.00000
293 0.0499 0.00000
294 0.0591 0.00000
295 -0.0663 0.00000
296 -0.0670 0.00000
297 -0.0780 0.00000
298 0.0114 0.00000
299 -0.0776 0.00000
300 0.0291 0.00000
301 -0.1517 0.00000
302 -0.0343 0.00000
303 -0.0687 0.00000
304 -0.3554 0.00000
305 0.0028 0.00000
306 0.0891 0.00000
307 0.0057 0.00000
308 -0.1001 0.00000
309 -0.0797 0.00000
310 0.0448 0.00000
311 0.0098 0.00000
312 0.1762 0.00000
313 0.0009 0.00000
314 -0.0470 0.00000
315 0.0292 0.00000
316 -0.0616 0.00000
317 0.0264 0.00000
318 0.0037 0.00000
319 -0.0523 0.00000
320 -0.0372 0.00000
321 -0.0036 0.00000
322 0.0159 0.00000
323 -0.0649 0.00000
324 -0.0872 0.00000
325 0.0193 0.00000
326 -0.0720 0.00000
327 -0.0184 0.00000
328 -0.0045 0.00000
329 -0.0855 0.00000
330 -0.0696 0.00000
331 0.0200 0.00000
332 -0.0093 0.00000
333 -0.0028 0.00000
334 0.0616 0.00000
335 -0.0839 0.00000
336 -0.0202 0.00000
337 -0.0270 0.00000
338 -0.0964 0.00000
339 -0.0192 0.00000
340 0.0238 0.00000
341 0.0282 0.00000
342 -0.0340 0.00000
343 0.0080 0.00000
344 0.0147 0.00000
345 0.0126 0.00000
346 -0.0513 0.00000
347 0.0198 0.00000
348 -0.0380 0.00000
349 0.0195 0.00000
350 -0.0948 0.00000
351 -0.0446 0.00000
352 -0.0777 0.00000
353 0.0756 0.00000
354 0.0204 0.00000
355 0.0526 0.00000
356 0.0162 0.00000
357 0.0275 0.00000
358 -0.0785 0.00000
359 -0.0082 0.00000
360 -0.0106 0.00000
361 -0.0666 0.00000
362 -0.0651 0.00000
363 0.0251 0.00000
364 0.0136 0.00000
365 -0.0053 0.00000
366 -0.0318 0.00000
367 0.0913 0.00000
368 -0.0543 0.00000
369 -0.0099 0.00000
370 0.0432 0.00000
371 -0.0271 0.00000
372 -0.1073 0.00000
373 0.0700 0.00000
374 -0.0093 0.00000
375 0.0663 0.00000
376 0.0748 0.00000
377 0.0619 0.00000
378 0.0706 0.00000
379 -0.0008 0.00000
380 0.1088 0.00000
381 0.0942 0.00000
382 0.0259 0.00000
383 0.1297 0.00000
384 -0.1247 0.00000
385 0.0062 0.00000
386 0.0162 0.00000
387 -0.1552 0.00000
388 -0.0183 0.00000
389 -0.0779 0.00000
390 0.0724 0.00000
391 -0.0437 0.00000
392 0.1035 0.00000
393 0.0682 0.00000
394 0.0030 0.00000
395 -0.0741 0.00000
396 -0.0800 0.00000
397 -0.0106 0.00000
398 -0.0700 0.00000
399 -0.0319 0.00000
400 -0.0020 0.00000
401 0.0073 0.00000
402 0.0100 0.00000
403 0.0512 0.00000
404 -0.0703 0.00000
405 0.0061 0.00000
406 -0.0758 0.00000
407 -0.0308 0.00000
408 0.0675 0.00000
409 -0.0432 0.00000
410 0.0398 0.00000
411 0.0422 0.00000
412 -0.0230 0.00000
413 0.0893 0.00000
414 0.0031 0.00000
415 0.1982 0.00000
416 0.0199 0.00000
417 -0.0829 0.00000
418 0.0729 0.00000
419 0.0013 0.00000
420 -0.0281 0.00000
421 0.0106 0.00000
422 0.0950 0.00000
423 0.0590 0.00000
424 -0.0334 0.00000
425 0.0947 0.00000
426 0.0566 0.00000
427 0.1158 0.00000
428 0.0222 0.00000
429 0.1067 0.00000
430 0.0256 0.00000
431 0.0102 0.00000
432 0.0030 0.00000
433 0.0291 0.00000
434 -0.0171 0.00000
435 0.0230 0.00000
436 0.0226 0.00000
437 0.0275 0.00000
438 0.0904 0.00000
439 -0.0227 0.00000
440 0.0062 0.00000
441 -0.0826 0.00000
442 0.0185 0.00000
443 0.1552 0.00000
444 0.2115 0.00000
445 -0.0412 0.00000
446 0.0300 0.00000
447 0.0176 0.00000
448 -0.0565 0.00000
449 0.0709 0.00000
450 0.0272 0.00000
451 0.1389 0.00000
452 0.0632 0.00000
453 0.0016 0.00000
454 -0.0034 0.00000
455 0.0129 0.00000
456 0.0732 0.00000
457 0.1463 0.00000
458 -0.0021 0.00000
459 0.0419 0.00000
460 0.0241 0.00000
461 0.0694 0.00000
462 -0.0057 0.00000
463 -0.0378 0.00000
464 -0.0082 0.00000
465 -0.0138 0.00000
466 0.1026 0.00000
467 0.2133 0.00000
468 0.0414 0.00000
469 0.0405 0.00000
470 0.0896 0.00000
471 0.0718 0.00000
472 0.0402 0.00000
473 0.0212 0.00000
474 0.0109 0.00000
475 -0.0088 0.00000
476 0.1292 0.00000
477 0.1579 0.00000
478 0.0768 0.00000
479 0.1845 0.00000
480 0.0285 0.00000
481 -0.0067 0.00000
482 0.0031 0.00000
483 -0.0093 0.00000
484 0.1613 0.00000
485 0.0587 0.00000
486 0.0218 0.00000
487 0.0002 0.00000
488 -0.0134 0.00000
489 -0.0139 0.00000
490 0.0364 0.00000
491 0.0054 0.00000
492 0.2433 0.00000
493 0.0103 0.00000
494 0.0670 0.00000
495 -0.0469 0.00000
496 -0.0052 0.00000
497 0.0601 0.00000
498 0.0488 0.00000
499 -0.0013 0.00000
500 -0.0519 0.00000
501 0.0277 0.00000
502 -0.0076 0.00000
503 0.0669 0.00000
504 0.0231 0.00000
505 0.0201 0.00000
506 0.2215 0.00000
507 0.0664 0.00000
508 -0.0083 0.00000
509 -0.0369 0.00000
510 -0.0155 0.00000
511 0.1672 0.00000
512 -0.0151 0.00000
513 0.0183 0.00000
514 0.0035 0.00000
515 0.0271 0.00000
516 0.0187 0.00000
517 0.0463 0.00000
518 0.0469 0.00000
519 0.0272 0.00000
520 0.0518 0.00000
521 -0.0638 0.00000
522 0.1133 0.00000
523 -0.2102 0.00000
524 0.0120 0.00000
525 0.1611 0.00000
526 -0.0369 0.00000
527 0.2683 0.00000
528 -0.0298 0.00000
529 0.1112 0.00000
530 0.0871 0.00000
531 -0.1304 0.00000
532 -0.0652 0.00000
533 -0.1805 0.00000
534 -0.0731 0.00000
535 -0.0897 0.00000
536 0.0010 0.00000
537 -0.3182 0.00000
538 0.2367 0.00000
539 -0.0061 0.00000
540 0.1741 0.00000
541 -0.0071 0.00000
542 -0.0495 0.00000
543 0.0501 0.00000
544 -0.0144 0.00000
545 -0.0098 0.00000
546 0.1025 0.00000
547 0.0528 0.00000
548 0.0242 0.00000
549 0.0158 0.00000
550 0.0344 0.00000
551 0.0120 0.00000
552 -0.0344 0.00000
553 0.0411 0.00000
554 0.0321 0.00000
555 -0.0162 0.00000
556 0.0467 0.00000
557 0.0567 0.00000
558 0.0295 0.00000
559 0.0598 0.00000
560 -0.1021 0.00000
561 0.0600 0.00000
562 0.0661 0.00000
563 0.0238 0.00000
564 0.0041 0.00000
565 -0.1086 0.00000
566 -0.0372 0.00000
567 0.0435 0.00000
568 0.0070 0.00000
569 0.1352 0.00000
570 0.0500 0.00000
571 0.0467 0.00000
572 -0.0430 0.00000
573 0.0611 0.00000
574 -0.0250 0.00000
575 -0.0359 0.00000
576 0.0176 0.00000
577 0.2570 0.00000
578 0.1396 0.00000
579 -0.0513 0.00000
580 -0.1465 0.00000
581 0.0113 0.00000
582 0.0537 0.00000
583 -0.2003 0.00000
584 -0.5884 0.00000
585 0.0167 0.00000
586 0.0628 0.00000
587 0.0023 0.00000
588 0.0250 0.00000
589 -0.0003 0.00000
590 0.1474 0.00000
591 0.0082 0.00000
592 0.0495 0.00000
593 0.0457 0.00000
594 0.0379 0.00000
595 0.0374 0.00000
596 0.0013 0.00000
597 -0.0041 0.00000
598 -0.0805 0.00000
599 0.0109 0.00000
600 -0.0502 0.00000
601 -0.0491 0.00000
602 -0.0931 0.00000
603 0.0289 0.00000
604 0.0472 0.00000
605 0.0580 0.00000
606 -0.0704 0.00000
607 -0.0129 0.00000
608 -0.0582 0.00000
609 0.0007 0.00000
610 0.0208 0.00000
611 -0.0136 0.00000
612 -0.0324 0.00000
613 0.0391 0.00000
614 -0.0569 0.00000
615 -0.1905 0.00000
616 -0.0287 0.00000
617 0.0065 0.00000
618 0.0160 0.00000
619 0.0482 0.00000
620 -0.0039 0.00000
621 0.0101 0.00000
622 -0.0228 0.00000
623 0.0077 0.00000
624 -0.0389 0.00000
625 -0.0281 0.00000
626 -0.0126 0.00000
627 -0.0079 0.00000
628 0.0505 0.00000
629 -0.0123 0.00000
630 -0.1128 0.00000
631 0.0138 0.00000
632 -0.0423 0.00000
633 -0.0426 0.00000
634 0.0214 0.00000
635 -0.0346 0.00000
636 -0.0090 0.00000
637 -0.0758 0.00000
638 0.0201 0.00000
639 -0.1089 0.00000
640 -0.0136 0.00000
641 -0.0584 0.00000
642 -0.1831 0.00000
643 -0.0391 0.00000
644 0.0270 0.00000
645 -0.0112 0.00000
646 -0.0401 0.00000
647 0.0266 0.00000
648 -0.0082 0.00000
649 -0.0094 0.00000
650 -0.0051 0.00000
651 0.0516 0.00000
652 -0.0209 0.00000
653 -0.0555 0.00000
654 -0.0168 0.00000
655 -0.0192 0.00000
656 0.0014 0.00000
657 -0.0366 0.00000
658 0.0040 0.00000
659 -0.0238 0.00000
660 -0.0040 0.00000
661 -0.0258 0.00000
662 0.0335 0.00000
663 -0.0294 0.00000
664 0.0025 0.00000
665 0.0138 0.00000
666 -0.0721 0.00000
667 -0.0172 0.00000
668 -0.1541 0.00000
669 0.0512 0.00000
670 0.0214 0.00000
671 -0.0401 0.00000
672 0.0199 0.00000
673 -0.0035 0.00000
674 -0.0430 0.00000
675 -0.0115 0.00000
676 -0.0811 0.00000
677 0.0252 0.00000
678 0.0105 0.00000
679 0.0068 0.00000
680 0.0513 0.00000
681 -0.0123 0.00000
682 -0.0813 0.00000
683 0.0554 0.00000
684 0.0655 0.00000
685 0.0160 0.00000
686 -0.0049 0.00000
687 -0.0765 0.00000
688 0.0167 0.00000
689 -0.0021 0.00000
690 0.0002 0.00000
691 -0.0520 0.00000
692 -0.0140 0.00000
693 0.0023 0.00000
694 0.0284 0.00000
695 -0.0586 0.00000
696 -0.0117 0.00000
697 0.0133 0.00000
698 -0.0017 0.00000
699 -0.0494 0.00000
700 -0.0199 0.00000
701 0.0300 0.00000
702 -0.0479 0.00000
703 -0.0543 0.00000
704 0.0057 0.00000
705 -0.0708 0.00000
706 -0.0135 0.00000
707 -0.0342 0.00000
708 -0.0110 0.00000
709 -0.0371 0.00000
710 -0.0898 0.00000
711 0.0090 0.00000
712 0.0238 0.00000
713 -0.0917 0.00000
714 0.0530 0.00000
715 0.0145 0.00000
716 -0.0545 0.00000
717 -0.0079 0.00000
718 0.0142 0.00000
719 -0.0335 0.00000
720 0.0065 0.00000
721 0.0475 0.00000
722 -0.0393 0.00000
723 -0.0119 0.00000
724 -0.0540 0.00000
725 0.0396 0.00000
726 -0.0241 0.00000
727 0.0309 0.00000
728 -0.0003 0.00000
729 -0.0843 0.00000
730 -0.1618 0.00000
731 -0.0268 0.00000
732 -0.0691 0.00000
733 0.0307 0.00000
734 0.0291 0.00000
735 -0.0973 0.00000
736 -0.0077 0.00000
737 -0.0234 0.00000
738 0.0141 0.00000
739 0.0054 0.00000
740 -0.0207 0.00000
741 -0.0412 0.00000
742 -0.0157 0.00000
743 0.0375 0.00000
744 0.0149 0.00000
745 -0.0248 0.00000
746 -0.0610 0.00000
747 -0.0460 0.00000
748 -0.0631 0.00000
749 -0.0564 0.00000
750 0.0134 0.00000
751 -0.0953 0.00000
752 -0.0012 0.00000
753 0.0028 0.00000
754 0.0316 0.00000
755 -0.1287 0.00000
756 -0.0416 0.00000
757 0.0320 0.00000
758 -0.0047 0.00000
759 -0.0614 0.00000
760 -0.0337 0.00000
761 0.0506 0.00000
762 0.0456 0.00000
763 0.0267 0.00000
764 -0.1139 0.00000
765 -0.0578 0.00000
766 -0.0578 0.00000
767 0.0117 0.00000
768 0.0008 0.00000
769 0.0494 0.00000
770 -0.0334 0.00000
771 0.0414 0.00000
772 0.0364 0.00000
773 -0.0185 0.00000
774 0.0062 0.00000
775 0.0288 0.00000
776 -0.0578 0.00000
777 -0.0098 0.00000
778 -0.0029 0.00000
779 -0.0234 0.00000
780 -0.0667 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 4 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
-18.03112 -3.43315 -1.84646
-3.43298 4.22661 -2.37965
-1.84638 -2.37953 -6.60090
POSITION FORCE-CONSTANT FOR ION 4 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.012727 0.635736 0.403214
4.30302 2.15352 7.05746 0.198296 -1.026911 1.612607
1.30883 4.06731 2.03161 2.807388 0.278386 2.343101
3.96992 4.32885 4.13194 2.372110 0.251060 -27.637824
1.29275 3.05683 8.10201 -0.606727 -0.104741 0.364508
3.79636 1.47547 14.70421 -0.060062 0.082040 0.268070
1.24643 4.63551 10.86193 -0.014672 0.027846 0.409186
3.89005 4.20092 12.88287 0.002222 -0.045199 0.290524
1.04482 6.69020 17.44020 0.189610 -0.682510 0.465431
3.77370 7.04599 6.61024 0.034584 1.269268 1.365517
0.71312 9.21049 2.53845 -0.101137 -0.097870 -0.261075
3.86880 9.70388 4.59023 -0.008036 0.583474 -0.526974
1.19399 7.29663 8.75952 -0.468748 0.112973 0.360959
4.14925 6.52609 15.71477 0.069395 -0.050438 0.308270
1.16791 10.19708 10.50563 -0.050330 0.144305 0.167935
3.90202 11.30466 11.97145 -0.009087 0.034170 0.111436
1.41963 13.48240 16.88000 -0.013375 0.030600 0.040879
3.89470 12.50036 6.39588 -0.000208 0.093939 0.031090
1.24092 15.65995 2.03746 -0.000671 0.185941 -0.156392
3.45676 13.88732 3.60018 -0.050439 0.040408 -0.136414
1.37686 12.90671 8.69683 -0.051889 0.026470 0.031611
4.20896 12.98001 14.89140 -0.002439 0.010809 0.073028
1.28271 15.54574 11.35729 -0.024218 -0.031243 0.119043
4.02704 16.14416 13.12883 -0.022532 0.068732 0.154005
8.51844 2.13686 0.32759 -0.263723 0.165367 0.125143
10.42520 1.68659 6.72748 0.137303 0.024126 -0.140544
6.89192 4.41938 2.41726 -1.978290 0.013435 1.355798
10.22536 4.35381 4.16682 -0.270260 -0.127955 -0.144571
7.19238 2.15284 8.75827 0.555710 -0.063273 0.281277
10.67141 2.29852 15.08728 -0.065930 0.039775 0.164137
7.24075 4.59797 11.01224 0.063908 -0.045316 0.310913
10.30176 4.56419 12.61212 0.091786 -0.018405 0.133547
6.40057 6.85176 0.36515 -0.028717 -0.493851 0.328692
9.75325 6.62606 6.90745 0.173058 -0.081642 -0.171487
6.24007 9.67823 1.67645 0.007133 -0.292720 -0.215167
6.65558 7.06042 8.79421 0.437819 0.232806 0.284763
11.80692 6.94639 14.05727 0.020468 -0.019044 0.084476
6.39955 9.97659 10.34026 0.007987 0.140319 0.148646
11.03265 10.16848 13.84914 0.005952 -0.026567 0.049676
6.77345 12.10505 16.99256 0.007377 -0.029499 0.027188
10.32223 13.09442 6.99099 0.066098 0.011621 -0.022305
10.59365 15.96480 4.77521 0.024555 0.003461 -0.055733
6.94250 12.79247 7.88185 0.078479 -0.002202 -0.002980
10.18654 12.31147 16.08279 -0.006268 -0.004305 0.015331
7.13888 17.01345 11.20310 0.007038 -0.018640 0.142166
10.37682 0.23169 12.64835 0.045467 0.024663 0.086677
13.24904 1.54346 17.14370 0.020496 0.052191 0.036097
15.89410 1.64185 6.44545 -0.202750 0.121446 -0.258179
12.98857 4.28042 2.14546 -0.000991 0.005678 0.032368
15.96785 4.32998 4.48967 0.184028 -0.266596 -0.681554
13.27097 1.52537 8.57426 -0.028307 0.001512 0.024195
16.03461 1.53130 15.21659 0.082420 -0.031026 0.162796
13.37701 3.97590 10.80799 -0.002588 -0.009569 0.047433
16.23421 4.17555 13.11475 -0.073867 -0.014130 0.205539
13.12188 6.75851 16.83328 0.026029 -0.032301 0.057752
16.15350 6.82329 6.57280 -0.258920 -0.086378 -0.212399
13.80451 11.28726 3.11364 -0.017280 0.012489 -0.036564
16.01530 9.31599 4.57229 -0.045868 0.013508 -0.091087
16.24774 6.95131 14.97400 0.118429 -0.023118 0.195229
13.37358 11.10317 11.33384 0.001912 -0.002493 0.042742
16.26481 10.28310 12.82929 -0.034088 -0.039733 0.101025
13.02958 12.87265 0.34345 -0.007489 0.017416 -0.000330
15.63587 13.81058 6.90598 -0.036031 0.022210 -0.038105
13.11026 15.86276 1.91698 0.002854 0.035462 -0.039064
16.04847 15.98249 4.25314 0.010297 0.011669 -0.085909
12.92950 13.50280 9.01948 -0.000165 -0.001113 0.028331
16.03470 13.24150 15.21399 0.006464 0.005967 0.027553
13.00717 16.52927 10.76204 0.000851 -0.006925 0.040885
15.92967 15.85673 13.13419 -0.041977 0.046054 0.083189
1.86054 17.36365 1.29865 -0.013588 -0.153445 0.048874
4.17830 2.73136 5.21241 0.501257 -3.331792 4.701209
3.26426 5.75851 5.24301 -1.184936 2.132765 4.280731
17.49829 1.67854 7.58538 0.153327 0.072991 0.042912
1.16532 17.05709 10.27678 -0.007157 0.028227 -0.023048
3.43296 5.28736 14.40974 -0.003960 -0.013139 -0.103580
5.78979 4.58179 12.35127 0.036373 0.009555 -0.073944
2.66622 1.96025 16.18884 0.072020 -0.051410 -0.132698
17.32027 0.89679 16.51550 -0.024629 -0.070635 -0.086872
0.46199 8.18893 0.93413 0.005046 0.121773 0.023789
5.39231 10.11127 3.40660 -0.024010 -0.023991 0.111889
2.32066 9.80687 3.44943 0.015789 -0.022494 0.123943
4.91964 7.92130 14.71679 -0.000758 0.011883 -0.050555
2.68710 7.23238 16.69438 -0.032696 0.080751 -0.081250
0.01020 10.88204 2.02154 0.020209 0.021375 0.055072
4.21835 0.28129 6.98759 -0.000509 0.163997 -0.174690
17.23783 13.81793 8.03064 0.018324 -0.008014 0.011569
4.79582 14.66186 14.12172 0.004543 0.000069 -0.022657
1.82404 14.00413 10.26937 0.007441 0.000878 -0.020042
5.26768 16.92854 11.79676 0.024369 0.010196 -0.052668
10.96027 2.96124 5.34122 0.039950 0.002077 0.116035
6.97457 3.04582 1.08259 0.280210 -0.130814 -0.208388
10.16898 6.05361 5.08582 0.010384 0.061130 0.101240
8.34039 4.05066 3.68939 0.604570 -0.036423 0.066208
8.74489 2.42632 7.55292 -0.142741 0.009126 0.046177
7.18775 0.35634 9.46384 -0.062026 0.045729 -0.071939
11.47395 4.04892 11.19556 -0.010243 0.005190 -0.016174
9.15080 2.77757 16.12393 0.078639 -0.044608 -0.073620
7.98734 0.36277 0.04247 0.058534 -0.053215 -0.030444
8.09306 7.37877 7.53063 -0.144586 -0.020841 0.045965
5.20414 6.37683 7.73407 -0.337009 -0.195649 -0.344188
12.25313 11.32613 12.87115 0.000880 0.003715 -0.009752
7.88582 9.71337 11.41294 -0.012438 -0.021549 -0.026813
7.90588 7.26091 16.85699 0.007046 0.063705 -0.040370
11.07224 14.64349 6.08452 -0.011759 -0.002508 0.018631
9.97410 0.03402 5.82220 -0.034791 0.002840 0.046867
11.77786 16.49122 3.26041 -0.012108 -0.007232 0.033640
6.65717 11.67689 9.40508 -0.011283 -0.003190 -0.014535
7.76961 15.24886 11.07941 -0.002553 0.005526 -0.028593
8.52712 0.41686 12.29829 -0.027474 0.000811 -0.035416
13.11181 17.12784 0.26607 -0.004761 -0.022557 0.010944
13.20693 2.50512 1.34897 0.001956 -0.023597 -0.002410
17.29335 3.71694 3.19979 -0.695630 -0.002246 0.035249
14.20035 4.69758 3.69278 -0.034385 0.022035 0.080980
14.59997 3.56179 12.23787 -0.004687 0.000298 -0.029497
13.57708 5.48481 0.72232 -0.009512 0.010164 -0.018398
12.29749 8.18631 0.22048 -0.006905 0.010038 -0.000968
16.86596 10.59176 5.62457 0.000886 0.002604 0.016641
16.66958 8.43890 13.63905 -0.010910 0.029386 -0.036522
16.67265 11.67449 14.15979 0.003500 -0.000244 -0.011535
14.70756 7.45696 15.98014 -0.017148 0.014760 -0.024204
16.06899 0.34084 4.92526 0.031212 -0.018351 0.062337
14.63768 15.41566 3.05858 -0.000317 -0.006176 0.023144
12.21694 15.07373 9.87203 -0.003995 -0.001738 -0.004639
15.65466 0.14914 13.86557 -0.006783 -0.019858 -0.034331
14.35754 15.71932 11.91759 -0.002112 -0.006619 -0.016037
14.30081 12.83268 16.21967 0.002387 -0.004022 -0.001638
8.77223 10.39607 2.47225 -0.015772 -0.020568 -0.012960
12.91187 8.54216 10.48161 -0.002130 0.001466 0.005298
8.49467 15.82840 2.99445 -0.005151 0.016773 -0.015981
1.32045 2.68577 1.08043 -0.354766 -0.761103 -0.737039
5.44581 4.42337 3.31859 -5.861745 -0.464511 6.469168
2.71895 4.15019 2.95898 4.168130 0.664987 7.343091
2.89361 2.63574 7.84048 0.547521 0.095062 -0.460328
3.72928 2.61904 13.46082 0.022278 0.081425 -0.163735
1.12195 3.42722 9.72736 0.080697 -0.067054 -0.303151
2.69176 4.49808 11.70258 -0.110159 0.012411 -0.204602
1.13271 5.33613 0.95032 -0.432289 0.661656 -0.754929
4.03043 8.42197 5.67301 -0.195322 -1.018087 0.360238
3.75157 11.03623 5.64253 0.004810 -0.185525 0.024500
2.52170 7.25791 7.75547 0.409540 -0.174257 -0.519452
17.39856 7.13193 7.68295 0.247703 0.002746 0.079708
1.18188 6.06412 9.94036 0.060965 0.060184 -0.167063
1.18202 8.73358 9.65531 0.066148 -0.181093 -0.152572
3.91098 11.84592 13.59643 -0.002786 -0.025005 -0.076972
5.12928 10.31683 11.41789 0.036215 -0.035779 -0.061399
2.50977 10.51875 11.46580 -0.016681 -0.027026 -0.049062
17.45087 6.59897 16.12377 -0.178997 0.106100 -0.214715
3.55980 13.67281 5.25157 0.017639 -0.027335 0.086173
1.28803 14.62748 0.64715 0.004396 -0.073510 -0.012497
4.98905 14.24610 3.11864 -0.011158 -0.007777 0.045377
2.40264 15.06164 3.08512 0.089052 -0.086471 0.119915
2.72172 12.72875 7.62075 0.038510 -0.016232 -0.026303
1.06333 11.39589 9.35618 0.014023 -0.034705 -0.014733
3.61212 17.43666 14.11103 0.029117 -0.147513 -0.133011
2.61877 15.69429 12.36150 -0.034306 -0.009884 -0.068019
2.80206 13.36593 15.83914 0.024054 -0.007367 -0.024806
17.47316 13.58140 16.05649 -0.010792 -0.009508 -0.011312
9.77890 2.08644 1.42003 0.102964 -0.049025 0.006453
11.39452 4.37239 2.86549 0.076718 0.009622 0.018165
5.75314 2.47184 7.89843 -0.645360 0.157232 -0.527061
10.58974 3.42804 13.84178 0.002219 0.054918 -0.118969
7.29963 3.26088 10.01774 -0.081277 -0.070884 -0.160236
10.61644 6.04073 13.30213 -0.027562 -0.017656 -0.044684
8.72282 4.57356 11.93667 -0.110174 0.008272 -0.104917
6.87268 5.85394 1.60201 0.223031 0.339506 -0.428198
10.69996 7.99849 7.09252 -0.046657 0.017809 0.057926
5.73707 8.23825 1.01832 0.011251 0.313119 0.089544
10.63831 11.82289 5.95914 -0.015404 0.004816 0.021437
12.27791 10.92294 3.59234 0.000361 0.000662 0.015977
7.82470 9.40720 2.06031 0.007046 0.089341 0.060809
7.06519 5.95381 10.03323 -0.132756 0.122297 -0.241085
11.49637 8.56646 14.11248 -0.009973 0.032458 -0.022026
6.22218 8.54831 9.46647 -0.073087 -0.229321 -0.151388
10.64255 10.88430 15.28736 0.004160 -0.000034 -0.020935
5.27533 6.08183 16.89617 -0.032668 0.128519 -0.231256
6.19392 10.87447 0.49133 -0.000244 0.055795 0.024933
6.63594 13.50144 0.40946 0.002714 0.000907 0.008476
9.20318 15.33527 4.12194 0.003750 -0.009785 0.046193
8.65369 12.87516 7.41323 -0.076603 -0.006496 0.026097
5.50203 12.61795 6.94111 -0.032031 -0.012643 -0.010231
10.10713 13.64215 15.27789 0.000658 -0.002593 -0.008708
10.67911 0.87544 14.08625 -0.011602 -0.059695 -0.098020
11.60356 17.20368 11.75834 0.000475 -0.010647 -0.023818
8.39118 11.91622 16.60701 0.002464 0.009303 -0.000582
5.50451 12.34914 15.80657 -0.017657 0.014347 -0.021975
15.73327 3.04046 5.55542 -0.020976 -0.168137 0.312603
16.46394 5.60663 5.46979 0.109622 0.229703 0.294446
14.52808 1.45286 7.47168 0.058634 -0.020399 0.029134
11.79275 1.56088 7.78873 -0.017982 -0.011848 0.032132
13.32704 0.21681 9.64565 0.015937 0.011412 -0.019076
16.41790 2.90736 14.26355 -0.015786 0.057524 -0.105694
13.45171 2.82808 9.57211 0.006225 -0.006911 -0.012932
16.10069 5.57752 13.99343 -0.002780 -0.050750 -0.090628
0.00005 4.40711 11.99025 0.125091 0.019558 -0.176788
14.62884 1.73967 16.17160 -0.028884 -0.013624 -0.028314
11.98368 2.03831 16.06725 0.008349 -0.013953 -0.030555
15.63239 8.11986 5.68103 0.040282 -0.010445 0.067480
17.11138 8.55854 3.60414 0.020308 0.010282 0.105081
14.79559 9.98222 3.60061 0.036684 -0.016014 0.045523
14.83832 6.40254 7.47085 0.046857 0.024556 0.028137
10.26118 5.42988 7.96507 -0.039128 0.008443 0.042865
13.84142 5.42996 10.14226 0.007816 0.010403 -0.014246
12.90067 9.94534 10.26834 -0.000663 -0.002731 -0.010003
17.40760 10.25314 11.57387 0.083508 -0.009834 -0.109054
14.84553 10.65634 12.01294 -0.005626 0.007719 -0.024075
12.09160 6.31793 15.56215 -0.017349 0.013692 -0.059612
13.66330 11.76838 1.50243 0.007661 -0.007559 0.029603
15.90808 14.97969 5.66759 0.005030 -0.039718 0.070489
12.90234 14.38066 1.10662 0.001414 -0.023739 0.007950
17.39979 15.79595 3.12260 -0.042757 -0.025882 0.090103
14.24465 13.87010 7.98683 0.018042 -0.000046 -0.002761
11.50975 12.98027 8.22780 -0.015130 -0.009576 0.001839
13.37751 12.44417 10.26044 -0.000124 0.010867 -0.017663
15.76289 14.59733 14.23402 0.001884 0.000809 -0.023134
17.35248 15.55367 12.27553 0.071620 -0.006677 -0.070644
11.51892 12.39014 17.28946 0.000281 0.001015 0.002070
2.14782 0.44560 2.19550 -0.017822 0.045188 -0.038093
3.29477 2.11300 4.94555 0.026206 0.565500 -0.142653
2.45654 5.15830 5.71352 -0.807096 0.502646 0.679873
17.13665 1.28635 8.55333 0.026130 0.014490 0.010616
2.05496 17.16622 9.63831 0.006133 -0.006685 0.005122
2.76007 4.61458 14.97268 0.016654 -0.001919 0.010452
5.82104 5.64963 12.65472 -0.000087 -0.003356 0.007972
1.99867 2.73895 15.76239 -0.006938 -0.007925 0.019281
16.62702 0.41219 17.23014 -0.005812 0.005572 0.005408
0.53299 8.97932 0.15968 -0.008518 0.029669 0.015074
6.28070 9.99466 4.05905 0.014226 0.009891 0.000306
2.80484 10.34140 2.60493 0.020847 -0.037172 0.019022
5.85876 7.59725 14.24081 0.009558 0.001862 0.006486
2.33378 8.07412 16.06384 0.011459 0.029117 -0.014800
0.72196 11.42800 1.39191 -0.000468 0.000369 0.001141
4.17641 17.36384 8.00554 0.000697 0.071636 -0.049899
0.17664 14.81238 7.80592 -0.001661 0.000208 0.003563
5.28314 15.15948 14.98492 -0.005915 0.002328 0.001233
1.99589 13.21868 11.02572 -0.000314 0.005994 0.006257
4.90269 16.46159 10.85427 -0.004736 -0.009592 -0.002397
11.44760 2.27402 4.62061 -0.006350 -0.002811 0.008086
6.42001 2.18281 1.50214 -0.022181 0.066323 0.016723
11.20298 6.44871 5.00937 0.002638 0.018107 0.019768
8.23943 2.94593 3.71752 0.011026 -0.004446 -0.011082
9.07830 3.43667 7.86385 -0.003826 0.002416 0.004722
8.13841 17.45818 9.05432 -0.009367 0.021251 -0.008085
11.09062 4.59939 10.31069 0.003575 -0.000168 -0.000980
8.29143 2.75175 15.42638 -0.006103 0.000522 0.011497
8.82941 17.22992 17.22214 -0.001142 -0.024618 -0.000375
7.50840 7.62286 6.62087 0.024739 0.013359 -0.019847
4.60511 5.74329 8.41778 -0.010540 0.003642 0.030783
12.92668 11.75537 13.63632 -0.000904 -0.001439 0.003869
8.02117 10.55523 12.10517 -0.006179 -0.003718 -0.000117
8.67556 7.71636 17.49570 0.002833 -0.004684 0.002035
11.47875 15.24589 6.91703 0.000751 -0.001125 0.005794
9.35972 16.97903 6.56192 -0.002543 -0.012945 0.008119
11.03713 17.07922 2.67792 0.001444 0.001916 0.003786
7.42775 12.08916 10.09180 -0.000415 -0.008966 0.002420
7.92017 14.83580 12.09082 -0.003073 0.010941 0.003998
8.50905 1.48718 11.99359 0.002176 -0.002141 0.017301
13.83892 16.58967 17.12637 0.003100 -0.002449 0.008183
14.18064 2.16404 1.76300 0.009068 0.011290 -0.001740
0.22637 2.85420 3.74771 0.040364 0.047928 -0.057200
13.55731 4.46328 4.56374 -0.038802 0.014717 0.000646
13.93368 3.48067 13.12140 0.007504 0.003687 0.004208
14.29477 4.78199 0.25086 0.005625 0.006936 0.010855
12.05112 9.01860 17.04503 -0.001247 0.002060 0.005716
16.27694 10.80430 6.52497 0.001263 0.001684 0.005318
16.72250 7.84092 12.70809 -0.001209 0.001127 -0.002332
0.08131 12.14367 13.72814 0.002369 0.002390 0.007326
15.18747 8.06134 16.77823 0.004435 -0.008275 0.001360
15.33129 0.80027 4.23469 0.016873 0.011503 0.020929
15.22283 14.74953 2.39790 0.001745 0.003143 0.003952
11.52991 14.60593 10.60396 0.002235 -0.000448 0.005426
14.54913 0.08259 13.94141 -0.003232 -0.003499 -0.001576
13.64918 15.17179 12.57877 0.001158 0.001295 0.004722
14.26990 11.73639 16.04700 -0.000056 -0.001267 0.004138
2.83011 17.00291 0.89614 0.005726 -0.008384 0.006269
5.01762 2.19884 4.72481 -0.241041 0.850116 -0.232467
2.72197 6.40768 4.52960 0.776036 -0.950312 -0.515948
0.61592 0.85326 7.17988 -0.012063 -0.017015 0.006033
1.05804 0.47662 10.87149 0.000078 -0.006138 0.011990
2.72869 6.02833 13.97220 -0.004408 0.000001 0.002451
6.27365 4.07474 13.21275 -0.006789 0.001439 -0.009758
3.39789 2.54642 16.78232 -0.024608 -0.009178 0.033460
0.26647 0.03376 15.97352 -0.023376 -0.013570 -0.011688
16.86896 8.04953 1.06168 -0.001466 -0.001473 0.010998
5.26691 11.21282 3.35522 -0.016974 -0.001164 0.026345
1.79651 10.63408 3.97172 0.009971 -0.004086 0.016652
4.24367 8.25477 13.91418 -0.005072 0.009607 -0.002571
3.20146 7.72932 0.04071 0.007694 -0.033354 0.003172
17.29565 11.52683 2.88643 -0.005739 0.018296 0.002568
5.09458 17.34903 6.48077 0.010452 -0.030545 0.009375
16.80060 13.95067 9.04167 0.002496 -0.001203 0.005918
5.65314 14.35380 13.49055 0.004989 -0.004001 0.006214
2.85103 14.37043 10.06567 0.005266 -0.004835 0.008594
4.88020 0.46410 11.72901 -0.001735 0.003665 0.017320
11.82432 3.49932 5.78478 0.021081 -0.026903 0.019784
6.33916 3.40343 0.25044 -0.014345 0.003712 0.045649
9.59394 6.71839 4.41200 -0.003453 -0.018101 -0.005912
7.91802 4.38505 4.66043 -0.020778 0.039522 -0.055366
8.23543 2.62518 6.58554 0.033768 0.013511 -0.020993
6.41431 17.32071 8.88054 0.010864 -0.026941 0.009144
11.14557 3.00954 10.98712 0.002725 -0.002239 0.004547
9.36027 3.86210 16.23230 -0.004108 -0.002433 0.014103
7.53966 17.41529 0.94072 -0.003998 0.011220 0.001550
8.48774 8.36338 7.84778 -0.019158 -0.006921 0.019592
5.72768 5.64505 7.08615 0.126252 -0.015158 0.044787
11.53162 12.14308 12.66419 0.001042 0.002065 0.004780
7.77778 8.79967 12.01567 0.001085 0.003966 0.009876
7.67148 7.97660 16.05599 0.014777 0.008485 -0.010506
11.96712 14.11387 5.69832 -0.003251 -0.000543 0.002166
9.20674 0.45352 5.13285 0.009635 0.005563 -0.005749
12.42086 17.27854 3.71166 -0.001967 0.001201 0.000235
5.72984 12.20671 9.71226 -0.001656 -0.004136 0.008281
7.06651 14.59485 10.54611 -0.000076 -0.003775 0.005689
8.18003 0.43236 13.34917 -0.004155 -0.000227 -0.000018
12.13433 16.79403 17.35819 -0.002612 -0.001014 0.006688
12.47800 1.85419 1.86970 -0.010686 0.004666 -0.000942
16.61133 3.22326 2.47663 -0.178591 -0.064790 0.099912
14.18380 5.80672 3.64923 -0.016405 0.006976 0.001240
14.87276 2.50739 12.03337 -0.003262 -0.002506 0.007203
14.23243 6.19147 1.27631 0.005949 -0.005888 0.001170
12.93327 8.58137 1.02753 0.003333 -0.002625 0.001897
0.31818 10.15222 5.96061 0.002920 0.006601 0.006438
0.23893 8.66414 13.84372 -0.001412 -0.002491 0.012273
17.08408 11.06555 14.99139 -0.001841 -0.001873 -0.000112
14.24371 8.22849 15.33189 -0.005599 0.006755 0.004580
17.03243 0.72423 4.52831 -0.017213 0.014664 -0.016755
14.06257 14.70897 3.69175 0.000527 -0.002901 0.004782
11.55248 15.52990 9.11606 -0.000462 -0.000356 0.001267
15.79992 0.71375 12.92180 -0.006075 -0.000168 -0.005339
14.66771 14.92743 11.20480 -0.004899 -0.004299 0.001303
13.59723 13.22883 15.45681 -0.001124 0.001261 0.005016
0.28893 16.96969 9.61776 -0.001823 -0.004071 0.004935
5.14861 8.79609 15.34428 -0.001358 -0.009654 0.008177
16.57887 10.76457 1.44815 0.010626 -0.012733 0.008713
3.32280 17.43531 6.45000 -0.025414 -0.042668 0.000865
7.22345 0.33037 16.74849 -0.002957 0.006672 0.010193
8.80270 9.61454 10.81195 0.004155 0.001555 0.006037
8.32656 6.35754 16.39008 -0.009647 -0.004094 0.015374
8.73549 15.20213 10.55252 0.002306 -0.003465 0.005209
11.35757 7.84337 0.68199 0.000236 -0.002426 0.000592
17.07689 11.54135 5.11708 0.000285 -0.003732 0.002638
1.05898 4.30352 7.32607 0.079122 0.049113 -0.061670
4.03509 12.56543 11.20951 0.001190 -0.003038 -0.007247
2.98241 12.61908 2.99845 0.005356 -0.006962 0.017471
13.02951 6.77394 13.23542 -0.002305 0.000963 -0.005905
9.81405 10.04557 13.02717 -0.000990 0.003230 -0.002114
14.38062 12.44509 3.83928 0.001955 -0.000900 0.008172
15.29130 12.60070 6.14349 0.005850 -0.003250 0.009368
1.51212 12.17674 0.04632 0.001843 -0.004932 -0.000094
5.20365 1.54821 15.21091 0.012314 -0.011296 -0.034237
6.79297 14.20253 8.32851 -0.008051 0.004124 0.004863
11.61515 7.96197 6.76612 -0.014950 -0.007196 -0.006488
10.25461 10.96603 6.21744 0.005509 -0.001747 -0.002958
11.90891 11.26603 4.43245 0.004918 -0.002593 -0.006406
8.53540 10.78259 3.48001 0.003378 0.006989 0.013155
9.76681 9.93079 2.50215 0.000058 -0.001082 0.004071
8.80784 11.23977 1.76494 0.002442 0.004732 0.004751
14.97448 6.01037 8.35394 -0.022087 -0.003993 0.013713
10.93413 4.83383 7.59381 -0.001468 0.004451 -0.013881
13.14865 5.92816 9.67432 -0.001088 0.000260 0.006167
12.65000 8.06887 9.52187 -0.000295 -0.000945 0.001066
13.90414 8.18239 10.79823 -0.001560 -0.000498 0.007102
12.16474 8.24325 11.23577 0.003863 -0.000616 0.005254
5.27827 14.04824 2.20496 0.008116 0.005445 -0.010814
10.20084 2.92381 1.69633 -0.033980 -0.002237 0.004719
7.46833 14.00510 0.41146 -0.000833 0.007739 -0.000194
7.48179 15.39929 3.01468 0.002081 -0.004832 -0.000954
8.41010 16.93048 3.00754 0.004790 -0.004239 -0.004588
8.99741 15.53505 2.05618 -0.006881 0.005481 0.009470
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 4 DIRECTION 3 : 0.072 0.225 3.101
rigid augmentation : 0.000 0.000 0.196
ionic contribution : 0.000 0.000 4.000
Berry contribution : 0.072 0.225 -1.095
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 13/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 16( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258790; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259114; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01042441
-V(xc)+E(xc) XCENC = 0.02063033
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03727102
---------------------------------------------------
free energy TOTEN = -0.02706510 eV
energy without entropy = -0.02706510
----------------------------------------- Iteration 16( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258790; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259114; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10543E+01 rms(broyden)= 0.10534E+01
rms(prec ) = 0.11208E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01042441
-V(xc)+E(xc) XCENC = 0.02063033
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01352068
---------------------------------------------------
free energy TOTEN = -0.00331476 eV
energy without entropy = -0.00331476
----------------------------------------- Iteration 16( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258766; 1190.000000 electrons
Band energy:-0.912024E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258703; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.64089E+00 rms(broyden)= 0.64081E+00
rms(prec ) = 0.68539E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4570
2.4570
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00982599
-V(xc)+E(xc) XCENC = 0.01803530
PAW double counting = 0.02446253 -0.02446507
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01327107
---------------------------------------------------
free energy TOTEN = -0.00506428 eV
energy without entropy = -0.00506428
----------------------------------------- Iteration 16( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258712; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258710; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10804E+00 rms(broyden)= 0.10790E+00
rms(prec ) = 0.13575E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0421
1.6778 2.4064
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00927010
-V(xc)+E(xc) XCENC = 0.01666492
PAW double counting = 0.15663862 -0.15665174
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01325005
---------------------------------------------------
free energy TOTEN = -0.00586835 eV
energy without entropy = -0.00586835
----------------------------------------- Iteration 16( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258909; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258727; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54747E-01 rms(broyden)= 0.54714E-01
rms(prec ) = 0.71520E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6962
2.5653 1.7041 0.8192
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00891648
-V(xc)+E(xc) XCENC = 0.01625864
PAW double counting = 0.16838857 -0.16840031
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01350088
---------------------------------------------------
free energy TOTEN = -0.00617047 eV
energy without entropy = -0.00617047
----------------------------------------- Iteration 16( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258902; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258735; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28838E-01 rms(broyden)= 0.28828E-01
rms(prec ) = 0.42481E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7185
2.6427 2.2337 0.9988 0.9988
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00890043
-V(xc)+E(xc) XCENC = 0.01626824
PAW double counting = 0.17313132 -0.17314360
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01351252
---------------------------------------------------
free energy TOTEN = -0.00615697 eV
energy without entropy = -0.00615697
----------------------------------------- Iteration 16( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258892; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258691; 1190.000000 electrons
Band energy:-0.912007E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.14068E-01 rms(broyden)= 0.14059E-01
rms(prec ) = 0.22604E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8435
3.0216 2.4260 1.8405 0.9648 0.9648
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887232
-V(xc)+E(xc) XCENC = 0.01630217
PAW double counting = 0.17267937 -0.17269159
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353237
---------------------------------------------------
free energy TOTEN = -0.00611473 eV
energy without entropy = -0.00611473
----------------------------------------- Iteration 16( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258883; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258700; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53379E-02 rms(broyden)= 0.53284E-02
rms(prec ) = 0.89316E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8320
3.6294 2.4489 1.7932 1.0875 1.0164 1.0164
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887053
-V(xc)+E(xc) XCENC = 0.01638611
PAW double counting = 0.17116104 -0.17117326
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01352810
---------------------------------------------------
free energy TOTEN = -0.00602474 eV
energy without entropy = -0.00602474
----------------------------------------- Iteration 16( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258879; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258704; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.33503E-02 rms(broyden)= 0.33464E-02
rms(prec ) = 0.47934E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9445
4.0907 2.5102 2.4662 1.5290 1.0103 1.0025 1.0025
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00885960
-V(xc)+E(xc) XCENC = 0.01639708
PAW double counting = 0.17111373 -0.17112597
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353401
---------------------------------------------------
free energy TOTEN = -0.00600877 eV
energy without entropy = -0.00600877
----------------------------------------- Iteration 16( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258876; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258707; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.13877E-02 rms(broyden)= 0.13848E-02
rms(prec ) = 0.19113E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9789
4.6825 2.9074 2.4234 1.7058 1.2460 0.9704 0.9704 0.9249
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00885890
-V(xc)+E(xc) XCENC = 0.01640265
PAW double counting = 0.17104895 -0.17106117
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353223
---------------------------------------------------
free energy TOTEN = -0.00600070 eV
energy without entropy = -0.00600070
----------------------------------------- Iteration 16( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258875; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258708; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.52775E-03 rms(broyden)= 0.52650E-03
rms(prec ) = 0.79697E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9677
4.9202 2.9054 2.4916 1.9563 1.4541 1.0291 1.0291 0.9617 0.9617
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00885870
-V(xc)+E(xc) XCENC = 0.01640087
PAW double counting = 0.17108395 -0.17109617
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353161
---------------------------------------------------
free energy TOTEN = -0.00600166 eV
energy without entropy = -0.00600166
----------------------------------------- Iteration 16( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258875; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258708; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.27464E-03 rms(broyden)= 0.27428E-03
rms(prec ) = 0.41902E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9801
4.9923 3.2614 2.5627 2.3039 1.6987 1.0915 1.0915 0.9395 0.9395 0.9206
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00885844
-V(xc)+E(xc) XCENC = 0.01639934
PAW double counting = 0.17114617 -0.17115840
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353172
---------------------------------------------------
free energy TOTEN = -0.00600306 eV
energy without entropy = -0.00600306
----------------------------------------- Iteration 16( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258875; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258708; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12027E-03 rms(broyden)= 0.12008E-03
rms(prec ) = 0.18832E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9926
5.0704 3.6093 2.6127 2.4275 1.8600 1.4006 1.1104 1.0660 0.9493 0.9493
0.8625
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00885862
-V(xc)+E(xc) XCENC = 0.01639911
PAW double counting = 0.17114099 -0.17115321
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353126
---------------------------------------------------
free energy TOTEN = -0.00600300 eV
energy without entropy = -0.00600300
----------------------------------------- Iteration 16( 14) ---------------------------------------
BZINTS: Fermi energy: 0.258875; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258708; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56313E-04 rms(broyden)= 0.56222E-04
rms(prec ) = 0.88641E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9918
5.2184 3.8991 2.8385 2.4388 2.0091 1.6219 1.1645 0.9593 0.9593 1.0016
1.0016 0.7890
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00885881
-V(xc)+E(xc) XCENC = 0.01639921
PAW double counting = 0.17113342 -0.17114564
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01353121
---------------------------------------------------
free energy TOTEN = -0.00600304 eV
energy without entropy = -0.00600304
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0113 0.00000
5 0.2032 0.00000
6 0.2314 0.00000
7 0.0104 0.00000
8 0.0776 0.00000
9 0.2433 0.00000
10 0.0592 0.00000
11 -0.0158 0.00000
12 -0.0323 0.00000
13 -0.0478 0.00000
14 -0.0441 0.00000
15 -0.3824 0.00000
16 0.0013 0.00000
17 -0.0332 0.00000
18 0.0706 0.00000
19 -0.0319 0.00000
20 -0.0426 0.00000
21 -0.0275 0.00000
22 -0.1858 0.00000
23 0.1230 0.00000
24 0.0262 0.00000
25 -0.6464 0.00000
26 0.1539 0.00000
27 0.0706 0.00000
28 -0.9014 0.00000
29 -0.0038 0.00000
30 -0.0949 0.00000
31 -0.3473 0.00000
32 -1.1867 0.00000
33 0.1484 0.00000
34 0.2968 0.00000
35 0.1083 0.00000
36 -0.0687 0.00000
37 -0.7297 0.00000
38 0.0103 0.00000
39 -0.1296 0.00000
40 0.2723 0.00000
41 -0.0485 0.00000
42 -0.0979 0.00000
43 0.4009 0.00000
44 -0.1704 0.00000
45 -0.0407 0.00000
46 -0.4466 0.00000
47 0.0189 0.00000
48 -0.1311 0.00000
49 0.0501 0.00000
50 0.0068 0.00000
51 0.0535 0.00000
52 -0.1095 0.00000
53 0.0754 0.00000
54 -0.0458 0.00000
55 -0.0477 0.00000
56 -0.0083 0.00000
57 0.0297 0.00000
58 -0.0470 0.00000
59 -0.1709 0.00000
60 0.0219 0.00000
61 -0.5137 0.00000
62 -0.1573 0.00000
63 -0.1907 0.00000
64 -0.0273 0.00000
65 0.1283 0.00000
66 -0.0663 0.00000
67 0.0964 0.00000
68 -0.1365 0.00000
69 0.0456 0.00000
70 0.0430 0.00000
71 0.3012 0.00000
72 0.0741 0.00000
73 0.0454 0.00000
74 -0.0013 0.00000
75 -0.0201 0.00000
76 0.0055 0.00000
77 -0.0095 0.00000
78 -0.0584 0.00000
79 -0.0389 0.00000
80 0.0213 0.00000
81 -0.1116 0.00000
82 0.1487 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0781 0.00000
90 -0.0873 0.00000
91 -0.0305 0.00000
92 -0.1511 0.00000
93 0.0558 0.00000
94 0.0023 0.00000
95 0.0631 0.00000
96 0.0616 0.00000
97 0.0233 0.00000
98 -0.1787 0.00000
99 -0.2605 0.00000
100 -0.0163 0.00000
101 -0.4891 0.00000
102 0.7205 0.00000
103 -0.1028 0.00000
104 0.1742 0.00000
105 0.0447 0.00000
106 0.0421 0.00000
107 0.1137 0.00000
108 0.0876 0.00000
109 0.0798 0.00000
110 0.3229 0.00000
111 0.1720 0.00000
112 0.1597 0.00000
113 0.0911 0.00000
114 -0.1703 0.00000
115 -0.0689 0.00000
116 -0.0997 0.00000
117 -0.1614 0.00000
118 0.0586 0.00000
119 0.0618 0.00000
120 0.2003 0.00000
121 0.6948 0.00000
122 -0.1884 0.00000
123 0.1083 0.00000
124 0.2749 0.00000
125 -0.0743 0.00000
126 -0.3968 0.00000
127 -0.0606 0.00000
128 -0.0537 0.00000
129 0.0309 0.00000
130 0.0215 0.00000
131 0.1547 0.00000
132 -0.0345 0.00000
133 0.0373 0.00000
134 -0.1969 0.00000
135 0.0666 0.00000
136 -0.1400 0.00000
137 -0.0438 0.00000
138 -0.3734 0.00000
139 0.0872 0.00000
140 0.0659 0.00000
141 -0.1039 0.00000
142 -0.0073 0.00000
143 0.0703 0.00000
144 0.0734 0.00000
145 0.0569 0.00000
146 0.0000 0.00000
147 -0.0132 0.00000
148 0.1220 0.00000
149 0.1242 0.00000
150 0.2049 0.00000
151 0.0593 0.00000
152 -0.0470 0.00000
153 0.0479 0.00000
154 0.0616 0.00000
155 0.1301 0.00000
156 -0.1722 0.00000
157 0.0533 0.00000
158 -0.0027 0.00000
159 -0.1879 0.00000
160 0.0092 0.00000
161 -0.0256 0.00000
162 0.0128 0.00000
163 -0.0518 0.00000
164 -0.8659 0.00000
165 -0.1788 0.00000
166 0.0341 0.00000
167 0.0435 0.00000
168 -0.0563 0.00000
169 0.0398 0.00000
170 -0.0836 0.00000
171 -0.3017 0.00000
172 0.0222 0.00000
173 0.0523 0.00000
174 0.0311 0.00000
175 0.1066 0.00000
176 -0.1010 0.00000
177 -0.3047 0.00000
178 -0.0699 0.00000
179 -0.0639 0.00000
180 -0.0091 0.00000
181 -0.0282 0.00000
182 -0.0130 0.00000
183 -0.0112 0.00000
184 0.0195 0.00000
185 -0.0358 0.00000
186 0.0187 0.00000
187 0.0123 0.00000
188 -0.1082 0.00000
189 0.0231 0.00000
190 -0.0231 0.00000
191 0.0807 0.00000
192 0.0147 0.00000
193 0.0925 0.00000
194 -0.0168 0.00000
195 0.1178 0.00000
196 0.0273 0.00000
197 0.0683 0.00000
198 0.1307 0.00000
199 -0.0179 0.00000
200 -0.0122 0.00000
201 0.0079 0.00000
202 0.0159 0.00000
203 0.0273 0.00000
204 -0.0529 0.00000
205 0.0100 0.00000
206 0.0952 0.00000
207 0.0355 0.00000
208 0.0611 0.00000
209 0.0518 0.00000
210 -0.2483 0.00000
211 -0.0853 0.00000
212 0.0619 0.00000
213 -0.0026 0.00000
214 0.0885 0.00000
215 0.0213 0.00000
216 -0.1050 0.00000
217 0.0627 0.00000
218 0.2884 0.00000
219 0.0360 0.00000
220 -0.4748 0.00000
221 -0.5007 0.00000
222 0.0128 0.00000
223 -0.0144 0.00000
224 -0.1332 0.00000
225 0.0013 0.00000
226 -0.0087 0.00000
227 -0.0306 0.00000
228 0.0638 0.00000
229 0.1361 0.00000
230 0.0024 0.00000
231 -0.0895 0.00000
232 -0.0524 0.00000
233 -0.0517 0.00000
234 -0.0010 0.00000
235 -0.0400 0.00000
236 -0.0326 0.00000
237 -0.0091 0.00000
238 -0.0105 0.00000
239 -0.0082 0.00000
240 -0.0316 0.00000
241 -0.0310 0.00000
242 -0.1118 0.00000
243 -0.0529 0.00000
244 -0.0323 0.00000
245 0.0011 0.00000
246 0.0187 0.00000
247 0.0579 0.00000
248 0.0478 0.00000
249 -0.0220 0.00000
250 0.0360 0.00000
251 0.0375 0.00000
252 -0.0781 0.00000
253 -0.0202 0.00000
254 0.1119 0.00000
255 -0.0211 0.00000
256 0.0714 0.00000
257 0.0309 0.00000
258 0.4719 0.00000
259 0.0256 0.00000
260 -0.0097 0.00000
261 0.0906 0.00000
262 0.0214 0.00000
263 0.0174 0.00000
264 0.0674 0.00000
265 -0.0397 0.00000
266 -0.0720 0.00000
267 0.0315 0.00000
268 0.0236 0.00000
269 -0.1434 0.00000
270 0.0086 0.00000
271 -0.0310 0.00000
272 -0.0203 0.00000
273 -0.0423 0.00000
274 -0.0666 0.00000
275 -0.0163 0.00000
276 -0.0412 0.00000
277 0.0046 0.00000
278 -0.0588 0.00000
279 0.0513 0.00000
280 -0.0032 0.00000
281 -0.0152 0.00000
282 0.0047 0.00000
283 -0.0069 0.00000
284 -0.0167 0.00000
285 0.0615 0.00000
286 -0.0119 0.00000
287 0.0189 0.00000
288 -0.0237 0.00000
289 0.1749 0.00000
290 0.0203 0.00000
291 -0.0855 0.00000
292 -0.0212 0.00000
293 -0.0081 0.00000
294 -0.0300 0.00000
295 -0.0558 0.00000
296 0.0261 0.00000
297 -0.0111 0.00000
298 -0.0490 0.00000
299 -0.0184 0.00000
300 0.0496 0.00000
301 -0.0363 0.00000
302 -0.0056 0.00000
303 0.0180 0.00000
304 0.0280 0.00000
305 0.1319 0.00000
306 -0.0287 0.00000
307 -0.0683 0.00000
308 -0.1059 0.00000
309 -0.0340 0.00000
310 0.0435 0.00000
311 -0.1214 0.00000
312 -0.0134 0.00000
313 -0.0308 0.00000
314 -0.1141 0.00000
315 -0.0562 0.00000
316 -0.0483 0.00000
317 -0.0614 0.00000
318 -0.0000 0.00000
319 0.0789 0.00000
320 -0.0662 0.00000
321 -0.0256 0.00000
322 -0.0225 0.00000
323 0.0006 0.00000
324 0.0741 0.00000
325 0.0047 0.00000
326 -0.0093 0.00000
327 -0.0318 0.00000
328 -0.1008 0.00000
329 -0.0161 0.00000
330 -0.0401 0.00000
331 -0.0218 0.00000
332 -0.1000 0.00000
333 0.0002 0.00000
334 0.0860 0.00000
335 -0.0362 0.00000
336 -0.0294 0.00000
337 -0.0126 0.00000
338 -0.0000 0.00000
339 -0.1695 0.00000
340 0.0298 0.00000
341 -0.0527 0.00000
342 0.0418 0.00000
343 -0.0102 0.00000
344 -0.0351 0.00000
345 0.0128 0.00000
346 -0.0077 0.00000
347 -0.0446 0.00000
348 0.0352 0.00000
349 -0.0464 0.00000
350 -0.0112 0.00000
351 0.0417 0.00000
352 0.0312 0.00000
353 -0.0639 0.00000
354 0.0361 0.00000
355 0.0396 0.00000
356 0.0880 0.00000
357 -0.0043 0.00000
358 0.0097 0.00000
359 0.0018 0.00000
360 0.0333 0.00000
361 0.0022 0.00000
362 0.0549 0.00000
363 -0.0330 0.00000
364 -0.0249 0.00000
365 -0.0063 0.00000
366 -0.0160 0.00000
367 0.0895 0.00000
368 -0.1462 0.00000
369 -0.1398 0.00000
370 0.0219 0.00000
371 -0.0734 0.00000
372 0.0652 0.00000
373 -0.0652 0.00000
374 -0.0234 0.00000
375 0.0574 0.00000
376 0.0682 0.00000
377 0.0062 0.00000
378 0.0255 0.00000
379 -0.0122 0.00000
380 -0.0076 0.00000
381 0.0279 0.00000
382 0.0744 0.00000
383 -0.0075 0.00000
384 -0.0476 0.00000
385 0.1707 0.00000
386 0.0919 0.00000
387 -0.0978 0.00000
388 0.0472 0.00000
389 0.0072 0.00000
390 0.0308 0.00000
391 -0.1161 0.00000
392 -0.0574 0.00000
393 -0.0193 0.00000
394 0.0683 0.00000
395 0.0090 0.00000
396 -0.0068 0.00000
397 -0.0416 0.00000
398 0.0198 0.00000
399 -0.0054 0.00000
400 0.0181 0.00000
401 -0.2024 0.00000
402 -0.0285 0.00000
403 0.0726 0.00000
404 0.0088 0.00000
405 0.0682 0.00000
406 0.0392 0.00000
407 -0.0028 0.00000
408 0.0293 0.00000
409 -0.0037 0.00000
410 0.0390 0.00000
411 -0.0013 0.00000
412 0.0288 0.00000
413 0.0054 0.00000
414 0.0526 0.00000
415 -0.0730 0.00000
416 -0.0579 0.00000
417 -0.0575 0.00000
418 -0.0647 0.00000
419 0.0170 0.00000
420 -0.0094 0.00000
421 -0.0493 0.00000
422 0.0131 0.00000
423 0.0888 0.00000
424 -0.0053 0.00000
425 0.0214 0.00000
426 -0.0156 0.00000
427 0.0265 0.00000
428 -0.0032 0.00000
429 -0.0135 0.00000
430 0.1470 0.00000
431 -0.0758 0.00000
432 0.0096 0.00000
433 0.0892 0.00000
434 -0.0246 0.00000
435 0.0006 0.00000
436 -0.1193 0.00000
437 -0.0938 0.00000
438 0.0238 0.00000
439 -0.0092 0.00000
440 -0.0413 0.00000
441 -0.0473 0.00000
442 -0.0227 0.00000
443 -0.0444 0.00000
444 -0.0394 0.00000
445 -0.0567 0.00000
446 -0.0293 0.00000
447 0.0425 0.00000
448 0.0554 0.00000
449 0.0129 0.00000
450 -0.0304 0.00000
451 -0.0700 0.00000
452 0.1356 0.00000
453 0.0119 0.00000
454 -0.0096 0.00000
455 -0.1282 0.00000
456 0.0527 0.00000
457 0.0032 0.00000
458 0.0262 0.00000
459 -0.0229 0.00000
460 -0.0404 0.00000
461 0.0684 0.00000
462 -0.0017 0.00000
463 -0.0842 0.00000
464 0.0471 0.00000
465 -0.0648 0.00000
466 0.0104 0.00000
467 0.0108 0.00000
468 -0.0057 0.00000
469 -0.0062 0.00000
470 -0.0140 0.00000
471 0.0481 0.00000
472 -0.0596 0.00000
473 -0.0246 0.00000
474 -0.4301 0.00000
475 -0.0201 0.00000
476 -0.0611 0.00000
477 -0.0583 0.00000
478 -0.0571 0.00000
479 -0.2119 0.00000
480 -0.0949 0.00000
481 -0.0382 0.00000
482 0.0380 0.00000
483 0.0239 0.00000
484 -0.0907 0.00000
485 -0.2138 0.00000
486 -0.0259 0.00000
487 -0.2830 0.00000
488 0.0387 0.00000
489 0.0524 0.00000
490 -0.0106 0.00000
491 0.0075 0.00000
492 -0.0679 0.00000
493 0.0299 0.00000
494 -0.0351 0.00000
495 0.0092 0.00000
496 -0.0177 0.00000
497 0.0125 0.00000
498 -0.0045 0.00000
499 -0.0120 0.00000
500 0.0047 0.00000
501 -0.0051 0.00000
502 0.0284 0.00000
503 -0.0104 0.00000
504 -0.0109 0.00000
505 -0.0824 0.00000
506 -0.0233 0.00000
507 -0.0117 0.00000
508 0.0344 0.00000
509 -0.0507 0.00000
510 0.0741 0.00000
511 0.0275 0.00000
512 -0.0475 0.00000
513 -0.0106 0.00000
514 0.0789 0.00000
515 0.0031 0.00000
516 0.0242 0.00000
517 -0.0625 0.00000
518 0.0010 0.00000
519 0.0048 0.00000
520 0.0323 0.00000
521 -0.0183 0.00000
522 0.0427 0.00000
523 0.0260 0.00000
524 0.0542 0.00000
525 0.0140 0.00000
526 0.0858 0.00000
527 0.1733 0.00000
528 0.0478 0.00000
529 0.0444 0.00000
530 0.0130 0.00000
531 0.0493 0.00000
532 -0.0318 0.00000
533 -0.0075 0.00000
534 0.0163 0.00000
535 0.0414 0.00000
536 0.0130 0.00000
537 -0.1765 0.00000
538 0.0309 0.00000
539 0.0055 0.00000
540 0.0853 0.00000
541 0.0434 0.00000
542 -0.0017 0.00000
543 0.0817 0.00000
544 0.0650 0.00000
545 0.0094 0.00000
546 0.1227 0.00000
547 0.0187 0.00000
548 0.0012 0.00000
549 -0.0008 0.00000
550 -0.0036 0.00000
551 0.0682 0.00000
552 0.0530 0.00000
553 0.1139 0.00000
554 0.0287 0.00000
555 0.0379 0.00000
556 -0.0403 0.00000
557 0.0361 0.00000
558 0.0437 0.00000
559 0.0414 0.00000
560 -0.0362 0.00000
561 0.0385 0.00000
562 0.0432 0.00000
563 0.1932 0.00000
564 -0.0456 0.00000
565 -0.0568 0.00000
566 0.0359 0.00000
567 -0.1181 0.00000
568 -0.0139 0.00000
569 0.0164 0.00000
570 0.0140 0.00000
571 -0.0006 0.00000
572 0.0523 0.00000
573 0.0578 0.00000
574 0.0263 0.00000
575 0.0362 0.00000
576 -0.1094 0.00000
577 -0.0518 0.00000
578 0.0447 0.00000
579 -0.1660 0.00000
580 0.0120 0.00000
581 -0.0152 0.00000
582 -0.0086 0.00000
583 -0.0393 0.00000
584 -0.1610 0.00000
585 -0.0834 0.00000
586 -0.0138 0.00000
587 0.1388 0.00000
588 0.0414 0.00000
589 -0.0386 0.00000
590 0.0132 0.00000
591 0.0123 0.00000
592 -0.0074 0.00000
593 -0.0146 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0177 0.00000
597 -0.0152 0.00000
598 0.0166 0.00000
599 0.0213 0.00000
600 0.0685 0.00000
601 0.0947 0.00000
602 0.0398 0.00000
603 0.0656 0.00000
604 0.0387 0.00000
605 0.0566 0.00000
606 -0.0266 0.00000
607 -0.0295 0.00000
608 0.0111 0.00000
609 -0.0195 0.00000
610 0.0981 0.00000
611 -0.1067 0.00000
612 0.0436 0.00000
613 -0.0325 0.00000
614 0.0165 0.00000
615 0.0524 0.00000
616 -0.0551 0.00000
617 -0.0039 0.00000
618 0.0132 0.00000
619 0.0654 0.00000
620 0.0965 0.00000
621 0.0812 0.00000
622 -0.0379 0.00000
623 -0.0145 0.00000
624 -0.0027 0.00000
625 -0.0002 0.00000
626 0.0247 0.00000
627 -0.0096 0.00000
628 0.0493 0.00000
629 0.0514 0.00000
630 0.0882 0.00000
631 0.3338 0.00000
632 0.0441 0.00000
633 -0.0142 0.00000
634 0.0499 0.00000
635 -0.0078 0.00000
636 0.0416 0.00000
637 -0.0338 0.00000
638 -0.0046 0.00000
639 0.1166 0.00000
640 0.0124 0.00000
641 0.0398 0.00000
642 -0.0123 0.00000
643 0.0220 0.00000
644 0.0299 0.00000
645 0.0288 0.00000
646 -0.0004 0.00000
647 0.1170 0.00000
648 0.0258 0.00000
649 -0.0197 0.00000
650 -0.0088 0.00000
651 0.1434 0.00000
652 0.0265 0.00000
653 0.0384 0.00000
654 0.1530 0.00000
655 -0.0193 0.00000
656 0.0590 0.00000
657 0.0390 0.00000
658 -0.0064 0.00000
659 -0.0261 0.00000
660 -0.0294 0.00000
661 0.0032 0.00000
662 0.1029 0.00000
663 0.0747 0.00000
664 0.0970 0.00000
665 0.0961 0.00000
666 0.0000 0.00000
667 0.0163 0.00000
668 0.0374 0.00000
669 0.0085 0.00000
670 -0.0289 0.00000
671 -0.0088 0.00000
672 0.0129 0.00000
673 0.0187 0.00000
674 0.0556 0.00000
675 0.0229 0.00000
676 0.0396 0.00000
677 0.0031 0.00000
678 0.0094 0.00000
679 -0.0139 0.00000
680 0.0485 0.00000
681 -0.0041 0.00000
682 -0.0567 0.00000
683 -0.0077 0.00000
684 0.0197 0.00000
685 0.0099 0.00000
686 0.0231 0.00000
687 0.0052 0.00000
688 -0.0148 0.00000
689 -0.0494 0.00000
690 0.0777 0.00000
691 0.0282 0.00000
692 0.0197 0.00000
693 0.0613 0.00000
694 0.0782 0.00000
695 -0.0116 0.00000
696 0.1496 0.00000
697 -0.0383 0.00000
698 -0.0144 0.00000
699 0.0266 0.00000
700 0.0364 0.00000
701 0.0225 0.00000
702 0.0303 0.00000
703 -0.0031 0.00000
704 0.0510 0.00000
705 -0.0127 0.00000
706 -0.0139 0.00000
707 -0.0091 0.00000
708 0.0033 0.00000
709 -0.0087 0.00000
710 -0.0517 0.00000
711 -0.0174 0.00000
712 0.0525 0.00000
713 -0.0238 0.00000
714 -0.0101 0.00000
715 0.0200 0.00000
716 -0.0422 0.00000
717 0.0673 0.00000
718 0.0272 0.00000
719 -0.0213 0.00000
720 -0.0093 0.00000
721 -0.0349 0.00000
722 0.0193 0.00000
723 0.0220 0.00000
724 0.0158 0.00000
725 0.0042 0.00000
726 -0.0819 0.00000
727 0.0360 0.00000
728 -0.0120 0.00000
729 0.0027 0.00000
730 0.0465 0.00000
731 0.0156 0.00000
732 -0.0234 0.00000
733 0.1041 0.00000
734 0.0181 0.00000
735 -0.0430 0.00000
736 -0.0594 0.00000
737 0.0241 0.00000
738 0.0320 0.00000
739 -0.0099 0.00000
740 0.0147 0.00000
741 0.0008 0.00000
742 0.0195 0.00000
743 0.0160 0.00000
744 0.0581 0.00000
745 -0.0068 0.00000
746 -0.0119 0.00000
747 0.0344 0.00000
748 0.0063 0.00000
749 0.0177 0.00000
750 -0.0191 0.00000
751 -0.0012 0.00000
752 -0.0603 0.00000
753 0.0545 0.00000
754 -0.0031 0.00000
755 0.0437 0.00000
756 -0.0168 0.00000
757 -0.1496 0.00000
758 -0.0080 0.00000
759 0.0305 0.00000
760 -0.0315 0.00000
761 -0.0159 0.00000
762 0.0388 0.00000
763 0.0134 0.00000
764 0.0463 0.00000
765 0.0013 0.00000
766 -0.0192 0.00000
767 0.0017 0.00000
768 -0.0192 0.00000
769 -0.0196 0.00000
770 0.0135 0.00000
771 0.0183 0.00000
772 -0.0150 0.00000
773 0.0158 0.00000
774 0.0597 0.00000
775 0.0273 0.00000
776 -0.0147 0.00000
777 -0.0658 0.00000
778 -0.0006 0.00000
779 -0.0294 0.00000
780 -0.0124 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0191 0.00000
5 0.2107 0.00000
6 0.2333 0.00000
7 0.0089 0.00000
8 0.0779 0.00000
9 0.2424 0.00000
10 0.0618 0.00000
11 -0.0179 0.00000
12 -0.0330 0.00000
13 -0.0478 0.00000
14 -0.0441 0.00000
15 -0.3782 0.00000
16 0.0010 0.00000
17 -0.0328 0.00000
18 0.0723 0.00000
19 -0.0372 0.00000
20 -0.0353 0.00000
21 -0.0278 0.00000
22 -0.1558 0.00000
23 0.0729 0.00000
24 -0.1206 0.00000
25 -0.5590 0.00000
26 0.0098 0.00000
27 0.2547 0.00000
28 -0.6331 0.00000
29 -0.0125 0.00000
30 -0.0914 0.00000
31 -0.6356 0.00000
32 -1.1402 0.00000
33 0.1471 0.00000
34 0.2948 0.00000
35 0.1082 0.00000
36 -0.0661 0.00000
37 -0.7107 0.00000
38 0.0113 0.00000
39 -0.1048 0.00000
40 0.2715 0.00000
41 -0.0452 0.00000
42 -0.1196 0.00000
43 0.3952 0.00000
44 -0.1684 0.00000
45 -0.0877 0.00000
46 -0.3711 0.00000
47 -0.0302 0.00000
48 -0.1493 0.00000
49 0.0241 0.00000
50 0.0613 0.00000
51 0.0213 0.00000
52 -0.0554 0.00000
53 0.0326 0.00000
54 0.0077 0.00000
55 -0.0679 0.00000
56 -0.0065 0.00000
57 0.0282 0.00000
58 -0.0636 0.00000
59 -0.1775 0.00000
60 -0.0126 0.00000
61 -0.4413 0.00000
62 -0.1760 0.00000
63 -0.1707 0.00000
64 -0.0015 0.00000
65 0.0991 0.00000
66 -0.0513 0.00000
67 -0.1202 0.00000
68 0.0657 0.00000
69 0.0291 0.00000
70 0.0339 0.00000
71 0.3014 0.00000
72 0.0744 0.00000
73 0.0486 0.00000
74 -0.0041 0.00000
75 -0.0356 0.00000
76 0.0215 0.00000
77 -0.0116 0.00000
78 -0.0587 0.00000
79 -0.0375 0.00000
80 0.0211 0.00000
81 -0.1116 0.00000
82 0.1484 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0808 0.00000
90 -0.0905 0.00000
91 -0.0383 0.00000
92 -0.1455 0.00000
93 0.0613 0.00000
94 0.0105 0.00000
95 0.0756 0.00000
96 0.0170 0.00000
97 0.0126 0.00000
98 -0.2503 0.00000
99 -0.1395 0.00000
100 -0.0556 0.00000
101 -0.4391 0.00000
102 0.7340 0.00000
103 -0.2434 0.00000
104 0.2549 0.00000
105 0.1151 0.00000
106 0.0131 0.00000
107 0.0853 0.00000
108 0.0679 0.00000
109 0.0788 0.00000
110 0.4866 0.00000
111 0.0338 0.00000
112 0.1775 0.00000
113 0.1166 0.00000
114 -0.2161 0.00000
115 -0.0767 0.00000
116 -0.0693 0.00000
117 -0.1725 0.00000
118 0.0596 0.00000
119 0.0633 0.00000
120 0.1853 0.00000
121 0.3933 0.00000
122 0.1148 0.00000
123 0.0564 0.00000
124 0.2437 0.00000
125 0.0118 0.00000
126 -0.3932 0.00000
127 -0.0345 0.00000
128 -0.0418 0.00000
129 0.0392 0.00000
130 -0.1039 0.00000
131 0.2043 0.00000
132 -0.0384 0.00000
133 0.0727 0.00000
134 -0.2014 0.00000
135 0.0667 0.00000
136 -0.1321 0.00000
137 -0.0404 0.00000
138 -0.3850 0.00000
139 0.0842 0.00000
140 0.0677 0.00000
141 -0.1043 0.00000
142 -0.0110 0.00000
143 0.0727 0.00000
144 0.0737 0.00000
145 0.0534 0.00000
146 0.0045 0.00000
147 -0.0141 0.00000
148 0.1329 0.00000
149 0.1183 0.00000
150 0.1984 0.00000
151 0.0891 0.00000
152 -0.0718 0.00000
153 0.0221 0.00000
154 0.0532 0.00000
155 0.1258 0.00000
156 0.0567 0.00000
157 -0.1958 0.00000
158 -0.0949 0.00000
159 -0.0231 0.00000
160 -0.0609 0.00000
161 0.0703 0.00000
162 0.0448 0.00000
163 -0.1129 0.00000
164 -1.0360 0.00000
165 0.0469 0.00000
166 -0.0087 0.00000
167 -0.1752 0.00000
168 -0.0281 0.00000
169 0.0875 0.00000
170 0.0354 0.00000
171 -0.0564 0.00000
172 -0.1272 0.00000
173 -0.0117 0.00000
174 -0.0812 0.00000
175 0.0553 0.00000
176 0.0687 0.00000
177 -0.2132 0.00000
178 -0.1861 0.00000
179 -0.1064 0.00000
180 0.0467 0.00000
181 -0.0122 0.00000
182 -0.0350 0.00000
183 -0.0115 0.00000
184 -0.0022 0.00000
185 -0.0471 0.00000
186 0.0420 0.00000
187 0.0113 0.00000
188 -0.1332 0.00000
189 0.0062 0.00000
190 -0.0026 0.00000
191 0.0851 0.00000
192 0.0188 0.00000
193 -0.0136 0.00000
194 0.2089 0.00000
195 0.0480 0.00000
196 -0.0807 0.00000
197 0.2345 0.00000
198 0.0099 0.00000
199 -0.0137 0.00000
200 -0.0026 0.00000
201 -0.0044 0.00000
202 -0.0502 0.00000
203 0.0636 0.00000
204 -0.0345 0.00000
205 0.0385 0.00000
206 0.0831 0.00000
207 0.0667 0.00000
208 0.0530 0.00000
209 0.0220 0.00000
210 -0.2446 0.00000
211 -0.0146 0.00000
212 -0.0538 0.00000
213 0.0699 0.00000
214 0.0598 0.00000
215 0.0042 0.00000
216 0.0631 0.00000
217 -0.0560 0.00000
218 0.2777 0.00000
219 -0.5865 0.00000
220 -0.0357 0.00000
221 -0.3327 0.00000
222 0.0093 0.00000
223 -0.0356 0.00000
224 -0.1075 0.00000
225 0.0284 0.00000
226 -0.0287 0.00000
227 -0.0350 0.00000
228 0.0510 0.00000
229 0.1395 0.00000
230 0.0132 0.00000
231 -0.0895 0.00000
232 -0.0580 0.00000
233 -0.0456 0.00000
234 0.0007 0.00000
235 -0.0440 0.00000
236 0.0088 0.00000
237 -0.0254 0.00000
238 -0.0440 0.00000
239 -0.0209 0.00000
240 -0.0476 0.00000
241 -0.0059 0.00000
242 -0.0243 0.00000
243 -0.0343 0.00000
244 -0.0384 0.00000
245 -0.0867 0.00000
246 -0.0108 0.00000
247 0.0531 0.00000
248 0.0459 0.00000
249 -0.0006 0.00000
250 0.0642 0.00000
251 -0.0263 0.00000
252 0.0210 0.00000
253 -0.0203 0.00000
254 -0.0543 0.00000
255 0.0385 0.00000
256 0.3349 0.00000
257 0.0402 0.00000
258 0.3015 0.00000
259 0.0156 0.00000
260 0.0135 0.00000
261 0.0545 0.00000
262 0.0169 0.00000
263 -0.0965 0.00000
264 0.0128 0.00000
265 0.0440 0.00000
266 -0.0047 0.00000
267 0.0406 0.00000
268 -0.0033 0.00000
269 -0.0375 0.00000
270 -0.0476 0.00000
271 0.0272 0.00000
272 -0.1381 0.00000
273 0.0619 0.00000
274 -0.0862 0.00000
275 -0.0094 0.00000
276 -0.1486 0.00000
277 -0.0759 0.00000
278 0.0520 0.00000
279 -0.0403 0.00000
280 0.1087 0.00000
281 -0.0254 0.00000
282 -0.0272 0.00000
283 0.0023 0.00000
284 -0.0226 0.00000
285 0.0020 0.00000
286 0.0894 0.00000
287 0.1052 0.00000
288 0.0542 0.00000
289 -0.0692 0.00000
290 -0.0454 0.00000
291 0.0216 0.00000
292 0.0537 0.00000
293 0.0347 0.00000
294 -0.0713 0.00000
295 -0.0618 0.00000
296 0.0067 0.00000
297 -0.0732 0.00000
298 0.0635 0.00000
299 0.0085 0.00000
300 -0.0037 0.00000
301 -0.0326 0.00000
302 -0.0327 0.00000
303 0.0131 0.00000
304 -0.0222 0.00000
305 0.0096 0.00000
306 -0.0527 0.00000
307 0.0402 0.00000
308 0.0219 0.00000
309 0.0148 0.00000
310 -0.0748 0.00000
311 -0.2029 0.00000
312 -0.0698 0.00000
313 0.0275 0.00000
314 -0.0091 0.00000
315 0.0188 0.00000
316 -0.1229 0.00000
317 0.0734 0.00000
318 -0.0800 0.00000
319 -0.0129 0.00000
320 -0.0437 0.00000
321 0.0375 0.00000
322 -0.1221 0.00000
323 -0.0076 0.00000
324 0.0787 0.00000
325 -0.0115 0.00000
326 0.0151 0.00000
327 -0.0807 0.00000
328 -0.1147 0.00000
329 0.0563 0.00000
330 -0.0196 0.00000
331 -0.0173 0.00000
332 0.0267 0.00000
333 -0.0964 0.00000
334 0.0181 0.00000
335 -0.0736 0.00000
336 -0.0495 0.00000
337 0.0061 0.00000
338 0.0039 0.00000
339 -0.1642 0.00000
340 0.0380 0.00000
341 -0.0282 0.00000
342 0.0005 0.00000
343 0.0081 0.00000
344 -0.0078 0.00000
345 0.0223 0.00000
346 -0.0847 0.00000
347 0.0206 0.00000
348 0.0029 0.00000
349 0.0706 0.00000
350 0.0068 0.00000
351 0.0199 0.00000
352 -0.0668 0.00000
353 0.0933 0.00000
354 0.0004 0.00000
355 0.0569 0.00000
356 0.0095 0.00000
357 0.0108 0.00000
358 0.0216 0.00000
359 -0.0117 0.00000
360 -0.0427 0.00000
361 0.0010 0.00000
362 0.0496 0.00000
363 0.0031 0.00000
364 0.0527 0.00000
365 0.0165 0.00000
366 0.0223 0.00000
367 0.0428 0.00000
368 -0.0410 0.00000
369 -0.1100 0.00000
370 0.0454 0.00000
371 -0.1276 0.00000
372 -0.2883 0.00000
373 0.0184 0.00000
374 0.0627 0.00000
375 0.1744 0.00000
376 -0.0369 0.00000
377 -0.0329 0.00000
378 0.0096 0.00000
379 0.0918 0.00000
380 0.0412 0.00000
381 -0.0306 0.00000
382 -0.0118 0.00000
383 -0.0122 0.00000
384 0.0148 0.00000
385 0.1321 0.00000
386 0.0340 0.00000
387 0.0418 0.00000
388 0.0304 0.00000
389 -0.0447 0.00000
390 -0.0392 0.00000
391 -0.0896 0.00000
392 -0.0258 0.00000
393 -0.0444 0.00000
394 0.0175 0.00000
395 0.0384 0.00000
396 -0.0164 0.00000
397 -0.0278 0.00000
398 -0.0488 0.00000
399 -0.0078 0.00000
400 0.0176 0.00000
401 -0.0152 0.00000
402 0.0479 0.00000
403 -0.0137 0.00000
404 0.0043 0.00000
405 -0.0759 0.00000
406 0.0575 0.00000
407 0.0098 0.00000
408 0.0224 0.00000
409 -0.0068 0.00000
410 0.0120 0.00000
411 0.0588 0.00000
412 0.0857 0.00000
413 0.0763 0.00000
414 0.0015 0.00000
415 -0.0599 0.00000
416 0.0034 0.00000
417 0.0063 0.00000
418 -0.0778 0.00000
419 0.0099 0.00000
420 -0.0263 0.00000
421 0.0213 0.00000
422 -0.0072 0.00000
423 -0.0148 0.00000
424 0.0240 0.00000
425 -0.0433 0.00000
426 -0.0335 0.00000
427 -0.0494 0.00000
428 0.0130 0.00000
429 -0.0340 0.00000
430 0.0242 0.00000
431 0.0903 0.00000
432 0.0107 0.00000
433 -0.0078 0.00000
434 -0.0411 0.00000
435 -0.0482 0.00000
436 0.0334 0.00000
437 -0.1230 0.00000
438 -0.0316 0.00000
439 0.0523 0.00000
440 -0.0268 0.00000
441 -0.0236 0.00000
442 -0.0346 0.00000
443 -0.0286 0.00000
444 -0.0224 0.00000
445 0.0181 0.00000
446 -0.0520 0.00000
447 0.0170 0.00000
448 0.0769 0.00000
449 -0.0939 0.00000
450 0.0082 0.00000
451 -0.1095 0.00000
452 0.0600 0.00000
453 -0.0000 0.00000
454 -0.1116 0.00000
455 0.0774 0.00000
456 -0.0665 0.00000
457 0.0095 0.00000
458 0.0295 0.00000
459 0.0124 0.00000
460 0.0411 0.00000
461 0.0115 0.00000
462 0.0422 0.00000
463 -0.1160 0.00000
464 0.0241 0.00000
465 0.0283 0.00000
466 -0.0223 0.00000
467 -0.1615 0.00000
468 -0.0221 0.00000
469 0.0178 0.00000
470 -0.0789 0.00000
471 -0.0371 0.00000
472 -0.0023 0.00000
473 -0.0341 0.00000
474 0.0152 0.00000
475 -0.1332 0.00000
476 -0.0283 0.00000
477 -0.1139 0.00000
478 -0.0502 0.00000
479 -0.0016 0.00000
480 0.0515 0.00000
481 -0.0653 0.00000
482 -0.0456 0.00000
483 -0.0033 0.00000
484 -0.0438 0.00000
485 0.0197 0.00000
486 -0.4812 0.00000
487 -0.1129 0.00000
488 -0.0673 0.00000
489 0.0224 0.00000
490 0.0164 0.00000
491 -0.0319 0.00000
492 -0.0290 0.00000
493 -0.0248 0.00000
494 -0.0620 0.00000
495 0.0414 0.00000
496 0.0090 0.00000
497 -0.0054 0.00000
498 0.0059 0.00000
499 -0.0430 0.00000
500 0.0407 0.00000
501 0.0065 0.00000
502 -0.0350 0.00000
503 -0.0578 0.00000
504 -0.0833 0.00000
505 0.0116 0.00000
506 -0.0222 0.00000
507 0.0106 0.00000
508 0.0216 0.00000
509 -0.0412 0.00000
510 -0.0427 0.00000
511 -0.0775 0.00000
512 0.0179 0.00000
513 0.0688 0.00000
514 -0.0083 0.00000
515 0.0703 0.00000
516 0.0243 0.00000
517 -0.0442 0.00000
518 -0.0042 0.00000
519 -0.0024 0.00000
520 -0.0002 0.00000
521 -0.0061 0.00000
522 0.0465 0.00000
523 0.0188 0.00000
524 0.0092 0.00000
525 0.0306 0.00000
526 0.0557 0.00000
527 0.1546 0.00000
528 0.0593 0.00000
529 0.2199 0.00000
530 0.0291 0.00000
531 -0.0126 0.00000
532 -0.0015 0.00000
533 -0.0241 0.00000
534 -0.1706 0.00000
535 0.0221 0.00000
536 -0.0885 0.00000
537 0.1284 0.00000
538 0.0740 0.00000
539 0.0113 0.00000
540 0.0258 0.00000
541 -0.0125 0.00000
542 0.0449 0.00000
543 0.1600 0.00000
544 0.0946 0.00000
545 0.0527 0.00000
546 -0.0219 0.00000
547 0.0681 0.00000
548 -0.0203 0.00000
549 -0.0197 0.00000
550 0.0704 0.00000
551 0.0575 0.00000
552 0.0587 0.00000
553 0.0191 0.00000
554 -0.0065 0.00000
555 0.0506 0.00000
556 -0.0261 0.00000
557 -0.0123 0.00000
558 0.0361 0.00000
559 0.0152 0.00000
560 0.0756 0.00000
561 0.0934 0.00000
562 0.0228 0.00000
563 0.0212 0.00000
564 0.1378 0.00000
565 -0.0288 0.00000
566 -0.1045 0.00000
567 -0.0513 0.00000
568 0.0464 0.00000
569 0.0039 0.00000
570 0.0199 0.00000
571 0.0048 0.00000
572 0.0528 0.00000
573 0.0192 0.00000
574 -0.0938 0.00000
575 0.0580 0.00000
576 -0.0486 0.00000
577 0.0452 0.00000
578 0.0092 0.00000
579 -0.0252 0.00000
580 -0.1626 0.00000
581 -0.0381 0.00000
582 -0.0647 0.00000
583 0.0381 0.00000
584 -0.2686 0.00000
585 0.0111 0.00000
586 0.0167 0.00000
587 0.1205 0.00000
588 0.0491 0.00000
589 -0.0375 0.00000
590 0.0102 0.00000
591 0.0121 0.00000
592 -0.0060 0.00000
593 -0.0150 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0178 0.00000
597 -0.0151 0.00000
598 -0.0182 0.00000
599 0.0839 0.00000
600 0.0279 0.00000
601 0.1295 0.00000
602 -0.0300 0.00000
603 0.0834 0.00000
604 0.0160 0.00000
605 -0.0156 0.00000
606 0.0864 0.00000
607 0.0387 0.00000
608 -0.0497 0.00000
609 -0.0124 0.00000
610 0.0113 0.00000
611 -0.0145 0.00000
612 -0.0070 0.00000
613 0.0061 0.00000
614 -0.0132 0.00000
615 -0.0599 0.00000
616 0.1660 0.00000
617 0.0247 0.00000
618 -0.0204 0.00000
619 0.0189 0.00000
620 0.0238 0.00000
621 -0.0471 0.00000
622 0.0050 0.00000
623 0.0356 0.00000
624 0.0705 0.00000
625 -0.0376 0.00000
626 0.0130 0.00000
627 0.0179 0.00000
628 0.0044 0.00000
629 0.0347 0.00000
630 0.4131 0.00000
631 -0.0124 0.00000
632 0.1100 0.00000
633 0.0311 0.00000
634 0.0005 0.00000
635 0.0295 0.00000
636 0.0397 0.00000
637 0.0586 0.00000
638 0.0181 0.00000
639 0.0536 0.00000
640 0.1323 0.00000
641 0.0256 0.00000
642 -0.0532 0.00000
643 0.1313 0.00000
644 -0.0040 0.00000
645 0.0172 0.00000
646 0.0857 0.00000
647 -0.0160 0.00000
648 -0.0181 0.00000
649 -0.0038 0.00000
650 0.0485 0.00000
651 0.0318 0.00000
652 0.0020 0.00000
653 0.0451 0.00000
654 0.0165 0.00000
655 0.0325 0.00000
656 -0.0290 0.00000
657 0.0033 0.00000
658 0.0055 0.00000
659 0.0023 0.00000
660 0.0365 0.00000
661 0.1442 0.00000
662 0.0038 0.00000
663 0.1454 0.00000
664 0.0043 0.00000
665 -0.0455 0.00000
666 0.0173 0.00000
667 0.0321 0.00000
668 0.0499 0.00000
669 0.0318 0.00000
670 -0.0076 0.00000
671 0.0334 0.00000
672 -0.0024 0.00000
673 0.0130 0.00000
674 0.0292 0.00000
675 0.0150 0.00000
676 0.0462 0.00000
677 -0.0246 0.00000
678 0.0346 0.00000
679 0.0304 0.00000
680 0.0129 0.00000
681 0.0793 0.00000
682 0.0625 0.00000
683 0.0049 0.00000
684 0.0927 0.00000
685 0.0199 0.00000
686 -0.0080 0.00000
687 0.0108 0.00000
688 0.0145 0.00000
689 0.0244 0.00000
690 -0.0317 0.00000
691 0.0366 0.00000
692 0.0447 0.00000
693 0.0168 0.00000
694 -0.0064 0.00000
695 0.0007 0.00000
696 0.0480 0.00000
697 0.0461 0.00000
698 0.0102 0.00000
699 -0.0191 0.00000
700 0.0421 0.00000
701 -0.0264 0.00000
702 -0.0003 0.00000
703 0.0126 0.00000
704 0.0189 0.00000
705 -0.0334 0.00000
706 -0.0304 0.00000
707 0.0051 0.00000
708 0.0201 0.00000
709 0.0411 0.00000
710 -0.0154 0.00000
711 0.0335 0.00000
712 0.0044 0.00000
713 -0.0040 0.00000
714 -0.0122 0.00000
715 -0.0133 0.00000
716 -0.0673 0.00000
717 0.0273 0.00000
718 -0.0086 0.00000
719 -0.0460 0.00000
720 -0.0205 0.00000
721 0.0068 0.00000
722 0.0539 0.00000
723 0.0357 0.00000
724 -0.0264 0.00000
725 0.0438 0.00000
726 0.0322 0.00000
727 -0.0002 0.00000
728 0.0133 0.00000
729 -0.0033 0.00000
730 -0.0258 0.00000
731 -0.0088 0.00000
732 0.0309 0.00000
733 0.0098 0.00000
734 0.0030 0.00000
735 0.0115 0.00000
736 -0.0249 0.00000
737 0.0028 0.00000
738 0.0376 0.00000
739 -0.0308 0.00000
740 0.0674 0.00000
741 -0.0054 0.00000
742 0.0446 0.00000
743 0.1099 0.00000
744 0.0151 0.00000
745 -0.0146 0.00000
746 -0.0292 0.00000
747 0.0217 0.00000
748 -0.0093 0.00000
749 -0.0136 0.00000
750 -0.0135 0.00000
751 0.0044 0.00000
752 0.0877 0.00000
753 0.0361 0.00000
754 -0.0074 0.00000
755 -0.0371 0.00000
756 -0.0371 0.00000
757 -0.0161 0.00000
758 0.0047 0.00000
759 0.0061 0.00000
760 -0.0629 0.00000
761 -0.0254 0.00000
762 0.0329 0.00000
763 -0.0027 0.00000
764 0.0108 0.00000
765 0.0170 0.00000
766 -0.0476 0.00000
767 0.0064 0.00000
768 -0.0406 0.00000
769 0.0091 0.00000
770 0.0047 0.00000
771 0.0103 0.00000
772 -0.0245 0.00000
773 -0.0047 0.00000
774 -0.0465 0.00000
775 0.0195 0.00000
776 -0.0207 0.00000
777 -0.0497 0.00000
778 -0.0056 0.00000
779 0.0104 0.00000
780 -0.0194 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0107 0.00000
5 0.2023 0.00000
6 0.2328 0.00000
7 0.0093 0.00000
8 0.0778 0.00000
9 0.2432 0.00000
10 0.0591 0.00000
11 -0.0159 0.00000
12 -0.0322 0.00000
13 -0.0478 0.00000
14 -0.0441 0.00000
15 -0.3825 0.00000
16 -0.0113 0.00000
17 0.0032 0.00000
18 0.0464 0.00000
19 -0.0323 0.00000
20 -0.0402 0.00000
21 -0.0275 0.00000
22 -0.1918 0.00000
23 0.1271 0.00000
24 0.0235 0.00000
25 -0.6466 0.00000
26 0.1062 0.00000
27 0.1217 0.00000
28 -0.8825 0.00000
29 -0.0084 0.00000
30 -0.1194 0.00000
31 -0.5005 0.00000
32 -0.9477 0.00000
33 0.1336 0.00000
34 0.2089 0.00000
35 0.0861 0.00000
36 -0.0856 0.00000
37 -0.4891 0.00000
38 0.0192 0.00000
39 0.2364 0.00000
40 -0.3320 0.00000
41 -0.0402 0.00000
42 -0.1591 0.00000
43 0.4012 0.00000
44 -0.1214 0.00000
45 -0.0943 0.00000
46 0.0367 0.00000
47 -0.3308 0.00000
48 -0.2474 0.00000
49 0.0032 0.00000
50 0.0446 0.00000
51 0.0757 0.00000
52 -0.0246 0.00000
53 0.0688 0.00000
54 0.0240 0.00000
55 -0.0074 0.00000
56 -0.1042 0.00000
57 -0.1148 0.00000
58 0.0301 0.00000
59 -0.1467 0.00000
60 0.0452 0.00000
61 -0.3118 0.00000
62 -0.3277 0.00000
63 -0.2003 0.00000
64 -0.0135 0.00000
65 0.1025 0.00000
66 -0.0584 0.00000
67 -0.1392 0.00000
68 0.0914 0.00000
69 0.0450 0.00000
70 0.0463 0.00000
71 0.2977 0.00000
72 0.0740 0.00000
73 0.0453 0.00000
74 -0.0014 0.00000
75 -0.0215 0.00000
76 0.0069 0.00000
77 -0.0087 0.00000
78 -0.0581 0.00000
79 -0.0401 0.00000
80 0.0213 0.00000
81 -0.1115 0.00000
82 0.1487 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0780 0.00000
90 -0.0875 0.00000
91 -0.0297 0.00000
92 -0.1513 0.00000
93 0.0547 0.00000
94 0.0013 0.00000
95 0.0642 0.00000
96 0.0606 0.00000
97 0.0034 0.00000
98 -0.1688 0.00000
99 -0.3170 0.00000
100 -0.0304 0.00000
101 -0.3532 0.00000
102 0.7364 0.00000
103 -0.1623 0.00000
104 0.1598 0.00000
105 0.0486 0.00000
106 0.0365 0.00000
107 0.1408 0.00000
108 0.0573 0.00000
109 0.2064 0.00000
110 0.1051 0.00000
111 0.3215 0.00000
112 0.0758 0.00000
113 0.1859 0.00000
114 -0.1933 0.00000
115 -0.1082 0.00000
116 -0.0848 0.00000
117 -0.1701 0.00000
118 0.0714 0.00000
119 0.0543 0.00000
120 0.1422 0.00000
121 0.6895 0.00000
122 -0.1743 0.00000
123 0.3460 0.00000
124 0.0862 0.00000
125 -0.0935 0.00000
126 -0.3526 0.00000
127 -0.0316 0.00000
128 -0.1592 0.00000
129 0.0451 0.00000
130 0.0088 0.00000
131 0.1920 0.00000
132 -0.0240 0.00000
133 0.0131 0.00000
134 -0.1759 0.00000
135 0.0659 0.00000
136 -0.1381 0.00000
137 -0.0476 0.00000
138 -0.3744 0.00000
139 0.1072 0.00000
140 0.0473 0.00000
141 -0.1047 0.00000
142 -0.0084 0.00000
143 0.0696 0.00000
144 0.0749 0.00000
145 0.0567 0.00000
146 0.0004 0.00000
147 -0.0132 0.00000
148 0.1218 0.00000
149 0.1333 0.00000
150 0.1602 0.00000
151 0.0928 0.00000
152 -0.0336 0.00000
153 0.0226 0.00000
154 0.1252 0.00000
155 0.0911 0.00000
156 -0.0865 0.00000
157 -0.0489 0.00000
158 0.0311 0.00000
159 -0.2422 0.00000
160 -0.0930 0.00000
161 0.0279 0.00000
162 0.0514 0.00000
163 -0.0027 0.00000
164 -0.8336 0.00000
165 0.0109 0.00000
166 -0.0189 0.00000
167 -0.1848 0.00000
168 -0.0910 0.00000
169 -0.0203 0.00000
170 0.0311 0.00000
171 -0.3320 0.00000
172 0.0245 0.00000
173 0.1332 0.00000
174 -0.0237 0.00000
175 0.0732 0.00000
176 -0.3793 0.00000
177 0.0145 0.00000
178 0.0449 0.00000
179 0.0253 0.00000
180 -0.0675 0.00000
181 -0.0819 0.00000
182 -0.1526 0.00000
183 0.0597 0.00000
184 -0.0505 0.00000
185 -0.0355 0.00000
186 -0.0118 0.00000
187 -0.0080 0.00000
188 0.0372 0.00000
189 0.0296 0.00000
190 0.0640 0.00000
191 0.0367 0.00000
192 -0.0654 0.00000
193 0.0066 0.00000
194 0.0767 0.00000
195 0.0089 0.00000
196 0.1867 0.00000
197 0.1091 0.00000
198 0.0096 0.00000
199 -0.0385 0.00000
200 0.0171 0.00000
201 0.0318 0.00000
202 0.0209 0.00000
203 0.0375 0.00000
204 -0.0036 0.00000
205 -0.0440 0.00000
206 0.1352 0.00000
207 0.0139 0.00000
208 0.0215 0.00000
209 0.0481 0.00000
210 -0.2472 0.00000
211 -0.0567 0.00000
212 0.0668 0.00000
213 -0.0161 0.00000
214 0.0398 0.00000
215 0.0303 0.00000
216 -0.0010 0.00000
217 0.0455 0.00000
218 0.2032 0.00000
219 -0.0966 0.00000
220 -0.2446 0.00000
221 -0.3999 0.00000
222 -0.1767 0.00000
223 -0.1316 0.00000
224 0.0049 0.00000
225 0.0025 0.00000
226 -0.0167 0.00000
227 -0.0313 0.00000
228 0.0626 0.00000
229 0.1392 0.00000
230 0.0018 0.00000
231 -0.0894 0.00000
232 -0.0498 0.00000
233 -0.0539 0.00000
234 -0.0020 0.00000
235 -0.0561 0.00000
236 0.0123 0.00000
237 -0.0249 0.00000
238 -0.0318 0.00000
239 0.0020 0.00000
240 -0.0519 0.00000
241 -0.0082 0.00000
242 -0.1036 0.00000
243 -0.0389 0.00000
244 -0.0448 0.00000
245 0.0007 0.00000
246 0.0116 0.00000
247 0.0398 0.00000
248 0.0561 0.00000
249 -0.0335 0.00000
250 0.0971 0.00000
251 -0.0436 0.00000
252 -0.0030 0.00000
253 -0.1305 0.00000
254 -0.0385 0.00000
255 0.0895 0.00000
256 0.3373 0.00000
257 0.0345 0.00000
258 0.2821 0.00000
259 0.1170 0.00000
260 0.0230 0.00000
261 -0.0709 0.00000
262 0.0340 0.00000
263 0.0402 0.00000
264 0.0729 0.00000
265 0.0268 0.00000
266 -0.0687 0.00000
267 -0.0258 0.00000
268 -0.0005 0.00000
269 0.0385 0.00000
270 -0.0472 0.00000
271 -0.0982 0.00000
272 -0.0810 0.00000
273 -0.0226 0.00000
274 -0.0676 0.00000
275 0.0673 0.00000
276 -0.0487 0.00000
277 -0.0484 0.00000
278 -0.0093 0.00000
279 -0.0361 0.00000
280 -0.0117 0.00000
281 0.0244 0.00000
282 -0.0539 0.00000
283 0.0167 0.00000
284 0.1203 0.00000
285 -0.0156 0.00000
286 -0.0058 0.00000
287 -0.0033 0.00000
288 0.0079 0.00000
289 0.0947 0.00000
290 0.0223 0.00000
291 0.0156 0.00000
292 -0.0473 0.00000
293 0.0066 0.00000
294 -0.0364 0.00000
295 -0.0203 0.00000
296 -0.0132 0.00000
297 -0.0906 0.00000
298 0.0264 0.00000
299 -0.0656 0.00000
300 -0.0108 0.00000
301 0.0539 0.00000
302 -0.0059 0.00000
303 -0.0019 0.00000
304 0.0813 0.00000
305 0.0333 0.00000
306 -0.0693 0.00000
307 -0.0235 0.00000
308 -0.0864 0.00000
309 0.0257 0.00000
310 -0.0739 0.00000
311 -0.1016 0.00000
312 -0.0450 0.00000
313 -0.0391 0.00000
314 -0.0950 0.00000
315 0.0491 0.00000
316 -0.1017 0.00000
317 0.0079 0.00000
318 -0.0107 0.00000
319 0.1317 0.00000
320 -0.0496 0.00000
321 -0.0167 0.00000
322 -0.0923 0.00000
323 0.0996 0.00000
324 0.0109 0.00000
325 -0.0516 0.00000
326 -0.0045 0.00000
327 -0.0184 0.00000
328 -0.0532 0.00000
329 -0.0739 0.00000
330 -0.0198 0.00000
331 -0.0163 0.00000
332 0.0245 0.00000
333 -0.1188 0.00000
334 -0.0371 0.00000
335 0.0062 0.00000
336 -0.0037 0.00000
337 0.0151 0.00000
338 -0.0148 0.00000
339 -0.0104 0.00000
340 -0.0813 0.00000
341 -0.1407 0.00000
342 -0.0498 0.00000
343 0.0125 0.00000
344 -0.0005 0.00000
345 -0.0600 0.00000
346 0.0554 0.00000
347 0.0086 0.00000
348 0.0349 0.00000
349 0.0063 0.00000
350 -0.1083 0.00000
351 0.0630 0.00000
352 0.0313 0.00000
353 0.0069 0.00000
354 0.0611 0.00000
355 0.0270 0.00000
356 0.0198 0.00000
357 0.0702 0.00000
358 -0.0244 0.00000
359 0.0076 0.00000
360 0.0262 0.00000
361 0.0646 0.00000
362 0.0154 0.00000
363 0.0670 0.00000
364 -0.1028 0.00000
365 -0.0713 0.00000
366 -0.1096 0.00000
367 -0.0362 0.00000
368 0.0116 0.00000
369 0.0654 0.00000
370 0.0091 0.00000
371 -0.2827 0.00000
372 0.0130 0.00000
373 0.0013 0.00000
374 0.0858 0.00000
375 0.0848 0.00000
376 0.0431 0.00000
377 0.0722 0.00000
378 -0.0205 0.00000
379 0.0144 0.00000
380 -0.0067 0.00000
381 0.0308 0.00000
382 -0.0339 0.00000
383 0.0363 0.00000
384 0.2325 0.00000
385 -0.0887 0.00000
386 -0.0078 0.00000
387 0.0486 0.00000
388 -0.1007 0.00000
389 0.0386 0.00000
390 -0.0181 0.00000
391 0.0280 0.00000
392 -0.1739 0.00000
393 0.0767 0.00000
394 -0.0443 0.00000
395 0.0099 0.00000
396 -0.0048 0.00000
397 0.0265 0.00000
398 0.0161 0.00000
399 -0.0929 0.00000
400 -0.0532 0.00000
401 0.0229 0.00000
402 0.0210 0.00000
403 -0.0690 0.00000
404 0.0156 0.00000
405 -0.0387 0.00000
406 0.0614 0.00000
407 0.0147 0.00000
408 0.0933 0.00000
409 0.0404 0.00000
410 -0.0281 0.00000
411 0.0419 0.00000
412 0.0431 0.00000
413 0.0503 0.00000
414 -0.0243 0.00000
415 -0.0652 0.00000
416 -0.0951 0.00000
417 0.0043 0.00000
418 -0.0089 0.00000
419 -0.0190 0.00000
420 0.0253 0.00000
421 0.0740 0.00000
422 -0.1057 0.00000
423 0.0894 0.00000
424 -0.0294 0.00000
425 -0.0356 0.00000
426 -0.0061 0.00000
427 -0.0126 0.00000
428 0.0419 0.00000
429 -0.0121 0.00000
430 -0.0201 0.00000
431 0.1079 0.00000
432 0.0501 0.00000
433 -0.0202 0.00000
434 -0.0847 0.00000
435 -0.0155 0.00000
436 -0.0290 0.00000
437 -0.0415 0.00000
438 0.0100 0.00000
439 -0.0133 0.00000
440 -0.1246 0.00000
441 0.0531 0.00000
442 -0.0354 0.00000
443 -0.0096 0.00000
444 0.0615 0.00000
445 -0.0936 0.00000
446 -0.0076 0.00000
447 -0.0381 0.00000
448 0.0125 0.00000
449 0.0051 0.00000
450 0.0522 0.00000
451 0.0886 0.00000
452 -0.1989 0.00000
453 0.0087 0.00000
454 -0.0624 0.00000
455 0.0015 0.00000
456 -0.1089 0.00000
457 -0.0552 0.00000
458 0.0131 0.00000
459 0.1122 0.00000
460 -0.0213 0.00000
461 0.0000 0.00000
462 -0.0528 0.00000
463 0.0642 0.00000
464 -0.0033 0.00000
465 -0.0260 0.00000
466 0.0176 0.00000
467 0.0491 0.00000
468 0.0219 0.00000
469 0.0258 0.00000
470 0.0003 0.00000
471 -0.1074 0.00000
472 -0.1026 0.00000
473 -0.0301 0.00000
474 -0.1015 0.00000
475 0.0146 0.00000
476 0.0337 0.00000
477 0.0150 0.00000
478 -0.3622 0.00000
479 -0.0116 0.00000
480 -0.1747 0.00000
481 0.0671 0.00000
482 -0.5711 0.00000
483 0.0272 0.00000
484 -0.0504 0.00000
485 -0.1287 0.00000
486 0.0190 0.00000
487 -0.0176 0.00000
488 0.0378 0.00000
489 -0.0417 0.00000
490 -0.0475 0.00000
491 -0.0111 0.00000
492 0.0887 0.00000
493 -0.0225 0.00000
494 -0.0528 0.00000
495 0.0064 0.00000
496 0.0250 0.00000
497 -0.1010 0.00000
498 -0.0109 0.00000
499 0.0159 0.00000
500 0.0078 0.00000
501 -0.0196 0.00000
502 0.0040 0.00000
503 -0.0163 0.00000
504 0.0160 0.00000
505 -0.0326 0.00000
506 -0.0290 0.00000
507 -0.0201 0.00000
508 -0.0116 0.00000
509 0.0237 0.00000
510 -0.0462 0.00000
511 0.0442 0.00000
512 0.0094 0.00000
513 0.0204 0.00000
514 0.0219 0.00000
515 -0.0011 0.00000
516 0.0279 0.00000
517 0.0486 0.00000
518 0.0280 0.00000
519 0.0548 0.00000
520 0.0298 0.00000
521 0.0077 0.00000
522 -0.1316 0.00000
523 0.0126 0.00000
524 0.0247 0.00000
525 0.1740 0.00000
526 0.1061 0.00000
527 0.0387 0.00000
528 -0.0160 0.00000
529 0.0313 0.00000
530 0.0082 0.00000
531 -0.0196 0.00000
532 -0.0232 0.00000
533 -0.0067 0.00000
534 -0.0283 0.00000
535 0.0370 0.00000
536 0.0175 0.00000
537 0.0387 0.00000
538 0.0623 0.00000
539 0.0147 0.00000
540 -0.1346 0.00000
541 0.0432 0.00000
542 0.0185 0.00000
543 0.1755 0.00000
544 0.0300 0.00000
545 0.0859 0.00000
546 0.0433 0.00000
547 0.0586 0.00000
548 0.0682 0.00000
549 0.0539 0.00000
550 0.0248 0.00000
551 0.0157 0.00000
552 -0.0104 0.00000
553 0.0435 0.00000
554 -0.0049 0.00000
555 0.0282 0.00000
556 0.1189 0.00000
557 0.0079 0.00000
558 0.1111 0.00000
559 -0.0163 0.00000
560 -0.0148 0.00000
561 -0.0429 0.00000
562 0.0167 0.00000
563 0.0105 0.00000
564 0.1083 0.00000
565 -0.0078 0.00000
566 0.0639 0.00000
567 -0.0784 0.00000
568 -0.0339 0.00000
569 -0.0261 0.00000
570 0.0996 0.00000
571 0.0156 0.00000
572 -0.0195 0.00000
573 0.0372 0.00000
574 -0.0200 0.00000
575 0.0479 0.00000
576 0.0491 0.00000
577 -0.1063 0.00000
578 -0.0547 0.00000
579 -0.0092 0.00000
580 0.0240 0.00000
581 -0.1347 0.00000
582 0.0173 0.00000
583 -0.1063 0.00000
584 -0.2016 0.00000
585 -0.0119 0.00000
586 -0.0149 0.00000
587 0.1419 0.00000
588 0.0372 0.00000
589 -0.0380 0.00000
590 0.0115 0.00000
591 0.0126 0.00000
592 -0.0058 0.00000
593 -0.0151 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0177 0.00000
597 -0.0151 0.00000
598 0.0097 0.00000
599 0.0461 0.00000
600 0.0433 0.00000
601 0.0883 0.00000
602 0.0891 0.00000
603 0.0668 0.00000
604 0.0330 0.00000
605 0.0381 0.00000
606 -0.0224 0.00000
607 -0.0194 0.00000
608 -0.0468 0.00000
609 0.0648 0.00000
610 0.0247 0.00000
611 -0.1452 0.00000
612 0.0143 0.00000
613 0.0442 0.00000
614 0.0322 0.00000
615 -0.0210 0.00000
616 0.0078 0.00000
617 0.0493 0.00000
618 -0.0011 0.00000
619 0.0620 0.00000
620 0.0544 0.00000
621 -0.0247 0.00000
622 0.0433 0.00000
623 0.0308 0.00000
624 0.0259 0.00000
625 0.0098 0.00000
626 -0.0184 0.00000
627 0.0310 0.00000
628 0.2299 0.00000
629 -0.0137 0.00000
630 0.0009 0.00000
631 0.0572 0.00000
632 0.1077 0.00000
633 -0.0040 0.00000
634 0.0115 0.00000
635 0.0425 0.00000
636 0.0804 0.00000
637 -0.0021 0.00000
638 0.0938 0.00000
639 -0.0081 0.00000
640 -0.0048 0.00000
641 0.0615 0.00000
642 0.0044 0.00000
643 0.0490 0.00000
644 0.0210 0.00000
645 0.0309 0.00000
646 0.1435 0.00000
647 0.0564 0.00000
648 0.0395 0.00000
649 0.0519 0.00000
650 -0.0233 0.00000
651 0.0267 0.00000
652 0.0380 0.00000
653 0.0499 0.00000
654 0.0434 0.00000
655 0.0433 0.00000
656 0.0117 0.00000
657 0.0957 0.00000
658 0.1563 0.00000
659 0.0121 0.00000
660 -0.0063 0.00000
661 0.0547 0.00000
662 -0.0089 0.00000
663 0.0310 0.00000
664 -0.0043 0.00000
665 0.0215 0.00000
666 0.0220 0.00000
667 0.0102 0.00000
668 0.0534 0.00000
669 -0.0302 0.00000
670 -0.0444 0.00000
671 0.0238 0.00000
672 -0.0702 0.00000
673 0.1565 0.00000
674 0.0274 0.00000
675 0.0029 0.00000
676 0.0472 0.00000
677 -0.0003 0.00000
678 -0.0082 0.00000
679 0.0655 0.00000
680 0.0225 0.00000
681 0.0836 0.00000
682 -0.0267 0.00000
683 -0.0471 0.00000
684 0.0695 0.00000
685 0.0570 0.00000
686 -0.0541 0.00000
687 -0.0223 0.00000
688 0.0274 0.00000
689 0.0043 0.00000
690 0.0316 0.00000
691 -0.0208 0.00000
692 0.0195 0.00000
693 -0.0182 0.00000
694 0.0212 0.00000
695 0.0341 0.00000
696 0.0761 0.00000
697 0.1153 0.00000
698 0.0060 0.00000
699 -0.0284 0.00000
700 0.0334 0.00000
701 0.0075 0.00000
702 -0.0151 0.00000
703 0.0093 0.00000
704 0.0177 0.00000
705 0.0204 0.00000
706 -0.0764 0.00000
707 0.0075 0.00000
708 -0.0333 0.00000
709 -0.0032 0.00000
710 -0.0394 0.00000
711 -0.0417 0.00000
712 0.0408 0.00000
713 -0.0152 0.00000
714 0.0489 0.00000
715 0.0245 0.00000
716 0.0122 0.00000
717 0.0253 0.00000
718 0.0109 0.00000
719 -0.0162 0.00000
720 0.0160 0.00000
721 -0.0259 0.00000
722 0.0185 0.00000
723 0.0425 0.00000
724 0.0096 0.00000
725 -0.0058 0.00000
726 -0.0042 0.00000
727 0.0019 0.00000
728 0.0190 0.00000
729 0.0054 0.00000
730 0.0805 0.00000
731 0.0080 0.00000
732 0.0337 0.00000
733 0.0222 0.00000
734 -0.0088 0.00000
735 0.0076 0.00000
736 0.0273 0.00000
737 -0.0743 0.00000
738 0.0228 0.00000
739 0.0460 0.00000
740 -0.0063 0.00000
741 0.0446 0.00000
742 -0.0149 0.00000
743 -0.0636 0.00000
744 -0.0003 0.00000
745 -0.0078 0.00000
746 -0.0251 0.00000
747 -0.0003 0.00000
748 -0.0186 0.00000
749 -0.0163 0.00000
750 0.0053 0.00000
751 0.0254 0.00000
752 0.0068 0.00000
753 0.0167 0.00000
754 -0.0017 0.00000
755 -0.0427 0.00000
756 0.0728 0.00000
757 -0.0064 0.00000
758 0.0229 0.00000
759 -0.0426 0.00000
760 0.0118 0.00000
761 0.0307 0.00000
762 -0.0253 0.00000
763 0.0087 0.00000
764 -0.0496 0.00000
765 0.0012 0.00000
766 -0.0131 0.00000
767 -0.0820 0.00000
768 -0.0181 0.00000
769 -0.0040 0.00000
770 0.0216 0.00000
771 -0.0394 0.00000
772 0.0566 0.00000
773 -0.0035 0.00000
774 0.0729 0.00000
775 -0.0196 0.00000
776 -0.0098 0.00000
777 -0.0183 0.00000
778 -0.0082 0.00000
779 0.0112 0.00000
780 0.0280 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0146 0.00000
5 0.2066 0.00000
6 0.2314 0.00000
7 0.0104 0.00000
8 0.0777 0.00000
9 0.2434 0.00000
10 0.0604 0.00000
11 -0.0156 0.00000
12 -0.0339 0.00000
13 -0.0476 0.00000
14 -0.0441 0.00000
15 -0.3828 0.00000
16 0.0025 0.00000
17 0.0434 0.00000
18 -0.0219 0.00000
19 -0.0235 0.00000
20 -0.0377 0.00000
21 -0.0274 0.00000
22 -0.2048 0.00000
23 0.1173 0.00000
24 -0.0498 0.00000
25 -0.5000 0.00000
26 0.2014 0.00000
27 0.0692 0.00000
28 -0.9889 0.00000
29 -0.0101 0.00000
30 -0.0889 0.00000
31 -0.4258 0.00000
32 -1.0647 0.00000
33 0.1529 0.00000
34 0.2474 0.00000
35 0.1080 0.00000
36 -0.0713 0.00000
37 -0.7297 0.00000
38 0.0217 0.00000
39 -0.1389 0.00000
40 0.2720 0.00000
41 -0.0493 0.00000
42 -0.0951 0.00000
43 0.4002 0.00000
44 -0.1711 0.00000
45 -0.0350 0.00000
46 -0.4459 0.00000
47 0.0144 0.00000
48 -0.1124 0.00000
49 0.0279 0.00000
50 -0.0358 0.00000
51 -0.1317 0.00000
52 0.1616 0.00000
53 0.0232 0.00000
54 0.0053 0.00000
55 -0.0524 0.00000
56 -0.0412 0.00000
57 0.0253 0.00000
58 -0.0826 0.00000
59 0.0228 0.00000
60 -0.3119 0.00000
61 -0.2505 0.00000
62 -0.1318 0.00000
63 -0.3209 0.00000
64 -0.0085 0.00000
65 0.1259 0.00000
66 -0.0689 0.00000
67 0.0951 0.00000
68 -0.1243 0.00000
69 0.0380 0.00000
70 0.0448 0.00000
71 0.3012 0.00000
72 0.0741 0.00000
73 0.0445 0.00000
74 -0.0014 0.00000
75 -0.0424 0.00000
76 0.0300 0.00000
77 -0.0146 0.00000
78 -0.0370 0.00000
79 -0.0573 0.00000
80 0.0213 0.00000
81 -0.1118 0.00000
82 0.1487 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0790 0.00000
90 -0.0841 0.00000
91 -0.0966 0.00000
92 -0.0942 0.00000
93 0.0561 0.00000
94 0.0111 0.00000
95 0.0744 0.00000
96 0.0522 0.00000
97 -0.0414 0.00000
98 -0.1871 0.00000
99 -0.0069 0.00000
100 -0.5872 0.00000
101 -0.1225 0.00000
102 0.7766 0.00000
103 -0.1343 0.00000
104 0.1458 0.00000
105 0.0687 0.00000
106 0.0335 0.00000
107 -0.0311 0.00000
108 0.1935 0.00000
109 0.2114 0.00000
110 0.1445 0.00000
111 0.3119 0.00000
112 0.0820 0.00000
113 0.1629 0.00000
114 -0.0694 0.00000
115 -0.2552 0.00000
116 -0.0505 0.00000
117 -0.1783 0.00000
118 0.0679 0.00000
119 0.1430 0.00000
120 0.0564 0.00000
121 0.7145 0.00000
122 -0.1307 0.00000
123 0.0918 0.00000
124 0.3291 0.00000
125 -0.1302 0.00000
126 -0.4018 0.00000
127 -0.0496 0.00000
128 -0.0533 0.00000
129 0.0642 0.00000
130 -0.0501 0.00000
131 0.1258 0.00000
132 0.0389 0.00000
133 0.0295 0.00000
134 -0.1924 0.00000
135 0.0627 0.00000
136 -0.1273 0.00000
137 -0.0280 0.00000
138 -0.3959 0.00000
139 0.0844 0.00000
140 0.0648 0.00000
141 -0.1061 0.00000
142 -0.0075 0.00000
143 0.0706 0.00000
144 0.0733 0.00000
145 0.0567 0.00000
146 0.0003 0.00000
147 -0.0131 0.00000
148 0.1195 0.00000
149 0.1291 0.00000
150 0.2110 0.00000
151 0.0618 0.00000
152 0.0075 0.00000
153 -0.0225 0.00000
154 0.1323 0.00000
155 -0.0481 0.00000
156 -0.0728 0.00000
157 -0.0489 0.00000
158 -0.1409 0.00000
159 0.0007 0.00000
160 0.0127 0.00000
161 0.0320 0.00000
162 0.0088 0.00000
163 -0.3745 0.00000
164 -0.1882 0.00000
165 -0.4215 0.00000
166 -0.0216 0.00000
167 -0.2523 0.00000
168 -0.0553 0.00000
169 0.0906 0.00000
170 0.0256 0.00000
171 0.0879 0.00000
172 -0.1459 0.00000
173 -0.0686 0.00000
174 -0.0762 0.00000
175 0.0242 0.00000
176 -0.3877 0.00000
177 0.1241 0.00000
178 -0.0794 0.00000
179 0.0103 0.00000
180 0.0510 0.00000
181 -0.0538 0.00000
182 0.0342 0.00000
183 0.0630 0.00000
184 -0.1255 0.00000
185 -0.1112 0.00000
186 0.0568 0.00000
187 0.0219 0.00000
188 -0.1794 0.00000
189 0.0221 0.00000
190 -0.0103 0.00000
191 0.1076 0.00000
192 0.0524 0.00000
193 0.0502 0.00000
194 0.0278 0.00000
195 -0.0702 0.00000
196 0.2202 0.00000
197 0.2132 0.00000
198 -0.0334 0.00000
199 -0.0194 0.00000
200 0.0576 0.00000
201 -0.0058 0.00000
202 -0.0488 0.00000
203 -0.0265 0.00000
204 0.0342 0.00000
205 0.0025 0.00000
206 0.0420 0.00000
207 0.0594 0.00000
208 0.0510 0.00000
209 -0.0501 0.00000
210 -0.0927 0.00000
211 -0.0784 0.00000
212 -0.0272 0.00000
213 0.0295 0.00000
214 0.0893 0.00000
215 0.0040 0.00000
216 0.0607 0.00000
217 0.1457 0.00000
218 0.0985 0.00000
219 -0.3779 0.00000
220 -0.0858 0.00000
221 -0.4837 0.00000
222 0.0171 0.00000
223 -0.1440 0.00000
224 -0.0361 0.00000
225 0.0106 0.00000
226 -0.0067 0.00000
227 -0.0393 0.00000
228 0.0642 0.00000
229 0.1398 0.00000
230 0.0020 0.00000
231 -0.0893 0.00000
232 -0.0541 0.00000
233 -0.0499 0.00000
234 -0.0028 0.00000
235 -0.0444 0.00000
236 0.0013 0.00000
237 -0.0336 0.00000
238 -0.0101 0.00000
239 -0.0050 0.00000
240 -0.0818 0.00000
241 -0.0067 0.00000
242 -0.0825 0.00000
243 -0.0686 0.00000
244 -0.0015 0.00000
245 -0.0095 0.00000
246 0.0348 0.00000
247 0.0443 0.00000
248 0.0158 0.00000
249 -0.0173 0.00000
250 0.0525 0.00000
251 -0.0178 0.00000
252 0.0705 0.00000
253 0.0321 0.00000
254 -0.0308 0.00000
255 0.0063 0.00000
256 0.4148 0.00000
257 -0.0715 0.00000
258 0.0344 0.00000
259 0.1285 0.00000
260 0.0877 0.00000
261 0.0274 0.00000
262 0.0127 0.00000
263 0.0179 0.00000
264 -0.0493 0.00000
265 0.0181 0.00000
266 -0.0158 0.00000
267 0.0187 0.00000
268 0.0067 0.00000
269 -0.1120 0.00000
270 0.0467 0.00000
271 0.0411 0.00000
272 -0.0726 0.00000
273 0.0099 0.00000
274 -0.1426 0.00000
275 -0.0456 0.00000
276 0.0397 0.00000
277 -0.0196 0.00000
278 0.0043 0.00000
279 -0.0390 0.00000
280 -0.0001 0.00000
281 0.0308 0.00000
282 -0.0378 0.00000
283 -0.0096 0.00000
284 0.0180 0.00000
285 -0.0331 0.00000
286 -0.0185 0.00000
287 0.0214 0.00000
288 0.0252 0.00000
289 -0.0167 0.00000
290 -0.0137 0.00000
291 -0.0017 0.00000
292 0.0200 0.00000
293 0.0014 0.00000
294 -0.0257 0.00000
295 0.0736 0.00000
296 0.0020 0.00000
297 -0.0104 0.00000
298 -0.0069 0.00000
299 0.0572 0.00000
300 -0.0851 0.00000
301 0.0539 0.00000
302 0.0067 0.00000
303 -0.0600 0.00000
304 -0.0305 0.00000
305 -0.0395 0.00000
306 -0.0464 0.00000
307 0.2194 0.00000
308 0.0098 0.00000
309 -0.0481 0.00000
310 -0.0466 0.00000
311 -0.0868 0.00000
312 -0.0766 0.00000
313 -0.0750 0.00000
314 -0.1124 0.00000
315 0.0196 0.00000
316 -0.1950 0.00000
317 0.0173 0.00000
318 -0.0178 0.00000
319 -0.0448 0.00000
320 0.0141 0.00000
321 0.1252 0.00000
322 0.0029 0.00000
323 -0.0299 0.00000
324 0.0135 0.00000
325 -0.0028 0.00000
326 -0.0025 0.00000
327 -0.0475 0.00000
328 -0.0912 0.00000
329 -0.0043 0.00000
330 -0.0186 0.00000
331 -0.0274 0.00000
332 -0.0057 0.00000
333 -0.0021 0.00000
334 -0.0315 0.00000
335 -0.0467 0.00000
336 -0.0262 0.00000
337 0.0299 0.00000
338 -0.1939 0.00000
339 -0.1583 0.00000
340 0.0406 0.00000
341 -0.0318 0.00000
342 0.0297 0.00000
343 0.0389 0.00000
344 -0.0284 0.00000
345 0.0106 0.00000
346 0.0282 0.00000
347 0.0202 0.00000
348 -0.0304 0.00000
349 -0.0102 0.00000
350 -0.0036 0.00000
351 0.0373 0.00000
352 -0.0183 0.00000
353 0.0815 0.00000
354 0.0598 0.00000
355 -0.0855 0.00000
356 0.0330 0.00000
357 -0.0706 0.00000
358 0.0420 0.00000
359 0.0425 0.00000
360 -0.0022 0.00000
361 0.0482 0.00000
362 0.0179 0.00000
363 -0.0379 0.00000
364 0.0177 0.00000
365 -0.0182 0.00000
366 0.1326 0.00000
367 -0.1097 0.00000
368 0.0295 0.00000
369 -0.0523 0.00000
370 0.0693 0.00000
371 -0.0219 0.00000
372 -0.1758 0.00000
373 -0.0280 0.00000
374 0.0117 0.00000
375 0.0303 0.00000
376 -0.0653 0.00000
377 0.0052 0.00000
378 0.0379 0.00000
379 -0.0273 0.00000
380 0.0573 0.00000
381 0.0365 0.00000
382 -0.0520 0.00000
383 0.0889 0.00000
384 -0.0063 0.00000
385 0.0267 0.00000
386 0.0505 0.00000
387 0.1079 0.00000
388 -0.1730 0.00000
389 0.0333 0.00000
390 0.0136 0.00000
391 -0.0840 0.00000
392 -0.0688 0.00000
393 0.0306 0.00000
394 -0.0933 0.00000
395 0.0230 0.00000
396 0.0692 0.00000
397 -0.0345 0.00000
398 0.0400 0.00000
399 0.0286 0.00000
400 -0.0282 0.00000
401 0.0535 0.00000
402 0.0107 0.00000
403 0.0421 0.00000
404 0.0078 0.00000
405 0.0439 0.00000
406 -0.0036 0.00000
407 -0.0227 0.00000
408 0.0392 0.00000
409 -0.0999 0.00000
410 -0.0733 0.00000
411 -0.0026 0.00000
412 -0.0596 0.00000
413 0.0922 0.00000
414 0.0270 0.00000
415 0.0875 0.00000
416 -0.0912 0.00000
417 0.0226 0.00000
418 0.0054 0.00000
419 -0.0233 0.00000
420 0.0165 0.00000
421 0.0423 0.00000
422 -0.0516 0.00000
423 0.0155 0.00000
424 -0.0508 0.00000
425 0.0889 0.00000
426 -0.0383 0.00000
427 -0.0134 0.00000
428 0.0286 0.00000
429 0.0683 0.00000
430 0.0450 0.00000
431 -0.0028 0.00000
432 0.0370 0.00000
433 0.0055 0.00000
434 -0.0162 0.00000
435 -0.0185 0.00000
436 -0.0655 0.00000
437 0.0342 0.00000
438 -0.0409 0.00000
439 0.0600 0.00000
440 -0.0164 0.00000
441 -0.0087 0.00000
442 -0.1690 0.00000
443 -0.0352 0.00000
444 0.0264 0.00000
445 -0.0565 0.00000
446 0.0228 0.00000
447 0.0188 0.00000
448 0.0293 0.00000
449 -0.0624 0.00000
450 0.0609 0.00000
451 -0.0068 0.00000
452 0.0550 0.00000
453 -0.2347 0.00000
454 -0.0402 0.00000
455 -0.0075 0.00000
456 -0.0181 0.00000
457 0.0223 0.00000
458 -0.0589 0.00000
459 -0.0773 0.00000
460 -0.0049 0.00000
461 0.0459 0.00000
462 -0.1461 0.00000
463 0.0651 0.00000
464 0.0573 0.00000
465 -0.0374 0.00000
466 0.0638 0.00000
467 0.0218 0.00000
468 -0.1000 0.00000
469 0.0381 0.00000
470 -0.0279 0.00000
471 -0.0594 0.00000
472 -0.0448 0.00000
473 -0.1669 0.00000
474 -0.2233 0.00000
475 -0.0375 0.00000
476 -0.0241 0.00000
477 0.0143 0.00000
478 -0.1985 0.00000
479 -0.1030 0.00000
480 -0.0143 0.00000
481 0.0535 0.00000
482 -0.3407 0.00000
483 -0.0534 0.00000
484 0.0129 0.00000
485 0.0258 0.00000
486 -0.0121 0.00000
487 0.0226 0.00000
488 -0.1665 0.00000
489 0.0188 0.00000
490 -0.0939 0.00000
491 0.0300 0.00000
492 -0.0066 0.00000
493 0.0085 0.00000
494 0.0161 0.00000
495 0.0139 0.00000
496 -0.0054 0.00000
497 0.0059 0.00000
498 -0.0333 0.00000
499 0.0032 0.00000
500 -0.1279 0.00000
501 0.0133 0.00000
502 0.0109 0.00000
503 0.0268 0.00000
504 0.0234 0.00000
505 -0.0355 0.00000
506 -0.0206 0.00000
507 0.0349 0.00000
508 -0.0359 0.00000
509 -0.0630 0.00000
510 -0.0261 0.00000
511 -0.0093 0.00000
512 -0.0260 0.00000
513 0.1341 0.00000
514 -0.0172 0.00000
515 -0.0188 0.00000
516 0.0650 0.00000
517 -0.0014 0.00000
518 -0.0277 0.00000
519 -0.0080 0.00000
520 -0.0306 0.00000
521 0.0546 0.00000
522 0.1358 0.00000
523 0.0218 0.00000
524 -0.0003 0.00000
525 0.0748 0.00000
526 0.0409 0.00000
527 0.0079 0.00000
528 0.1000 0.00000
529 0.0672 0.00000
530 -0.0710 0.00000
531 0.1234 0.00000
532 0.0513 0.00000
533 0.0413 0.00000
534 -0.0546 0.00000
535 0.0064 0.00000
536 -0.1154 0.00000
537 -0.0094 0.00000
538 0.0057 0.00000
539 0.0221 0.00000
540 0.0378 0.00000
541 0.0048 0.00000
542 0.1300 0.00000
543 -0.0052 0.00000
544 0.0675 0.00000
545 0.0032 0.00000
546 0.1106 0.00000
547 0.0052 0.00000
548 0.0746 0.00000
549 0.0308 0.00000
550 0.0026 0.00000
551 0.0209 0.00000
552 0.0246 0.00000
553 0.0230 0.00000
554 0.0448 0.00000
555 0.0386 0.00000
556 0.0529 0.00000
557 0.0917 0.00000
558 0.0134 0.00000
559 -0.0704 0.00000
560 0.0184 0.00000
561 0.0238 0.00000
562 0.0284 0.00000
563 -0.0253 0.00000
564 0.1264 0.00000
565 0.1024 0.00000
566 -0.1238 0.00000
567 -0.0157 0.00000
568 0.0542 0.00000
569 0.0045 0.00000
570 0.0686 0.00000
571 0.0014 0.00000
572 -0.0064 0.00000
573 0.0089 0.00000
574 -0.0509 0.00000
575 0.0209 0.00000
576 -0.0371 0.00000
577 -0.0443 0.00000
578 -0.0395 0.00000
579 0.0120 0.00000
580 -0.0241 0.00000
581 -0.1497 0.00000
582 0.0258 0.00000
583 0.0320 0.00000
584 -0.3007 0.00000
585 0.0045 0.00000
586 0.0204 0.00000
587 0.1258 0.00000
588 0.0437 0.00000
589 -0.0378 0.00000
590 0.0116 0.00000
591 0.0132 0.00000
592 -0.0073 0.00000
593 -0.0148 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0178 0.00000
597 -0.0152 0.00000
598 0.0072 0.00000
599 0.0355 0.00000
600 0.0840 0.00000
601 0.0736 0.00000
602 0.0330 0.00000
603 0.0792 0.00000
604 0.0371 0.00000
605 -0.0526 0.00000
606 -0.0436 0.00000
607 0.0433 0.00000
608 0.0085 0.00000
609 0.0078 0.00000
610 -0.0186 0.00000
611 0.0504 0.00000
612 -0.0044 0.00000
613 0.0392 0.00000
614 -0.0310 0.00000
615 0.0021 0.00000
616 0.0002 0.00000
617 0.0528 0.00000
618 0.0620 0.00000
619 -0.0101 0.00000
620 0.0751 0.00000
621 0.0243 0.00000
622 0.0290 0.00000
623 -0.0113 0.00000
624 0.0265 0.00000
625 -0.0720 0.00000
626 0.1697 0.00000
627 0.0705 0.00000
628 0.0463 0.00000
629 -0.0360 0.00000
630 0.0705 0.00000
631 0.0425 0.00000
632 0.0297 0.00000
633 0.0053 0.00000
634 0.1104 0.00000
635 -0.0435 0.00000
636 -0.0302 0.00000
637 0.0163 0.00000
638 0.1835 0.00000
639 0.2865 0.00000
640 0.0055 0.00000
641 -0.0476 0.00000
642 0.0106 0.00000
643 0.0562 0.00000
644 0.0452 0.00000
645 0.0389 0.00000
646 -0.0410 0.00000
647 0.0274 0.00000
648 0.0234 0.00000
649 0.0446 0.00000
650 0.0077 0.00000
651 0.0006 0.00000
652 0.1155 0.00000
653 -0.0176 0.00000
654 0.0256 0.00000
655 0.0896 0.00000
656 -0.0066 0.00000
657 0.1399 0.00000
658 0.0179 0.00000
659 0.0735 0.00000
660 0.0175 0.00000
661 0.0383 0.00000
662 -0.0008 0.00000
663 0.0332 0.00000
664 0.0175 0.00000
665 -0.0179 0.00000
666 0.0727 0.00000
667 -0.0172 0.00000
668 0.0133 0.00000
669 0.0286 0.00000
670 0.0029 0.00000
671 0.0297 0.00000
672 0.0005 0.00000
673 -0.0178 0.00000
674 0.0617 0.00000
675 0.0180 0.00000
676 0.0096 0.00000
677 0.0356 0.00000
678 -0.0102 0.00000
679 -0.0015 0.00000
680 -0.0022 0.00000
681 0.0556 0.00000
682 -0.0117 0.00000
683 -0.0027 0.00000
684 -0.0043 0.00000
685 0.0344 0.00000
686 -0.0291 0.00000
687 0.0098 0.00000
688 0.0411 0.00000
689 -0.0153 0.00000
690 0.0527 0.00000
691 -0.0313 0.00000
692 0.1317 0.00000
693 -0.0003 0.00000
694 0.0577 0.00000
695 0.0489 0.00000
696 0.0310 0.00000
697 -0.0296 0.00000
698 0.0247 0.00000
699 0.0377 0.00000
700 -0.0405 0.00000
701 -0.0655 0.00000
702 -0.0121 0.00000
703 0.0298 0.00000
704 0.0399 0.00000
705 -0.0489 0.00000
706 -0.0084 0.00000
707 0.0466 0.00000
708 0.0086 0.00000
709 0.0509 0.00000
710 0.0030 0.00000
711 0.0143 0.00000
712 0.0195 0.00000
713 -0.0835 0.00000
714 0.0895 0.00000
715 0.0812 0.00000
716 -0.0054 0.00000
717 0.0219 0.00000
718 -0.0117 0.00000
719 0.0033 0.00000
720 -0.0068 0.00000
721 0.0357 0.00000
722 0.0726 0.00000
723 0.0085 0.00000
724 -0.0915 0.00000
725 0.0114 0.00000
726 0.0325 0.00000
727 0.0130 0.00000
728 0.0513 0.00000
729 0.0230 0.00000
730 0.0201 0.00000
731 -0.0096 0.00000
732 -0.0362 0.00000
733 -0.0128 0.00000
734 -0.0123 0.00000
735 0.0065 0.00000
736 0.0081 0.00000
737 0.0372 0.00000
738 0.0384 0.00000
739 0.0393 0.00000
740 0.0173 0.00000
741 -0.0206 0.00000
742 -0.0291 0.00000
743 -0.0291 0.00000
744 0.0381 0.00000
745 0.0138 0.00000
746 -0.0171 0.00000
747 -0.0300 0.00000
748 0.0160 0.00000
749 0.0168 0.00000
750 -0.0109 0.00000
751 -0.0495 0.00000
752 -0.0072 0.00000
753 -0.0377 0.00000
754 0.0632 0.00000
755 0.0119 0.00000
756 -0.0024 0.00000
757 0.0058 0.00000
758 0.0297 0.00000
759 0.0004 0.00000
760 0.0180 0.00000
761 0.0283 0.00000
762 0.0292 0.00000
763 -0.0270 0.00000
764 0.0028 0.00000
765 0.0143 0.00000
766 0.0204 0.00000
767 0.0110 0.00000
768 -0.0386 0.00000
769 -0.0305 0.00000
770 0.0188 0.00000
771 -0.0055 0.00000
772 0.0002 0.00000
773 -0.0487 0.00000
774 -0.0348 0.00000
775 -0.1462 0.00000
776 -0.0193 0.00000
777 -0.0215 0.00000
778 -0.0193 0.00000
779 -0.0062 0.00000
780 -0.0042 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2345 0.00000
4 -0.0150 0.00000
5 0.2064 0.00000
6 0.2337 0.00000
7 0.0087 0.00000
8 0.0782 0.00000
9 0.2423 0.00000
10 0.0616 0.00000
11 -0.0179 0.00000
12 -0.0329 0.00000
13 -0.0478 0.00000
14 -0.0441 0.00000
15 -0.3784 0.00000
16 -0.0111 0.00000
17 0.0029 0.00000
18 0.0477 0.00000
19 -0.0302 0.00000
20 -0.0409 0.00000
21 -0.0277 0.00000
22 -0.1583 0.00000
23 0.0857 0.00000
24 -0.0706 0.00000
25 -0.6242 0.00000
26 -0.0130 0.00000
27 0.2800 0.00000
28 -0.5003 0.00000
29 -0.0133 0.00000
30 -0.1864 0.00000
31 -0.8131 0.00000
32 -0.9860 0.00000
33 0.1827 0.00000
34 0.2208 0.00000
35 0.0868 0.00000
36 -0.0815 0.00000
37 -0.4738 0.00000
38 0.0192 0.00000
39 -0.3264 0.00000
40 0.2719 0.00000
41 -0.0369 0.00000
42 -0.2062 0.00000
43 0.3994 0.00000
44 -0.0822 0.00000
45 -0.1477 0.00000
46 0.0407 0.00000
47 -0.3391 0.00000
48 -0.2675 0.00000
49 0.0360 0.00000
50 0.0414 0.00000
51 0.0730 0.00000
52 -0.0001 0.00000
53 0.0343 0.00000
54 0.0926 0.00000
55 -0.0610 0.00000
56 -0.0763 0.00000
57 0.0237 0.00000
58 -0.1330 0.00000
59 -0.1347 0.00000
60 0.0345 0.00000
61 -0.1411 0.00000
62 -0.6337 0.00000
63 -0.0524 0.00000
64 0.0089 0.00000
65 0.0851 0.00000
66 -0.0326 0.00000
67 -0.1458 0.00000
68 0.0804 0.00000
69 0.0295 0.00000
70 0.0338 0.00000
71 0.3008 0.00000
72 0.0743 0.00000
73 0.0487 0.00000
74 -0.0041 0.00000
75 -0.0392 0.00000
76 0.0249 0.00000
77 -0.0109 0.00000
78 -0.0584 0.00000
79 -0.0386 0.00000
80 0.0210 0.00000
81 -0.1114 0.00000
82 0.1484 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0808 0.00000
90 -0.0908 0.00000
91 -0.0360 0.00000
92 -0.1476 0.00000
93 0.0595 0.00000
94 0.0122 0.00000
95 0.0700 0.00000
96 0.0130 0.00000
97 0.0129 0.00000
98 -0.4163 0.00000
99 -0.0331 0.00000
100 -0.0167 0.00000
101 -0.4383 0.00000
102 0.8217 0.00000
103 -0.2916 0.00000
104 0.2475 0.00000
105 0.1012 0.00000
106 0.0324 0.00000
107 0.0917 0.00000
108 0.0476 0.00000
109 0.1813 0.00000
110 0.1181 0.00000
111 0.3392 0.00000
112 0.0796 0.00000
113 0.1994 0.00000
114 -0.2168 0.00000
115 -0.0899 0.00000
116 -0.0686 0.00000
117 -0.1723 0.00000
118 0.0700 0.00000
119 0.1642 0.00000
120 0.0569 0.00000
121 0.4284 0.00000
122 0.0478 0.00000
123 0.3149 0.00000
124 0.1302 0.00000
125 -0.1029 0.00000
126 -0.3469 0.00000
127 -0.0248 0.00000
128 -0.1336 0.00000
129 0.0487 0.00000
130 -0.0813 0.00000
131 0.2165 0.00000
132 -0.0384 0.00000
133 0.0752 0.00000
134 -0.1962 0.00000
135 0.0667 0.00000
136 -0.1265 0.00000
137 -0.0442 0.00000
138 -0.3916 0.00000
139 0.1031 0.00000
140 0.0515 0.00000
141 -0.1046 0.00000
142 -0.0114 0.00000
143 0.0713 0.00000
144 0.0751 0.00000
145 0.0529 0.00000
146 0.0052 0.00000
147 -0.0141 0.00000
148 0.1281 0.00000
149 0.1382 0.00000
150 0.1502 0.00000
151 0.0965 0.00000
152 -0.0322 0.00000
153 0.0369 0.00000
154 0.0639 0.00000
155 0.0826 0.00000
156 -0.0787 0.00000
157 0.0348 0.00000
158 -0.0685 0.00000
159 -0.1118 0.00000
160 -0.1502 0.00000
161 0.0368 0.00000
162 0.0328 0.00000
163 -0.1335 0.00000
164 -0.5358 0.00000
165 -0.2827 0.00000
166 -0.0390 0.00000
167 -0.1632 0.00000
168 -0.0116 0.00000
169 -0.0596 0.00000
170 -0.0326 0.00000
171 -0.0390 0.00000
172 0.1410 0.00000
173 -0.0956 0.00000
174 -0.1678 0.00000
175 0.0758 0.00000
176 -0.1483 0.00000
177 -0.0151 0.00000
178 -0.0256 0.00000
179 -0.0226 0.00000
180 0.0862 0.00000
181 -0.3201 0.00000
182 -0.0233 0.00000
183 -0.0195 0.00000
184 0.0172 0.00000
185 -0.0267 0.00000
186 -0.0258 0.00000
187 0.0042 0.00000
188 -0.0346 0.00000
189 0.0126 0.00000
190 0.0926 0.00000
191 0.0645 0.00000
192 -0.0402 0.00000
193 -0.0499 0.00000
194 0.0962 0.00000
195 0.0231 0.00000
196 0.1599 0.00000
197 0.1974 0.00000
198 -0.0729 0.00000
199 -0.0513 0.00000
200 0.0538 0.00000
201 0.0263 0.00000
202 0.0393 0.00000
203 -0.0231 0.00000
204 -0.0387 0.00000
205 0.0427 0.00000
206 0.0627 0.00000
207 0.0787 0.00000
208 0.0562 0.00000
209 -0.0020 0.00000
210 -0.1973 0.00000
211 -0.0514 0.00000
212 -0.0452 0.00000
213 0.0389 0.00000
214 0.0473 0.00000
215 0.0083 0.00000
216 -0.0150 0.00000
217 0.1692 0.00000
218 0.0778 0.00000
219 -0.1889 0.00000
220 0.0344 0.00000
221 -0.6980 0.00000
222 0.0167 0.00000
223 -0.1583 0.00000
224 0.0059 0.00000
225 0.0187 0.00000
226 -0.0291 0.00000
227 -0.0318 0.00000
228 0.0505 0.00000
229 0.1391 0.00000
230 0.0137 0.00000
231 -0.0894 0.00000
232 -0.0544 0.00000
233 -0.0487 0.00000
234 -0.0005 0.00000
235 -0.0481 0.00000
236 0.0091 0.00000
237 -0.0260 0.00000
238 -0.0433 0.00000
239 -0.0124 0.00000
240 -0.0413 0.00000
241 -0.0073 0.00000
242 -0.0349 0.00000
243 -0.0469 0.00000
244 -0.0022 0.00000
245 -0.1032 0.00000
246 -0.0099 0.00000
247 0.0471 0.00000
248 0.0431 0.00000
249 -0.0177 0.00000
250 0.0955 0.00000
251 -0.0450 0.00000
252 -0.0151 0.00000
253 -0.0150 0.00000
254 0.0091 0.00000
255 0.1118 0.00000
256 0.1798 0.00000
257 0.0271 0.00000
258 0.3439 0.00000
259 0.0290 0.00000
260 -0.0734 0.00000
261 0.0462 0.00000
262 0.0308 0.00000
263 0.0236 0.00000
264 0.0729 0.00000
265 -0.0004 0.00000
266 -0.0096 0.00000
267 0.0285 0.00000
268 0.0177 0.00000
269 -0.0151 0.00000
270 -0.0810 0.00000
271 0.0108 0.00000
272 -0.1438 0.00000
273 0.0592 0.00000
274 -0.1024 0.00000
275 0.0335 0.00000
276 -0.1710 0.00000
277 -0.0117 0.00000
278 -0.0162 0.00000
279 -0.0056 0.00000
280 -0.0391 0.00000
281 0.0418 0.00000
282 0.0152 0.00000
283 0.0191 0.00000
284 0.0039 0.00000
285 0.0359 0.00000
286 0.0625 0.00000
287 0.0473 0.00000
288 -0.0130 0.00000
289 -0.0180 0.00000
290 -0.1151 0.00000
291 0.1592 0.00000
292 0.0136 0.00000
293 -0.0932 0.00000
294 0.0432 0.00000
295 0.0015 0.00000
296 0.0128 0.00000
297 -0.0164 0.00000
298 -0.0042 0.00000
299 -0.0074 0.00000
300 0.0113 0.00000
301 -0.1254 0.00000
302 -0.1149 0.00000
303 0.0071 0.00000
304 -0.0245 0.00000
305 0.0132 0.00000
306 0.0275 0.00000
307 0.0327 0.00000
308 0.0740 0.00000
309 0.0284 0.00000
310 -0.0859 0.00000
311 -0.0042 0.00000
312 -0.2581 0.00000
313 -0.0658 0.00000
314 -0.0159 0.00000
315 -0.0422 0.00000
316 0.0432 0.00000
317 0.1091 0.00000
318 -0.0170 0.00000
319 -0.0691 0.00000
320 -0.0892 0.00000
321 0.0312 0.00000
322 -0.0329 0.00000
323 0.0173 0.00000
324 0.0262 0.00000
325 -0.0520 0.00000
326 -0.0128 0.00000
327 0.0124 0.00000
328 -0.0856 0.00000
329 -0.0256 0.00000
330 -0.0826 0.00000
331 -0.0150 0.00000
332 -0.0120 0.00000
333 -0.0322 0.00000
334 -0.0021 0.00000
335 -0.0916 0.00000
336 0.0177 0.00000
337 0.0026 0.00000
338 0.0313 0.00000
339 -0.0310 0.00000
340 -0.2084 0.00000
341 -0.0063 0.00000
342 0.0144 0.00000
343 -0.0057 0.00000
344 -0.0173 0.00000
345 -0.0686 0.00000
346 0.0387 0.00000
347 -0.0025 0.00000
348 0.0175 0.00000
349 0.0521 0.00000
350 -0.0963 0.00000
351 0.0686 0.00000
352 0.0954 0.00000
353 -0.0136 0.00000
354 0.0343 0.00000
355 0.0023 0.00000
356 -0.0052 0.00000
357 0.1039 0.00000
358 -0.0172 0.00000
359 -0.0059 0.00000
360 0.0550 0.00000
361 0.0211 0.00000
362 -0.0613 0.00000
363 0.0094 0.00000
364 0.0278 0.00000
365 -0.0819 0.00000
366 0.0100 0.00000
367 -0.0012 0.00000
368 0.1718 0.00000
369 -0.0403 0.00000
370 0.0441 0.00000
371 0.0284 0.00000
372 -0.4511 0.00000
373 -0.0278 0.00000
374 0.0502 0.00000
375 0.0509 0.00000
376 0.0620 0.00000
377 0.0677 0.00000
378 0.0753 0.00000
379 -0.0311 0.00000
380 -0.0443 0.00000
381 0.0201 0.00000
382 -0.0136 0.00000
383 -0.0044 0.00000
384 0.0729 0.00000
385 0.0387 0.00000
386 -0.1378 0.00000
387 0.1930 0.00000
388 -0.0839 0.00000
389 -0.0877 0.00000
390 0.0227 0.00000
391 0.0289 0.00000
392 -0.0177 0.00000
393 0.0170 0.00000
394 0.0634 0.00000
395 0.0248 0.00000
396 -0.0234 0.00000
397 -0.1529 0.00000
398 -0.0080 0.00000
399 -0.0219 0.00000
400 0.0176 0.00000
401 0.0460 0.00000
402 0.0214 0.00000
403 -0.0873 0.00000
404 0.0002 0.00000
405 0.0011 0.00000
406 0.0193 0.00000
407 0.0065 0.00000
408 -0.0880 0.00000
409 0.0687 0.00000
410 0.0567 0.00000
411 0.1187 0.00000
412 -0.0169 0.00000
413 0.0867 0.00000
414 -0.0003 0.00000
415 0.0041 0.00000
416 -0.0014 0.00000
417 -0.0231 0.00000
418 -0.0067 0.00000
419 -0.0117 0.00000
420 0.0337 0.00000
421 0.0001 0.00000
422 0.0772 0.00000
423 -0.0987 0.00000
424 0.0115 0.00000
425 -0.0547 0.00000
426 -0.0337 0.00000
427 0.0158 0.00000
428 0.0006 0.00000
429 -0.0183 0.00000
430 -0.1160 0.00000
431 0.0432 0.00000
432 0.0250 0.00000
433 -0.0917 0.00000
434 -0.0071 0.00000
435 -0.0358 0.00000
436 0.0019 0.00000
437 0.0227 0.00000
438 0.0132 0.00000
439 0.1333 0.00000
440 -0.0746 0.00000
441 0.0281 0.00000
442 0.0070 0.00000
443 -0.0127 0.00000
444 -0.1753 0.00000
445 -0.0222 0.00000
446 -0.0231 0.00000
447 -0.0548 0.00000
448 -0.0464 0.00000
449 -0.0137 0.00000
450 -0.0275 0.00000
451 0.0167 0.00000
452 -0.1781 0.00000
453 0.0158 0.00000
454 0.0452 0.00000
455 0.0259 0.00000
456 0.0991 0.00000
457 -0.1686 0.00000
458 -0.0986 0.00000
459 0.0330 0.00000
460 0.0528 0.00000
461 0.0501 0.00000
462 0.0125 0.00000
463 0.0229 0.00000
464 -0.0901 0.00000
465 0.0568 0.00000
466 -0.0095 0.00000
467 0.0107 0.00000
468 -0.1170 0.00000
469 0.0370 0.00000
470 0.0303 0.00000
471 -0.0377 0.00000
472 0.0046 0.00000
473 0.0344 0.00000
474 -0.1829 0.00000
475 0.0246 0.00000
476 -0.0825 0.00000
477 -0.0165 0.00000
478 0.0163 0.00000
479 0.0577 0.00000
480 0.0093 0.00000
481 -0.3445 0.00000
482 -0.0370 0.00000
483 -0.0267 0.00000
484 -0.0767 0.00000
485 -0.0358 0.00000
486 -0.2804 0.00000
487 0.0556 0.00000
488 -0.1824 0.00000
489 -0.0831 0.00000
490 -0.0572 0.00000
491 0.0044 0.00000
492 0.0134 0.00000
493 -0.0385 0.00000
494 -0.0047 0.00000
495 -0.0085 0.00000
496 -0.0916 0.00000
497 0.0660 0.00000
498 -0.0071 0.00000
499 0.0338 0.00000
500 -0.0695 0.00000
501 0.0150 0.00000
502 -0.0234 0.00000
503 -0.0425 0.00000
504 -0.0149 0.00000
505 -0.0262 0.00000
506 -0.0371 0.00000
507 0.0136 0.00000
508 0.0589 0.00000
509 -0.0407 0.00000
510 0.0511 0.00000
511 -0.0124 0.00000
512 -0.0151 0.00000
513 -0.0469 0.00000
514 -0.0001 0.00000
515 0.0032 0.00000
516 -0.0134 0.00000
517 0.0454 0.00000
518 -0.0443 0.00000
519 0.0063 0.00000
520 0.0532 0.00000
521 0.0166 0.00000
522 0.1171 0.00000
523 0.0068 0.00000
524 0.0945 0.00000
525 0.0399 0.00000
526 -0.0220 0.00000
527 0.0215 0.00000
528 0.0962 0.00000
529 0.0065 0.00000
530 0.0292 0.00000
531 0.0730 0.00000
532 0.0302 0.00000
533 0.0091 0.00000
534 -0.1892 0.00000
535 0.0036 0.00000
536 -0.0594 0.00000
537 -0.0354 0.00000
538 0.0227 0.00000
539 0.1609 0.00000
540 0.0173 0.00000
541 0.0609 0.00000
542 0.1126 0.00000
543 0.0964 0.00000
544 0.0771 0.00000
545 0.0082 0.00000
546 0.0806 0.00000
547 0.0948 0.00000
548 0.0062 0.00000
549 0.0217 0.00000
550 -0.0068 0.00000
551 -0.0252 0.00000
552 0.0485 0.00000
553 0.0092 0.00000
554 0.0393 0.00000
555 0.0346 0.00000
556 0.0194 0.00000
557 0.1488 0.00000
558 -0.0589 0.00000
559 0.0334 0.00000
560 -0.0332 0.00000
561 0.0258 0.00000
562 0.0735 0.00000
563 -0.0284 0.00000
564 0.1635 0.00000
565 0.0349 0.00000
566 -0.1121 0.00000
567 -0.0336 0.00000
568 0.0197 0.00000
569 0.0114 0.00000
570 0.0587 0.00000
571 0.0231 0.00000
572 -0.0032 0.00000
573 0.0031 0.00000
574 0.0418 0.00000
575 -0.0500 0.00000
576 0.0001 0.00000
577 0.0004 0.00000
578 -0.0072 0.00000
579 -0.0320 0.00000
580 -0.0915 0.00000
581 -0.0785 0.00000
582 -0.0186 0.00000
583 -0.0916 0.00000
584 -0.2265 0.00000
585 0.0402 0.00000
586 -0.0032 0.00000
587 0.1236 0.00000
588 0.0509 0.00000
589 -0.0380 0.00000
590 0.0108 0.00000
591 0.0117 0.00000
592 -0.0056 0.00000
593 -0.0151 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0178 0.00000
597 -0.0151 0.00000
598 -0.0252 0.00000
599 0.0937 0.00000
600 0.1347 0.00000
601 0.0219 0.00000
602 -0.0643 0.00000
603 0.0850 0.00000
604 0.0799 0.00000
605 0.0006 0.00000
606 0.0223 0.00000
607 -0.0073 0.00000
608 0.0300 0.00000
609 -0.0480 0.00000
610 -0.0080 0.00000
611 -0.0320 0.00000
612 0.0104 0.00000
613 -0.0172 0.00000
614 -0.0022 0.00000
615 0.0280 0.00000
616 -0.0235 0.00000
617 0.0119 0.00000
618 0.1667 0.00000
619 -0.0083 0.00000
620 -0.0134 0.00000
621 0.0605 0.00000
622 -0.0011 0.00000
623 0.0645 0.00000
624 0.0693 0.00000
625 0.0003 0.00000
626 -0.0255 0.00000
627 0.0776 0.00000
628 0.0154 0.00000
629 0.1141 0.00000
630 0.1151 0.00000
631 0.0133 0.00000
632 0.0379 0.00000
633 0.1503 0.00000
634 0.0112 0.00000
635 0.0255 0.00000
636 -0.0474 0.00000
637 0.0246 0.00000
638 0.0194 0.00000
639 0.0158 0.00000
640 0.0387 0.00000
641 0.0028 0.00000
642 0.1026 0.00000
643 0.0942 0.00000
644 0.1295 0.00000
645 -0.0427 0.00000
646 0.0570 0.00000
647 0.0074 0.00000
648 -0.0275 0.00000
649 0.0600 0.00000
650 0.0000 0.00000
651 -0.0107 0.00000
652 0.1037 0.00000
653 0.0141 0.00000
654 0.1378 0.00000
655 0.0571 0.00000
656 0.0677 0.00000
657 -0.0168 0.00000
658 0.0010 0.00000
659 0.0425 0.00000
660 0.0255 0.00000
661 0.0096 0.00000
662 0.0044 0.00000
663 0.0101 0.00000
664 0.0177 0.00000
665 0.0788 0.00000
666 0.0827 0.00000
667 -0.0227 0.00000
668 -0.0394 0.00000
669 -0.0288 0.00000
670 0.0605 0.00000
671 0.0376 0.00000
672 -0.0145 0.00000
673 0.0413 0.00000
674 0.0017 0.00000
675 0.0830 0.00000
676 0.0421 0.00000
677 0.0052 0.00000
678 0.0221 0.00000
679 0.0357 0.00000
680 0.0442 0.00000
681 0.1057 0.00000
682 -0.0101 0.00000
683 -0.0078 0.00000
684 -0.0621 0.00000
685 0.0594 0.00000
686 0.0072 0.00000
687 0.0571 0.00000
688 0.0109 0.00000
689 0.0285 0.00000
690 0.1188 0.00000
691 -0.0071 0.00000
692 -0.0026 0.00000
693 -0.0120 0.00000
694 0.0014 0.00000
695 0.0090 0.00000
696 -0.0516 0.00000
697 0.0306 0.00000
698 0.0156 0.00000
699 0.0578 0.00000
700 -0.0031 0.00000
701 0.0408 0.00000
702 -0.0438 0.00000
703 -0.0911 0.00000
704 -0.0568 0.00000
705 0.0042 0.00000
706 0.0098 0.00000
707 0.0360 0.00000
708 0.0141 0.00000
709 -0.0356 0.00000
710 0.0449 0.00000
711 -0.0039 0.00000
712 -0.0617 0.00000
713 -0.0120 0.00000
714 0.0372 0.00000
715 0.0237 0.00000
716 -0.0291 0.00000
717 -0.0117 0.00000
718 0.0011 0.00000
719 0.0263 0.00000
720 0.0031 0.00000
721 0.0062 0.00000
722 -0.0169 0.00000
723 0.0023 0.00000
724 0.0665 0.00000
725 0.0723 0.00000
726 0.0470 0.00000
727 -0.0027 0.00000
728 -0.0289 0.00000
729 0.0336 0.00000
730 0.1769 0.00000
731 -0.0222 0.00000
732 -0.0114 0.00000
733 0.0030 0.00000
734 -0.0147 0.00000
735 0.0337 0.00000
736 0.0104 0.00000
737 -0.0526 0.00000
738 -0.0706 0.00000
739 -0.0297 0.00000
740 0.0444 0.00000
741 -0.0488 0.00000
742 0.0259 0.00000
743 0.0559 0.00000
744 -0.0231 0.00000
745 -0.0066 0.00000
746 0.0195 0.00000
747 0.0416 0.00000
748 -0.0188 0.00000
749 0.0321 0.00000
750 -0.0370 0.00000
751 0.0391 0.00000
752 -0.0303 0.00000
753 -0.0327 0.00000
754 0.0133 0.00000
755 -0.0170 0.00000
756 0.0154 0.00000
757 0.0520 0.00000
758 -0.0159 0.00000
759 0.0937 0.00000
760 -0.0197 0.00000
761 -0.0010 0.00000
762 -0.0046 0.00000
763 -0.0418 0.00000
764 -0.0235 0.00000
765 -0.0045 0.00000
766 -0.0314 0.00000
767 0.0552 0.00000
768 -0.0353 0.00000
769 -0.0051 0.00000
770 -0.0012 0.00000
771 -0.0133 0.00000
772 -0.0288 0.00000
773 -0.0098 0.00000
774 0.0127 0.00000
775 0.0044 0.00000
776 -0.0059 0.00000
777 -0.0176 0.00000
778 0.0230 0.00000
779 -0.0597 0.00000
780 0.0573 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0105 0.00000
5 0.2023 0.00000
6 0.2327 0.00000
7 0.0093 0.00000
8 0.0778 0.00000
9 0.2432 0.00000
10 0.0605 0.00000
11 -0.0157 0.00000
12 -0.0339 0.00000
13 -0.0477 0.00000
14 -0.0441 0.00000
15 -0.3828 0.00000
16 -0.0096 0.00000
17 0.0218 0.00000
18 0.0159 0.00000
19 -0.0361 0.00000
20 -0.0340 0.00000
21 -0.0273 0.00000
22 -0.1770 0.00000
23 0.0961 0.00000
24 0.0354 0.00000
25 -0.6681 0.00000
26 0.1133 0.00000
27 0.1139 0.00000
28 -0.7941 0.00000
29 -0.0269 0.00000
30 -0.1204 0.00000
31 -0.5047 0.00000
32 -1.0972 0.00000
33 0.1796 0.00000
34 0.2747 0.00000
35 0.0850 0.00000
36 -0.0840 0.00000
37 -0.4753 0.00000
38 0.0179 0.00000
39 -0.3747 0.00000
40 0.2722 0.00000
41 -0.0464 0.00000
42 -0.1507 0.00000
43 0.4016 0.00000
44 -0.1248 0.00000
45 -0.0935 0.00000
46 0.0336 0.00000
47 -0.3008 0.00000
48 -0.2323 0.00000
49 -0.0716 0.00000
50 0.0458 0.00000
51 0.1642 0.00000
52 -0.0606 0.00000
53 0.0324 0.00000
54 -0.0368 0.00000
55 0.0489 0.00000
56 -0.0665 0.00000
57 0.0259 0.00000
58 -0.0885 0.00000
59 -0.1226 0.00000
60 0.0014 0.00000
61 -0.5439 0.00000
62 -0.1886 0.00000
63 -0.1496 0.00000
64 -0.0076 0.00000
65 0.1238 0.00000
66 -0.0658 0.00000
67 -0.1324 0.00000
68 0.0923 0.00000
69 0.0395 0.00000
70 0.0486 0.00000
71 0.2974 0.00000
72 0.0741 0.00000
73 0.0443 0.00000
74 -0.0013 0.00000
75 -0.0429 0.00000
76 0.0306 0.00000
77 -0.0140 0.00000
78 -0.0383 0.00000
79 -0.0569 0.00000
80 0.0212 0.00000
81 -0.1115 0.00000
82 0.1487 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1169 0.00000
89 0.0789 0.00000
90 -0.0844 0.00000
91 -0.0960 0.00000
92 -0.0938 0.00000
93 0.0541 0.00000
94 0.0115 0.00000
95 0.0781 0.00000
96 0.0504 0.00000
97 -0.0461 0.00000
98 -0.4314 0.00000
99 0.1242 0.00000
100 -0.3779 0.00000
101 -0.1350 0.00000
102 0.7579 0.00000
103 -0.2354 0.00000
104 0.1598 0.00000
105 0.0829 0.00000
106 0.0597 0.00000
107 -0.0441 0.00000
108 0.3424 0.00000
109 0.0980 0.00000
110 0.1301 0.00000
111 0.2093 0.00000
112 0.1230 0.00000
113 0.1564 0.00000
114 -0.0203 0.00000
115 -0.2599 0.00000
116 -0.0473 0.00000
117 -0.1731 0.00000
118 0.0880 0.00000
119 0.0597 0.00000
120 0.1000 0.00000
121 0.6677 0.00000
122 -0.1222 0.00000
123 0.3909 0.00000
124 0.0489 0.00000
125 -0.1063 0.00000
126 -0.3683 0.00000
127 -0.0226 0.00000
128 -0.1531 0.00000
129 0.0646 0.00000
130 0.0228 0.00000
131 0.0904 0.00000
132 0.0428 0.00000
133 0.0400 0.00000
134 -0.1958 0.00000
135 0.0623 0.00000
136 -0.1249 0.00000
137 -0.0283 0.00000
138 -0.3972 0.00000
139 0.0963 0.00000
140 0.0512 0.00000
141 -0.1060 0.00000
142 -0.0086 0.00000
143 0.0698 0.00000
144 0.0749 0.00000
145 0.0564 0.00000
146 0.0006 0.00000
147 -0.0132 0.00000
148 0.1187 0.00000
149 0.1365 0.00000
150 0.1805 0.00000
151 0.0965 0.00000
152 -0.0099 0.00000
153 -0.0017 0.00000
154 0.1404 0.00000
155 -0.0250 0.00000
156 -0.1507 0.00000
157 0.0079 0.00000
158 -0.1272 0.00000
159 -0.0541 0.00000
160 0.0046 0.00000
161 -0.0775 0.00000
162 0.0363 0.00000
163 -0.2619 0.00000
164 -0.1169 0.00000
165 0.1071 0.00000
166 -0.1301 0.00000
167 -0.6319 0.00000
168 0.0314 0.00000
169 0.0724 0.00000
170 -0.0122 0.00000
171 -0.0146 0.00000
172 -0.4221 0.00000
173 0.1059 0.00000
174 -0.0613 0.00000
175 -0.2138 0.00000
176 0.0792 0.00000
177 -0.0174 0.00000
178 0.0293 0.00000
179 -0.0709 0.00000
180 0.0244 0.00000
181 0.0179 0.00000
182 -0.2232 0.00000
183 -0.0171 0.00000
184 0.0636 0.00000
185 -0.0813 0.00000
186 0.0113 0.00000
187 -0.0181 0.00000
188 -0.0196 0.00000
189 0.0264 0.00000
190 -0.0253 0.00000
191 0.1262 0.00000
192 -0.0383 0.00000
193 0.0153 0.00000
194 0.0060 0.00000
195 0.0573 0.00000
196 0.1836 0.00000
197 0.1467 0.00000
198 -0.0206 0.00000
199 -0.0597 0.00000
200 0.0402 0.00000
201 0.0057 0.00000
202 0.0129 0.00000
203 0.0067 0.00000
204 0.0004 0.00000
205 0.0636 0.00000
206 0.0145 0.00000
207 0.0750 0.00000
208 0.0225 0.00000
209 0.0400 0.00000
210 -0.2505 0.00000
211 -0.0405 0.00000
212 0.0031 0.00000
213 0.0197 0.00000
214 0.0803 0.00000
215 0.0255 0.00000
216 0.0994 0.00000
217 0.0313 0.00000
218 0.0105 0.00000
219 0.0586 0.00000
220 -0.0009 0.00000
221 -0.7423 0.00000
222 -0.1404 0.00000
223 -0.1160 0.00000
224 -0.0030 0.00000
225 -0.0013 0.00000
226 -0.0067 0.00000
227 -0.0410 0.00000
228 0.0639 0.00000
229 0.1411 0.00000
230 0.0015 0.00000
231 -0.0897 0.00000
232 -0.0517 0.00000
233 -0.0523 0.00000
234 -0.0039 0.00000
235 -0.0486 0.00000
236 0.0150 0.00000
237 -0.0287 0.00000
238 -0.0264 0.00000
239 -0.0025 0.00000
240 -0.0912 0.00000
241 0.0107 0.00000
242 -0.0924 0.00000
243 -0.0364 0.00000
244 -0.0334 0.00000
245 0.0008 0.00000
246 0.0338 0.00000
247 0.0264 0.00000
248 0.0202 0.00000
249 -0.0241 0.00000
250 0.0648 0.00000
251 0.0028 0.00000
252 0.0302 0.00000
253 0.1185 0.00000
254 0.0128 0.00000
255 -0.0777 0.00000
256 0.1213 0.00000
257 -0.0236 0.00000
258 0.3199 0.00000
259 0.0219 0.00000
260 0.1339 0.00000
261 0.0171 0.00000
262 0.0107 0.00000
263 0.0149 0.00000
264 0.0649 0.00000
265 -0.0187 0.00000
266 -0.0477 0.00000
267 0.0116 0.00000
268 -0.0196 0.00000
269 0.0106 0.00000
270 0.0054 0.00000
271 -0.0630 0.00000
272 -0.0722 0.00000
273 0.0107 0.00000
274 -0.1329 0.00000
275 -0.0016 0.00000
276 -0.0032 0.00000
277 -0.0146 0.00000
278 -0.0539 0.00000
279 -0.0093 0.00000
280 0.0473 0.00000
281 -0.0154 0.00000
282 -0.0086 0.00000
283 -0.0492 0.00000
284 0.0069 0.00000
285 0.0271 0.00000
286 0.0417 0.00000
287 -0.0392 0.00000
288 -0.0248 0.00000
289 0.0756 0.00000
290 -0.0199 0.00000
291 -0.0190 0.00000
292 -0.0040 0.00000
293 0.0354 0.00000
294 0.0068 0.00000
295 -0.0028 0.00000
296 0.0697 0.00000
297 0.0529 0.00000
298 -0.1525 0.00000
299 0.0793 0.00000
300 -0.0578 0.00000
301 -0.0204 0.00000
302 -0.0051 0.00000
303 -0.1201 0.00000
304 -0.1261 0.00000
305 0.0297 0.00000
306 0.0323 0.00000
307 0.1744 0.00000
308 -0.0326 0.00000
309 0.0253 0.00000
310 -0.1337 0.00000
311 0.0187 0.00000
312 -0.0416 0.00000
313 0.0073 0.00000
314 -0.0423 0.00000
315 -0.0888 0.00000
316 -0.1724 0.00000
317 -0.0329 0.00000
318 0.0448 0.00000
319 -0.0254 0.00000
320 0.0811 0.00000
321 0.0631 0.00000
322 0.0125 0.00000
323 -0.0496 0.00000
324 -0.0059 0.00000
325 -0.0713 0.00000
326 0.0398 0.00000
327 -0.0023 0.00000
328 -0.0534 0.00000
329 0.0021 0.00000
330 -0.0896 0.00000
331 -0.0316 0.00000
332 -0.0150 0.00000
333 -0.0282 0.00000
334 -0.0021 0.00000
335 0.0408 0.00000
336 -0.2141 0.00000
337 -0.0361 0.00000
338 -0.1197 0.00000
339 -0.0310 0.00000
340 -0.0810 0.00000
341 0.0089 0.00000
342 -0.0134 0.00000
343 0.0276 0.00000
344 0.0400 0.00000
345 0.0094 0.00000
346 -0.0232 0.00000
347 -0.0210 0.00000
348 0.0018 0.00000
349 -0.0112 0.00000
350 -0.0108 0.00000
351 0.0699 0.00000
352 -0.0044 0.00000
353 0.0566 0.00000
354 -0.0278 0.00000
355 0.0592 0.00000
356 0.0456 0.00000
357 0.0257 0.00000
358 -0.0243 0.00000
359 0.0631 0.00000
360 0.0217 0.00000
361 -0.0670 0.00000
362 0.0014 0.00000
363 -0.0136 0.00000
364 0.1011 0.00000
365 -0.0139 0.00000
366 0.0748 0.00000
367 -0.0984 0.00000
368 0.0225 0.00000
369 -0.0469 0.00000
370 0.0865 0.00000
371 -0.2647 0.00000
372 -0.0409 0.00000
373 0.0267 0.00000
374 0.0424 0.00000
375 0.1003 0.00000
376 0.0469 0.00000
377 -0.0526 0.00000
378 -0.0239 0.00000
379 0.0012 0.00000
380 -0.0176 0.00000
381 0.0205 0.00000
382 -0.0459 0.00000
383 -0.0883 0.00000
384 0.1374 0.00000
385 -0.0296 0.00000
386 0.1129 0.00000
387 0.0155 0.00000
388 -0.1607 0.00000
389 -0.0128 0.00000
390 -0.0821 0.00000
391 0.0361 0.00000
392 0.1043 0.00000
393 -0.0723 0.00000
394 -0.0201 0.00000
395 0.0195 0.00000
396 0.0484 0.00000
397 0.0065 0.00000
398 0.0085 0.00000
399 0.0438 0.00000
400 -0.0363 0.00000
401 0.1021 0.00000
402 -0.0490 0.00000
403 0.0037 0.00000
404 0.0053 0.00000
405 -0.0137 0.00000
406 0.0425 0.00000
407 0.0127 0.00000
408 -0.1502 0.00000
409 0.0060 0.00000
410 -0.0353 0.00000
411 -0.0253 0.00000
412 0.0262 0.00000
413 0.0795 0.00000
414 0.0942 0.00000
415 0.0597 0.00000
416 -0.1120 0.00000
417 -0.0523 0.00000
418 0.0498 0.00000
419 -0.0196 0.00000
420 0.0819 0.00000
421 0.0375 0.00000
422 -0.0077 0.00000
423 -0.0090 0.00000
424 -0.0000 0.00000
425 -0.0093 0.00000
426 -0.0061 0.00000
427 -0.0160 0.00000
428 0.0620 0.00000
429 -0.0062 0.00000
430 0.0005 0.00000
431 -0.0083 0.00000
432 0.0193 0.00000
433 0.0153 0.00000
434 -0.0233 0.00000
435 0.0891 0.00000
436 0.0094 0.00000
437 -0.1157 0.00000
438 -0.0030 0.00000
439 -0.0297 0.00000
440 -0.0064 0.00000
441 -0.0219 0.00000
442 -0.0174 0.00000
443 -0.0091 0.00000
444 -0.0879 0.00000
445 0.0812 0.00000
446 -0.1587 0.00000
447 -0.0484 0.00000
448 -0.0169 0.00000
449 0.0812 0.00000
450 -0.1556 0.00000
451 -0.0364 0.00000
452 0.0143 0.00000
453 -0.0070 0.00000
454 -0.0264 0.00000
455 0.0450 0.00000
456 -0.1093 0.00000
457 0.0031 0.00000
458 0.0250 0.00000
459 0.0715 0.00000
460 -0.0874 0.00000
461 0.0860 0.00000
462 -0.0547 0.00000
463 0.0068 0.00000
464 -0.0125 0.00000
465 -0.0680 0.00000
466 0.0209 0.00000
467 0.0316 0.00000
468 0.0051 0.00000
469 -0.2237 0.00000
470 -0.0589 0.00000
471 -0.0851 0.00000
472 0.0181 0.00000
473 -0.0729 0.00000
474 -0.0251 0.00000
475 -0.0587 0.00000
476 -0.2768 0.00000
477 -0.0052 0.00000
478 -0.0528 0.00000
479 -0.0157 0.00000
480 -0.0853 0.00000
481 -0.1804 0.00000
482 0.0534 0.00000
483 -0.0027 0.00000
484 0.0136 0.00000
485 -0.0177 0.00000
486 -0.1941 0.00000
487 -0.0329 0.00000
488 -0.1167 0.00000
489 -0.0283 0.00000
490 0.0264 0.00000
491 0.0150 0.00000
492 0.0187 0.00000
493 0.0124 0.00000
494 0.0099 0.00000
495 -0.0370 0.00000
496 -0.0839 0.00000
497 -0.0007 0.00000
498 0.0069 0.00000
499 -0.0186 0.00000
500 0.0072 0.00000
501 0.0071 0.00000
502 -0.0109 0.00000
503 -0.0037 0.00000
504 0.0213 0.00000
505 0.0479 0.00000
506 0.0190 0.00000
507 0.0018 0.00000
508 -0.0300 0.00000
509 -0.0377 0.00000
510 -0.1092 0.00000
511 0.0172 0.00000
512 0.0192 0.00000
513 0.0001 0.00000
514 0.0607 0.00000
515 -0.0116 0.00000
516 -0.0400 0.00000
517 0.0246 0.00000
518 -0.0024 0.00000
519 0.0356 0.00000
520 0.0451 0.00000
521 0.0813 0.00000
522 -0.0334 0.00000
523 0.0032 0.00000
524 0.0485 0.00000
525 0.0178 0.00000
526 0.0634 0.00000
527 0.0794 0.00000
528 0.0115 0.00000
529 -0.0113 0.00000
530 0.0698 0.00000
531 -0.0124 0.00000
532 -0.0052 0.00000
533 0.0399 0.00000
534 -0.0027 0.00000
535 -0.0422 0.00000
536 -0.0088 0.00000
537 -0.0276 0.00000
538 0.0375 0.00000
539 0.1499 0.00000
540 -0.1068 0.00000
541 0.1129 0.00000
542 0.0238 0.00000
543 -0.0029 0.00000
544 0.0776 0.00000
545 0.0723 0.00000
546 0.0539 0.00000
547 0.1049 0.00000
548 -0.0015 0.00000
549 0.0475 0.00000
550 0.0449 0.00000
551 0.0189 0.00000
552 0.0288 0.00000
553 -0.0058 0.00000
554 0.0950 0.00000
555 -0.0038 0.00000
556 0.0724 0.00000
557 0.0304 0.00000
558 -0.0020 0.00000
559 0.0101 0.00000
560 0.0471 0.00000
561 -0.0501 0.00000
562 -0.0053 0.00000
563 -0.0212 0.00000
564 0.0105 0.00000
565 0.2783 0.00000
566 -0.1292 0.00000
567 -0.0079 0.00000
568 0.0529 0.00000
569 -0.0183 0.00000
570 -0.0238 0.00000
571 0.0181 0.00000
572 0.0229 0.00000
573 0.0041 0.00000
574 -0.0106 0.00000
575 0.0474 0.00000
576 0.0079 0.00000
577 -0.0763 0.00000
578 -0.0500 0.00000
579 0.0517 0.00000
580 0.0088 0.00000
581 0.0434 0.00000
582 -0.3643 0.00000
583 0.0591 0.00000
584 -0.2515 0.00000
585 0.0153 0.00000
586 0.0263 0.00000
587 0.1366 0.00000
588 0.0315 0.00000
589 -0.0382 0.00000
590 0.0105 0.00000
591 0.0135 0.00000
592 -0.0062 0.00000
593 -0.0152 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0178 0.00000
597 -0.0152 0.00000
598 0.0057 0.00000
599 0.0480 0.00000
600 0.0636 0.00000
601 0.0708 0.00000
602 0.0448 0.00000
603 0.0759 0.00000
604 0.0303 0.00000
605 0.0400 0.00000
606 -0.0850 0.00000
607 0.0127 0.00000
608 -0.0331 0.00000
609 0.0369 0.00000
610 -0.0070 0.00000
611 -0.0041 0.00000
612 0.0246 0.00000
613 0.0428 0.00000
614 -0.0611 0.00000
615 0.0346 0.00000
616 0.0849 0.00000
617 0.0777 0.00000
618 0.0670 0.00000
619 -0.0387 0.00000
620 -0.0196 0.00000
621 -0.0061 0.00000
622 0.0077 0.00000
623 0.0826 0.00000
624 -0.0249 0.00000
625 0.0791 0.00000
626 0.0615 0.00000
627 0.1308 0.00000
628 -0.0444 0.00000
629 0.0485 0.00000
630 0.0368 0.00000
631 -0.0214 0.00000
632 0.0940 0.00000
633 0.0260 0.00000
634 -0.0238 0.00000
635 -0.0024 0.00000
636 0.1959 0.00000
637 0.0332 0.00000
638 0.0105 0.00000
639 -0.0695 0.00000
640 -0.0019 0.00000
641 0.1123 0.00000
642 0.0382 0.00000
643 0.0207 0.00000
644 0.0151 0.00000
645 0.0674 0.00000
646 0.0461 0.00000
647 0.0969 0.00000
648 0.0931 0.00000
649 -0.0119 0.00000
650 -0.0246 0.00000
651 0.0250 0.00000
652 0.0305 0.00000
653 0.0710 0.00000
654 0.0397 0.00000
655 0.2557 0.00000
656 -0.0031 0.00000
657 0.0190 0.00000
658 0.0397 0.00000
659 0.0028 0.00000
660 0.0427 0.00000
661 0.0619 0.00000
662 0.0342 0.00000
663 -0.0188 0.00000
664 -0.0134 0.00000
665 -0.0332 0.00000
666 0.0875 0.00000
667 0.0547 0.00000
668 0.0623 0.00000
669 0.0581 0.00000
670 0.0106 0.00000
671 -0.0004 0.00000
672 -0.0037 0.00000
673 0.0193 0.00000
674 0.0202 0.00000
675 0.0434 0.00000
676 -0.0239 0.00000
677 -0.0154 0.00000
678 0.0291 0.00000
679 -0.0337 0.00000
680 0.0449 0.00000
681 0.0284 0.00000
682 0.0596 0.00000
683 0.0019 0.00000
684 -0.0022 0.00000
685 0.0297 0.00000
686 -0.0322 0.00000
687 -0.0203 0.00000
688 -0.0156 0.00000
689 -0.1165 0.00000
690 0.0241 0.00000
691 0.0150 0.00000
692 -0.0096 0.00000
693 0.0302 0.00000
694 0.0378 0.00000
695 0.0562 0.00000
696 -0.0147 0.00000
697 0.0547 0.00000
698 -0.0438 0.00000
699 0.1188 0.00000
700 0.0232 0.00000
701 -0.0330 0.00000
702 0.0004 0.00000
703 -0.0648 0.00000
704 0.0016 0.00000
705 0.0326 0.00000
706 0.0450 0.00000
707 -0.0471 0.00000
708 0.0227 0.00000
709 -0.0281 0.00000
710 -0.0471 0.00000
711 0.0526 0.00000
712 0.0377 0.00000
713 0.0599 0.00000
714 0.0179 0.00000
715 0.0156 0.00000
716 0.0119 0.00000
717 -0.0172 0.00000
718 -0.0427 0.00000
719 0.0328 0.00000
720 0.0285 0.00000
721 0.0075 0.00000
722 0.1065 0.00000
723 0.0059 0.00000
724 0.0128 0.00000
725 -0.0206 0.00000
726 0.0437 0.00000
727 0.0250 0.00000
728 0.0419 0.00000
729 0.0313 0.00000
730 0.0382 0.00000
731 0.0168 0.00000
732 0.0344 0.00000
733 0.0165 0.00000
734 0.0817 0.00000
735 -0.0144 0.00000
736 -0.0060 0.00000
737 0.0462 0.00000
738 -0.0593 0.00000
739 -0.0335 0.00000
740 -0.0551 0.00000
741 -0.0206 0.00000
742 0.0090 0.00000
743 0.0034 0.00000
744 0.0386 0.00000
745 -0.0203 0.00000
746 0.0272 0.00000
747 -0.0160 0.00000
748 -0.0168 0.00000
749 -0.0731 0.00000
750 -0.0034 0.00000
751 0.0410 0.00000
752 -0.0040 0.00000
753 -0.0070 0.00000
754 0.0240 0.00000
755 -0.0023 0.00000
756 0.0207 0.00000
757 0.0454 0.00000
758 -0.0130 0.00000
759 0.0540 0.00000
760 0.0006 0.00000
761 -0.0230 0.00000
762 0.0518 0.00000
763 -0.0335 0.00000
764 -0.0187 0.00000
765 -0.0643 0.00000
766 -0.0404 0.00000
767 0.0339 0.00000
768 -0.0445 0.00000
769 -0.0495 0.00000
770 0.0468 0.00000
771 -0.0136 0.00000
772 0.0366 0.00000
773 0.0441 0.00000
774 -0.0509 0.00000
775 -0.0146 0.00000
776 -0.0746 0.00000
777 0.0158 0.00000
778 -0.0216 0.00000
779 -0.0034 0.00000
780 0.0110 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0189 0.00000
5 0.2105 0.00000
6 0.2333 0.00000
7 0.0089 0.00000
8 0.0781 0.00000
9 0.2425 0.00000
10 0.0632 0.00000
11 -0.0179 0.00000
12 -0.0346 0.00000
13 -0.0477 0.00000
14 -0.0441 0.00000
15 -0.3784 0.00000
16 0.0024 0.00000
17 0.0452 0.00000
18 -0.0224 0.00000
19 -0.0211 0.00000
20 -0.0384 0.00000
21 -0.0278 0.00000
22 -0.1745 0.00000
23 0.0824 0.00000
24 -0.2917 0.00000
25 -0.3351 0.00000
26 0.1313 0.00000
27 0.1584 0.00000
28 -0.7130 0.00000
29 -0.0076 0.00000
30 -0.0862 0.00000
31 -0.7247 0.00000
32 -1.0200 0.00000
33 0.1557 0.00000
34 0.2601 0.00000
35 0.1079 0.00000
36 -0.0687 0.00000
37 -0.7104 0.00000
38 0.0220 0.00000
39 -0.1144 0.00000
40 0.2708 0.00000
41 -0.0472 0.00000
42 -0.1054 0.00000
43 0.3958 0.00000
44 -0.1830 0.00000
45 -0.0827 0.00000
46 -0.3667 0.00000
47 -0.0355 0.00000
48 -0.1141 0.00000
49 0.0100 0.00000
50 0.0010 0.00000
51 0.1274 0.00000
52 -0.1666 0.00000
53 0.0723 0.00000
54 0.0399 0.00000
55 -0.0759 0.00000
56 -0.0167 0.00000
57 0.0292 0.00000
58 -0.0956 0.00000
59 0.0234 0.00000
60 -0.3161 0.00000
61 -0.2443 0.00000
62 0.0155 0.00000
63 -0.4157 0.00000
64 -0.0368 0.00000
65 0.1249 0.00000
66 -0.0722 0.00000
67 -0.0987 0.00000
68 0.0538 0.00000
69 0.0303 0.00000
70 0.0330 0.00000
71 0.3014 0.00000
72 0.0744 0.00000
73 0.0487 0.00000
74 -0.0065 0.00000
75 -0.0363 0.00000
76 0.0244 0.00000
77 -0.0127 0.00000
78 -0.0586 0.00000
79 -0.0369 0.00000
80 0.0211 0.00000
81 -0.1116 0.00000
82 0.1484 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0820 0.00000
90 -0.0879 0.00000
91 -0.0993 0.00000
92 -0.0930 0.00000
93 0.0630 0.00000
94 0.0134 0.00000
95 0.0852 0.00000
96 -0.0081 0.00000
97 -0.0196 0.00000
98 -0.1880 0.00000
99 -0.0143 0.00000
100 -0.5510 0.00000
101 -0.0974 0.00000
102 0.7985 0.00000
103 -0.1909 0.00000
104 0.1415 0.00000
105 0.0670 0.00000
106 0.0893 0.00000
107 0.0125 0.00000
108 0.0618 0.00000
109 0.1460 0.00000
110 0.2315 0.00000
111 0.3556 0.00000
112 0.0787 0.00000
113 0.1871 0.00000
114 -0.0909 0.00000
115 -0.2917 0.00000
116 -0.0261 0.00000
117 -0.1710 0.00000
118 0.0593 0.00000
119 0.1148 0.00000
120 0.0516 0.00000
121 0.5481 0.00000
122 0.0636 0.00000
123 0.1464 0.00000
124 0.0879 0.00000
125 0.0442 0.00000
126 -0.4009 0.00000
127 -0.0204 0.00000
128 -0.0453 0.00000
129 0.0696 0.00000
130 -0.1028 0.00000
131 0.1791 0.00000
132 -0.0262 0.00000
133 0.0720 0.00000
134 -0.2070 0.00000
135 0.0658 0.00000
136 -0.1163 0.00000
137 -0.0246 0.00000
138 -0.4064 0.00000
139 0.0774 0.00000
140 0.0645 0.00000
141 -0.1055 0.00000
142 -0.0110 0.00000
143 0.0724 0.00000
144 0.0736 0.00000
145 0.0532 0.00000
146 0.0048 0.00000
147 -0.0140 0.00000
148 0.1259 0.00000
149 0.1290 0.00000
150 0.2086 0.00000
151 0.0958 0.00000
152 0.0195 0.00000
153 -0.0774 0.00000
154 0.1001 0.00000
155 0.0567 0.00000
156 0.0278 0.00000
157 -0.3894 0.00000
158 0.0273 0.00000
159 -0.0820 0.00000
160 0.0857 0.00000
161 0.0125 0.00000
162 -0.0012 0.00000
163 -0.0371 0.00000
164 -0.5778 0.00000
165 -0.1231 0.00000
166 -0.1692 0.00000
167 -0.1408 0.00000
168 -0.1651 0.00000
169 -0.1137 0.00000
170 0.0324 0.00000
171 0.1747 0.00000
172 -0.0381 0.00000
173 -0.0595 0.00000
174 -0.2070 0.00000
175 -0.0466 0.00000
176 -0.0025 0.00000
177 0.0211 0.00000
178 -0.0763 0.00000
179 -0.2241 0.00000
180 0.0484 0.00000
181 0.0527 0.00000
182 0.0002 0.00000
183 0.0101 0.00000
184 -0.0476 0.00000
185 -0.0652 0.00000
186 -0.0227 0.00000
187 0.0246 0.00000
188 -0.0764 0.00000
189 -0.0740 0.00000
190 0.0773 0.00000
191 0.0060 0.00000
192 0.0835 0.00000
193 0.0172 0.00000
194 0.1232 0.00000
195 -0.0936 0.00000
196 0.1769 0.00000
197 0.2179 0.00000
198 -0.0289 0.00000
199 -0.0076 0.00000
200 -0.0601 0.00000
201 0.0291 0.00000
202 -0.0016 0.00000
203 -0.0021 0.00000
204 -0.0025 0.00000
205 -0.0170 0.00000
206 0.1052 0.00000
207 0.0604 0.00000
208 0.0434 0.00000
209 0.0146 0.00000
210 -0.1948 0.00000
211 -0.0616 0.00000
212 0.0306 0.00000
213 -0.0146 0.00000
214 0.0908 0.00000
215 0.0005 0.00000
216 0.1296 0.00000
217 0.0295 0.00000
218 0.1142 0.00000
219 -0.4994 0.00000
220 -0.2930 0.00000
221 -0.1013 0.00000
222 -0.0094 0.00000
223 -0.1678 0.00000
224 -0.0112 0.00000
225 0.0278 0.00000
226 -0.0112 0.00000
227 -0.0408 0.00000
228 0.0524 0.00000
229 0.1393 0.00000
230 0.0104 0.00000
231 -0.0894 0.00000
232 -0.0585 0.00000
233 -0.0450 0.00000
234 -0.0010 0.00000
235 -0.0487 0.00000
236 0.0151 0.00000
237 -0.0225 0.00000
238 -0.0466 0.00000
239 -0.0534 0.00000
240 -0.0057 0.00000
241 -0.0177 0.00000
242 -0.0327 0.00000
243 -0.0804 0.00000
244 -0.0117 0.00000
245 -0.0389 0.00000
246 -0.0138 0.00000
247 0.0389 0.00000
248 0.0293 0.00000
249 0.0254 0.00000
250 0.0521 0.00000
251 0.0374 0.00000
252 -0.0040 0.00000
253 -0.0056 0.00000
254 0.0230 0.00000
255 -0.0083 0.00000
256 0.1729 0.00000
257 0.1897 0.00000
258 0.0357 0.00000
259 0.0378 0.00000
260 0.2003 0.00000
261 -0.0211 0.00000
262 0.0241 0.00000
263 0.0240 0.00000
264 -0.0102 0.00000
265 -0.0264 0.00000
266 -0.0191 0.00000
267 0.0540 0.00000
268 0.0571 0.00000
269 -0.1128 0.00000
270 0.0177 0.00000
271 0.0901 0.00000
272 -0.1959 0.00000
273 0.0549 0.00000
274 -0.1386 0.00000
275 0.0178 0.00000
276 -0.0940 0.00000
277 0.0382 0.00000
278 -0.0135 0.00000
279 -0.0030 0.00000
280 -0.0666 0.00000
281 -0.0133 0.00000
282 -0.0402 0.00000
283 0.0403 0.00000
284 0.0068 0.00000
285 -0.0053 0.00000
286 -0.0177 0.00000
287 0.0378 0.00000
288 0.0325 0.00000
289 -0.0181 0.00000
290 0.0454 0.00000
291 0.0046 0.00000
292 -0.0172 0.00000
293 -0.0343 0.00000
294 0.0880 0.00000
295 -0.0106 0.00000
296 0.0085 0.00000
297 0.0597 0.00000
298 -0.1125 0.00000
299 -0.0306 0.00000
300 0.0744 0.00000
301 -0.0425 0.00000
302 0.0023 0.00000
303 0.0572 0.00000
304 -0.1764 0.00000
305 0.1118 0.00000
306 -0.0021 0.00000
307 0.0328 0.00000
308 -0.1331 0.00000
309 -0.0130 0.00000
310 0.0592 0.00000
311 -0.3173 0.00000
312 0.0199 0.00000
313 -0.0055 0.00000
314 -0.0386 0.00000
315 -0.1260 0.00000
316 0.1363 0.00000
317 0.0531 0.00000
318 0.0260 0.00000
319 -0.0376 0.00000
320 -0.0567 0.00000
321 -0.0489 0.00000
322 -0.0406 0.00000
323 0.0618 0.00000
324 -0.0333 0.00000
325 -0.0524 0.00000
326 0.0151 0.00000
327 0.0141 0.00000
328 -0.0681 0.00000
329 -0.1433 0.00000
330 -0.0067 0.00000
331 -0.0068 0.00000
332 0.0103 0.00000
333 0.0048 0.00000
334 -0.0726 0.00000
335 -0.0197 0.00000
336 -0.0248 0.00000
337 -0.2366 0.00000
338 0.0060 0.00000
339 -0.0129 0.00000
340 -0.0051 0.00000
341 0.0174 0.00000
342 -0.0199 0.00000
343 0.0109 0.00000
344 0.0148 0.00000
345 -0.0237 0.00000
346 0.0004 0.00000
347 0.0079 0.00000
348 0.0912 0.00000
349 -0.0183 0.00000
350 -0.0087 0.00000
351 0.0075 0.00000
352 0.0443 0.00000
353 0.0469 0.00000
354 0.0347 0.00000
355 -0.0598 0.00000
356 -0.0089 0.00000
357 0.0189 0.00000
358 0.0083 0.00000
359 0.0942 0.00000
360 0.0509 0.00000
361 -0.0366 0.00000
362 -0.0069 0.00000
363 -0.0219 0.00000
364 0.0116 0.00000
365 -0.0115 0.00000
366 -0.0383 0.00000
367 0.0628 0.00000
368 0.1088 0.00000
369 0.1472 0.00000
370 0.0086 0.00000
371 0.0732 0.00000
372 -0.2161 0.00000
373 -0.2634 0.00000
374 0.0567 0.00000
375 0.0066 0.00000
376 -0.0219 0.00000
377 -0.0016 0.00000
378 0.0129 0.00000
379 -0.0315 0.00000
380 0.0231 0.00000
381 -0.0293 0.00000
382 -0.0592 0.00000
383 0.0180 0.00000
384 0.0169 0.00000
385 0.0163 0.00000
386 -0.0760 0.00000
387 -0.0202 0.00000
388 0.0242 0.00000
389 0.0400 0.00000
390 -0.1121 0.00000
391 0.0737 0.00000
392 0.0088 0.00000
393 -0.0883 0.00000
394 -0.0178 0.00000
395 -0.0050 0.00000
396 0.0429 0.00000
397 -0.0001 0.00000
398 0.0500 0.00000
399 -0.0165 0.00000
400 0.0282 0.00000
401 0.0213 0.00000
402 0.0060 0.00000
403 -0.0157 0.00000
404 0.0076 0.00000
405 0.0230 0.00000
406 0.0936 0.00000
407 0.0370 0.00000
408 0.0055 0.00000
409 0.0463 0.00000
410 -0.0183 0.00000
411 0.0613 0.00000
412 -0.0421 0.00000
413 -0.0008 0.00000
414 0.0621 0.00000
415 -0.0930 0.00000
416 -0.0528 0.00000
417 0.0152 0.00000
418 0.0236 0.00000
419 0.0182 0.00000
420 0.0008 0.00000
421 -0.0073 0.00000
422 -0.0038 0.00000
423 0.0088 0.00000
424 0.0006 0.00000
425 0.0002 0.00000
426 -0.0206 0.00000
427 0.0030 0.00000
428 0.0242 0.00000
429 -0.0837 0.00000
430 0.0440 0.00000
431 0.0082 0.00000
432 0.0224 0.00000
433 -0.0581 0.00000
434 0.0430 0.00000
435 -0.0053 0.00000
436 -0.0446 0.00000
437 -0.0328 0.00000
438 0.0062 0.00000
439 -0.1368 0.00000
440 0.0689 0.00000
441 -0.0421 0.00000
442 0.0319 0.00000
443 -0.0144 0.00000
444 0.0375 0.00000
445 -0.0261 0.00000
446 -0.0904 0.00000
447 -0.0392 0.00000
448 -0.0286 0.00000
449 0.0337 0.00000
450 -0.0308 0.00000
451 -0.0126 0.00000
452 -0.0103 0.00000
453 0.0189 0.00000
454 -0.0384 0.00000
455 -0.1252 0.00000
456 -0.1376 0.00000
457 0.0193 0.00000
458 0.0191 0.00000
459 0.0764 0.00000
460 -0.0240 0.00000
461 0.0035 0.00000
462 0.0601 0.00000
463 0.0170 0.00000
464 -0.0122 0.00000
465 0.0587 0.00000
466 -0.0355 0.00000
467 -0.0555 0.00000
468 0.0234 0.00000
469 -0.0006 0.00000
470 -0.2659 0.00000
471 0.0363 0.00000
472 -0.2223 0.00000
473 -0.1030 0.00000
474 -0.0890 0.00000
475 -0.1409 0.00000
476 0.0486 0.00000
477 0.0445 0.00000
478 0.0249 0.00000
479 -0.0320 0.00000
480 0.0167 0.00000
481 -0.0467 0.00000
482 -0.0457 0.00000
483 -0.0475 0.00000
484 -0.0476 0.00000
485 0.0361 0.00000
486 -0.0750 0.00000
487 -0.3456 0.00000
488 0.0514 0.00000
489 -0.0653 0.00000
490 0.0473 0.00000
491 -0.0370 0.00000
492 -0.0047 0.00000
493 -0.0279 0.00000
494 -0.0676 0.00000
495 0.0556 0.00000
496 -0.0162 0.00000
497 -0.0867 0.00000
498 -0.0310 0.00000
499 -0.0372 0.00000
500 0.0185 0.00000
501 -0.0096 0.00000
502 0.0092 0.00000
503 -0.0724 0.00000
504 0.0540 0.00000
505 0.0138 0.00000
506 -0.0059 0.00000
507 0.0080 0.00000
508 -0.1047 0.00000
509 0.0165 0.00000
510 -0.0178 0.00000
511 0.0070 0.00000
512 0.0219 0.00000
513 -0.0400 0.00000
514 -0.0502 0.00000
515 0.0230 0.00000
516 -0.0472 0.00000
517 0.0853 0.00000
518 0.1028 0.00000
519 -0.0097 0.00000
520 -0.0639 0.00000
521 0.0141 0.00000
522 0.0005 0.00000
523 0.0188 0.00000
524 0.0437 0.00000
525 0.0162 0.00000
526 -0.0411 0.00000
527 0.0577 0.00000
528 0.0743 0.00000
529 0.0067 0.00000
530 0.2334 0.00000
531 0.0865 0.00000
532 0.0541 0.00000
533 0.0327 0.00000
534 0.0217 0.00000
535 -0.1826 0.00000
536 0.0560 0.00000
537 0.0200 0.00000
538 -0.0041 0.00000
539 0.0231 0.00000
540 -0.0132 0.00000
541 0.0977 0.00000
542 0.0289 0.00000
543 0.0482 0.00000
544 -0.0228 0.00000
545 0.0716 0.00000
546 0.0144 0.00000
547 0.0449 0.00000
548 0.0274 0.00000
549 0.0410 0.00000
550 0.0383 0.00000
551 0.1098 0.00000
552 -0.0329 0.00000
553 0.0212 0.00000
554 0.0504 0.00000
555 0.0605 0.00000
556 0.0193 0.00000
557 0.0337 0.00000
558 0.0617 0.00000
559 0.0444 0.00000
560 -0.0799 0.00000
561 0.0255 0.00000
562 -0.0242 0.00000
563 0.0340 0.00000
564 0.0748 0.00000
565 0.0021 0.00000
566 0.0449 0.00000
567 0.0835 0.00000
568 0.0287 0.00000
569 -0.0594 0.00000
570 0.0112 0.00000
571 0.0077 0.00000
572 0.0450 0.00000
573 -0.1518 0.00000
574 0.0359 0.00000
575 0.0168 0.00000
576 0.0102 0.00000
577 0.0151 0.00000
578 0.0681 0.00000
579 -0.3467 0.00000
580 0.0247 0.00000
581 0.0078 0.00000
582 -0.0081 0.00000
583 0.0380 0.00000
584 -0.2475 0.00000
585 -0.0488 0.00000
586 0.0161 0.00000
587 0.1533 0.00000
588 0.0343 0.00000
589 -0.0378 0.00000
590 0.0096 0.00000
591 0.0135 0.00000
592 -0.0053 0.00000
593 -0.0148 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0179 0.00000
597 -0.0152 0.00000
598 -0.0254 0.00000
599 0.0961 0.00000
600 0.0914 0.00000
601 0.0558 0.00000
602 -0.0073 0.00000
603 0.0746 0.00000
604 -0.0139 0.00000
605 0.0550 0.00000
606 -0.0350 0.00000
607 0.0011 0.00000
608 -0.0458 0.00000
609 0.0541 0.00000
610 -0.0137 0.00000
611 -0.0098 0.00000
612 0.0487 0.00000
613 0.0092 0.00000
614 -0.0229 0.00000
615 0.1500 0.00000
616 -0.0620 0.00000
617 0.0042 0.00000
618 0.0195 0.00000
619 0.0491 0.00000
620 0.0117 0.00000
621 0.0292 0.00000
622 -0.0126 0.00000
623 -0.0327 0.00000
624 0.0528 0.00000
625 0.0219 0.00000
626 0.0775 0.00000
627 0.1121 0.00000
628 0.1249 0.00000
629 0.0236 0.00000
630 0.0279 0.00000
631 0.0929 0.00000
632 -0.0506 0.00000
633 0.0311 0.00000
634 0.0322 0.00000
635 0.0294 0.00000
636 0.1039 0.00000
637 0.0279 0.00000
638 0.1369 0.00000
639 0.0721 0.00000
640 0.0183 0.00000
641 0.0339 0.00000
642 -0.0324 0.00000
643 0.0429 0.00000
644 0.0292 0.00000
645 0.0545 0.00000
646 0.0014 0.00000
647 -0.0009 0.00000
648 0.0763 0.00000
649 0.0436 0.00000
650 0.0347 0.00000
651 0.1164 0.00000
652 0.0025 0.00000
653 0.0183 0.00000
654 0.0393 0.00000
655 -0.0027 0.00000
656 0.0649 0.00000
657 -0.0024 0.00000
658 0.0383 0.00000
659 0.0210 0.00000
660 0.0589 0.00000
661 0.0318 0.00000
662 -0.0046 0.00000
663 -0.0522 0.00000
664 -0.0335 0.00000
665 -0.0145 0.00000
666 0.0452 0.00000
667 0.1308 0.00000
668 -0.0166 0.00000
669 0.0023 0.00000
670 0.0288 0.00000
671 0.0545 0.00000
672 0.0238 0.00000
673 0.0354 0.00000
674 0.0377 0.00000
675 0.0300 0.00000
676 -0.0513 0.00000
677 0.0457 0.00000
678 -0.0074 0.00000
679 0.0278 0.00000
680 0.0913 0.00000
681 0.0207 0.00000
682 -0.0193 0.00000
683 0.0574 0.00000
684 0.0240 0.00000
685 0.0323 0.00000
686 -0.0075 0.00000
687 0.0514 0.00000
688 -0.0201 0.00000
689 -0.0201 0.00000
690 0.0379 0.00000
691 -0.0344 0.00000
692 0.0019 0.00000
693 0.0033 0.00000
694 -0.0188 0.00000
695 0.0239 0.00000
696 -0.0025 0.00000
697 -0.0405 0.00000
698 0.0529 0.00000
699 0.0281 0.00000
700 0.0127 0.00000
701 -0.0385 0.00000
702 0.0367 0.00000
703 0.0150 0.00000
704 -0.0372 0.00000
705 0.0211 0.00000
706 0.0331 0.00000
707 0.0094 0.00000
708 0.0504 0.00000
709 0.0142 0.00000
710 0.0459 0.00000
711 0.0118 0.00000
712 0.0332 0.00000
713 -0.0155 0.00000
714 0.0099 0.00000
715 0.1150 0.00000
716 0.0249 0.00000
717 -0.0164 0.00000
718 -0.0189 0.00000
719 -0.0083 0.00000
720 0.0361 0.00000
721 0.0098 0.00000
722 0.0290 0.00000
723 0.0569 0.00000
724 0.0524 0.00000
725 0.0109 0.00000
726 -0.0127 0.00000
727 -0.0423 0.00000
728 0.0050 0.00000
729 0.0271 0.00000
730 -0.0738 0.00000
731 0.0107 0.00000
732 -0.0243 0.00000
733 -0.0167 0.00000
734 -0.0440 0.00000
735 0.0291 0.00000
736 0.0762 0.00000
737 0.0083 0.00000
738 -0.0266 0.00000
739 0.0231 0.00000
740 -0.0011 0.00000
741 -0.0462 0.00000
742 -0.0224 0.00000
743 0.0327 0.00000
744 -0.0414 0.00000
745 -0.0025 0.00000
746 0.0001 0.00000
747 0.0367 0.00000
748 0.0222 0.00000
749 0.0725 0.00000
750 0.0477 0.00000
751 0.0156 0.00000
752 0.0170 0.00000
753 0.0322 0.00000
754 -0.0063 0.00000
755 0.0209 0.00000
756 0.0873 0.00000
757 0.0159 0.00000
758 0.0226 0.00000
759 -0.0769 0.00000
760 -0.0328 0.00000
761 -0.0016 0.00000
762 0.0226 0.00000
763 -0.0515 0.00000
764 -0.0568 0.00000
765 -0.0122 0.00000
766 0.0345 0.00000
767 -0.0388 0.00000
768 0.0161 0.00000
769 -0.0403 0.00000
770 -0.0517 0.00000
771 -0.0730 0.00000
772 -0.0401 0.00000
773 0.0277 0.00000
774 -0.0300 0.00000
775 0.0099 0.00000
776 -0.0076 0.00000
777 -0.0292 0.00000
778 -0.0174 0.00000
779 -0.0024 0.00000
780 0.0203 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0067 0.00000
2 0.0832 0.00000
3 0.2344 0.00000
4 -0.0167 0.00000
5 0.2081 0.00000
6 0.2337 0.00000
7 0.0087 0.00000
8 0.0782 0.00000
9 0.2424 0.00000
10 0.0630 0.00000
11 -0.0179 0.00000
12 -0.0346 0.00000
13 -0.0476 0.00000
14 -0.0441 0.00000
15 -0.3784 0.00000
16 -0.0097 0.00000
17 0.0223 0.00000
18 0.0158 0.00000
19 -0.0290 0.00000
20 -0.0387 0.00000
21 -0.0283 0.00000
22 -0.1523 0.00000
23 0.0464 0.00000
24 -0.0835 0.00000
25 -0.5968 0.00000
26 0.0456 0.00000
27 0.2186 0.00000
28 -0.4027 0.00000
29 -0.0171 0.00000
30 -0.2272 0.00000
31 -0.8071 0.00000
32 -1.0660 0.00000
33 0.1762 0.00000
34 0.2713 0.00000
35 0.0868 0.00000
36 -0.0809 0.00000
37 -0.4604 0.00000
38 0.0183 0.00000
39 -0.3395 0.00000
40 0.2716 0.00000
41 -0.0422 0.00000
42 -0.1834 0.00000
43 0.3990 0.00000
44 -0.1122 0.00000
45 -0.1328 0.00000
46 0.0427 0.00000
47 -0.3078 0.00000
48 -0.2424 0.00000
49 -0.0496 0.00000
50 0.0411 0.00000
51 0.1400 0.00000
52 -0.0828 0.00000
53 0.0738 0.00000
54 0.0540 0.00000
55 -0.0251 0.00000
56 -0.0571 0.00000
57 0.0293 0.00000
58 -0.1332 0.00000
59 -0.0977 0.00000
60 0.0066 0.00000
61 -0.7955 0.00000
62 -0.0359 0.00000
63 -0.0320 0.00000
64 0.0324 0.00000
65 0.1122 0.00000
66 -0.0621 0.00000
67 -0.1527 0.00000
68 0.0809 0.00000
69 0.0301 0.00000
70 0.0331 0.00000
71 0.3008 0.00000
72 0.0743 0.00000
73 0.0488 0.00000
74 -0.0068 0.00000
75 -0.0385 0.00000
76 0.0268 0.00000
77 -0.0121 0.00000
78 -0.0582 0.00000
79 -0.0381 0.00000
80 0.0210 0.00000
81 -0.1113 0.00000
82 0.1484 0.00000
83 0.0695 0.00000
84 -0.0266 0.00000
85 0.0346 0.00000
86 -0.0117 0.00000
87 0.0072 0.00000
88 -0.1168 0.00000
89 0.0820 0.00000
90 -0.0882 0.00000
91 -0.0986 0.00000
92 -0.0926 0.00000
93 0.0610 0.00000
94 0.0151 0.00000
95 0.0848 0.00000
96 -0.0154 0.00000
97 -0.0161 0.00000
98 -0.3537 0.00000
99 0.0281 0.00000
100 -0.2368 0.00000
101 -0.3256 0.00000
102 0.8689 0.00000
103 -0.2315 0.00000
104 0.1293 0.00000
105 0.0825 0.00000
106 0.1071 0.00000
107 0.0102 0.00000
108 0.1221 0.00000
109 0.1694 0.00000
110 0.2145 0.00000
111 0.1931 0.00000
112 0.1151 0.00000
113 0.2359 0.00000
114 -0.0711 0.00000
115 -0.3093 0.00000
116 -0.0285 0.00000
117 -0.1690 0.00000
118 0.0850 0.00000
119 0.1424 0.00000
120 0.0618 0.00000
121 0.4840 0.00000
122 0.0230 0.00000
123 0.2531 0.00000
124 0.0569 0.00000
125 0.0010 0.00000
126 -0.3610 0.00000
127 -0.0105 0.00000
128 -0.1300 0.00000
129 0.0749 0.00000
130 -0.0762 0.00000
131 0.1891 0.00000
132 -0.0384 0.00000
133 0.0712 0.00000
134 -0.1907 0.00000
135 0.0651 0.00000
136 -0.1117 0.00000
137 -0.0233 0.00000
138 -0.4147 0.00000
139 0.0953 0.00000
140 0.0490 0.00000
141 -0.1052 0.00000
142 -0.0114 0.00000
143 0.0712 0.00000
144 0.0752 0.00000
145 0.0527 0.00000
146 0.0054 0.00000
147 -0.0141 0.00000
148 0.1230 0.00000
149 0.1421 0.00000
150 0.1789 0.00000
151 0.1025 0.00000
152 -0.0112 0.00000
153 -0.0249 0.00000
154 0.1476 0.00000
155 -0.1096 0.00000
156 -0.1020 0.00000
157 -0.0273 0.00000
158 0.0295 0.00000
159 -0.1305 0.00000
160 -0.0954 0.00000
161 0.0197 0.00000
162 0.0430 0.00000
163 -0.2737 0.00000
164 -0.0084 0.00000
165 -0.0563 0.00000
166 -0.5571 0.00000
167 -0.0970 0.00000
168 -0.0964 0.00000
169 0.0613 0.00000
170 -0.0263 0.00000
171 -0.1223 0.00000
172 0.0770 0.00000
173 -0.3248 0.00000
174 0.0001 0.00000
175 -0.0517 0.00000
176 0.0460 0.00000
177 0.1077 0.00000
178 -0.0260 0.00000
179 -0.1313 0.00000
180 0.0664 0.00000
181 -0.2277 0.00000
182 -0.0314 0.00000
183 0.0464 0.00000
184 -0.0805 0.00000
185 0.0363 0.00000
186 -0.0734 0.00000
187 0.0064 0.00000
188 -0.0546 0.00000
189 0.0279 0.00000
190 0.0357 0.00000
191 0.0629 0.00000
192 -0.0264 0.00000
193 0.0211 0.00000
194 0.0035 0.00000
195 0.0532 0.00000
196 0.1442 0.00000
197 0.1426 0.00000
198 0.0129 0.00000
199 -0.0518 0.00000
200 -0.0058 0.00000
201 0.0371 0.00000
202 0.0180 0.00000
203 0.0049 0.00000
204 0.0076 0.00000
205 0.0002 0.00000
206 0.1458 0.00000
207 0.0277 0.00000
208 0.0102 0.00000
209 0.0320 0.00000
210 -0.2205 0.00000
211 -0.0551 0.00000
212 0.0007 0.00000
213 -0.0189 0.00000
214 0.0629 0.00000
215 0.0089 0.00000
216 0.1320 0.00000
217 0.0487 0.00000
218 0.0015 0.00000
219 -0.0075 0.00000
220 -0.8671 0.00000
221 0.0437 0.00000
222 0.0374 0.00000
223 -0.1351 0.00000
224 0.0052 0.00000
225 0.0152 0.00000
226 -0.0139 0.00000
227 -0.0406 0.00000
228 0.0520 0.00000
229 0.1413 0.00000
230 0.0101 0.00000
231 -0.0898 0.00000
232 -0.0561 0.00000
233 -0.0475 0.00000
234 -0.0022 0.00000
235 -0.0506 0.00000
236 0.0235 0.00000
237 -0.0374 0.00000
238 -0.0410 0.00000
239 -0.0525 0.00000
240 -0.0060 0.00000
241 -0.0060 0.00000
242 -0.0433 0.00000
243 -0.0421 0.00000
244 -0.0080 0.00000
245 -0.0730 0.00000
246 0.0108 0.00000
247 0.0139 0.00000
248 0.0211 0.00000
249 0.0021 0.00000
250 0.0794 0.00000
251 -0.0089 0.00000
252 0.0244 0.00000
253 -0.0545 0.00000
254 0.1964 0.00000
255 -0.0130 0.00000
256 0.0657 0.00000
257 0.0350 0.00000
258 0.2232 0.00000
259 0.1678 0.00000
260 -0.0342 0.00000
261 0.0650 0.00000
262 0.0054 0.00000
263 -0.0431 0.00000
264 0.1010 0.00000
265 0.0031 0.00000
266 -0.0302 0.00000
267 0.0230 0.00000
268 0.0335 0.00000
269 -0.0278 0.00000
270 0.0249 0.00000
271 -0.0517 0.00000
272 -0.1603 0.00000
273 0.0781 0.00000
274 -0.0706 0.00000
275 -0.0980 0.00000
276 -0.0581 0.00000
277 -0.0103 0.00000
278 -0.0123 0.00000
279 -0.0392 0.00000
280 -0.0133 0.00000
281 0.0158 0.00000
282 0.0211 0.00000
283 -0.0112 0.00000
284 0.0225 0.00000
285 0.0284 0.00000
286 0.0182 0.00000
287 -0.0169 0.00000
288 -0.0152 0.00000
289 -0.0019 0.00000
290 0.0250 0.00000
291 -0.0519 0.00000
292 -0.0108 0.00000
293 0.1038 0.00000
294 0.0423 0.00000
295 -0.0368 0.00000
296 0.0751 0.00000
297 0.0101 0.00000
298 -0.0697 0.00000
299 -0.0281 0.00000
300 0.0180 0.00000
301 -0.0904 0.00000
302 -0.0400 0.00000
303 0.1366 0.00000
304 -0.1925 0.00000
305 0.0546 0.00000
306 -0.0100 0.00000
307 -0.0039 0.00000
308 -0.0471 0.00000
309 -0.0478 0.00000
310 0.0006 0.00000
311 -0.1426 0.00000
312 -0.0114 0.00000
313 -0.0182 0.00000
314 -0.0591 0.00000
315 -0.0527 0.00000
316 0.0181 0.00000
317 0.1394 0.00000
318 0.0267 0.00000
319 -0.0181 0.00000
320 -0.0488 0.00000
321 -0.0368 0.00000
322 0.0679 0.00000
323 -0.0635 0.00000
324 -0.0286 0.00000
325 -0.0206 0.00000
326 -0.0835 0.00000
327 0.0394 0.00000
328 -0.0043 0.00000
329 -0.0307 0.00000
330 -0.0405 0.00000
331 -0.1040 0.00000
332 -0.0168 0.00000
333 -0.0015 0.00000
334 -0.0332 0.00000
335 -0.1395 0.00000
336 -0.0240 0.00000
337 -0.0678 0.00000
338 -0.1244 0.00000
339 -0.0167 0.00000
340 0.0051 0.00000
341 -0.0421 0.00000
342 -0.0040 0.00000
343 0.0325 0.00000
344 0.0358 0.00000
345 -0.0073 0.00000
346 0.0485 0.00000
347 -0.0254 0.00000
348 0.0064 0.00000
349 -0.0211 0.00000
350 -0.0219 0.00000
351 0.0326 0.00000
352 -0.0025 0.00000
353 0.0588 0.00000
354 0.0605 0.00000
355 0.0184 0.00000
356 -0.0364 0.00000
357 0.0689 0.00000
358 -0.0725 0.00000
359 0.0749 0.00000
360 0.0222 0.00000
361 0.0138 0.00000
362 0.0308 0.00000
363 0.0189 0.00000
364 0.0475 0.00000
365 -0.0164 0.00000
366 0.0225 0.00000
367 0.0404 0.00000
368 0.0118 0.00000
369 0.0230 0.00000
370 0.0018 0.00000
371 0.2107 0.00000
372 -0.4500 0.00000
373 0.0214 0.00000
374 -0.0585 0.00000
375 0.0272 0.00000
376 0.0554 0.00000
377 -0.0016 0.00000
378 -0.0090 0.00000
379 0.0374 0.00000
380 -0.0508 0.00000
381 -0.0395 0.00000
382 0.0052 0.00000
383 0.1028 0.00000
384 -0.2586 0.00000
385 0.0187 0.00000
386 -0.0070 0.00000
387 -0.1157 0.00000
388 -0.0868 0.00000
389 0.1732 0.00000
390 -0.0180 0.00000
391 0.0300 0.00000
392 0.0395 0.00000
393 0.0361 0.00000
394 0.0172 0.00000
395 -0.0619 0.00000
396 -0.0540 0.00000
397 0.0373 0.00000
398 -0.0022 0.00000
399 0.0312 0.00000
400 0.0725 0.00000
401 0.0905 0.00000
402 0.0446 0.00000
403 -0.0584 0.00000
404 0.0226 0.00000
405 -0.0012 0.00000
406 -0.0920 0.00000
407 0.0188 0.00000
408 0.0336 0.00000
409 0.0319 0.00000
410 0.0099 0.00000
411 0.0615 0.00000
412 -0.0341 0.00000
413 0.0393 0.00000
414 0.0460 0.00000
415 -0.1395 0.00000
416 0.0457 0.00000
417 -0.0831 0.00000
418 0.1915 0.00000
419 0.0275 0.00000
420 0.0018 0.00000
421 -0.0318 0.00000
422 0.0406 0.00000
423 -0.0468 0.00000
424 0.0110 0.00000
425 -0.0146 0.00000
426 -0.0361 0.00000
427 0.0185 0.00000
428 -0.1272 0.00000
429 -0.0020 0.00000
430 0.0291 0.00000
431 -0.0246 0.00000
432 0.0434 0.00000
433 -0.0033 0.00000
434 0.0070 0.00000
435 0.0600 0.00000
436 -0.0147 0.00000
437 -0.0575 0.00000
438 -0.0095 0.00000
439 0.0166 0.00000
440 -0.0400 0.00000
441 0.0209 0.00000
442 -0.0781 0.00000
443 -0.0038 0.00000
444 -0.1034 0.00000
445 -0.1137 0.00000
446 -0.0306 0.00000
447 0.0747 0.00000
448 0.0074 0.00000
449 0.0588 0.00000
450 -0.2580 0.00000
451 0.0467 0.00000
452 -0.0107 0.00000
453 -0.0313 0.00000
454 -0.0711 0.00000
455 -0.0159 0.00000
456 0.0386 0.00000
457 0.0783 0.00000
458 -0.1124 0.00000
459 -0.0026 0.00000
460 0.0313 0.00000
461 0.0227 0.00000
462 -0.0203 0.00000
463 0.0138 0.00000
464 -0.0306 0.00000
465 0.0239 0.00000
466 0.0118 0.00000
467 -0.0568 0.00000
468 0.0411 0.00000
469 -0.0834 0.00000
470 -0.0275 0.00000
471 0.0360 0.00000
472 -0.0641 0.00000
473 -0.0142 0.00000
474 -0.0593 0.00000
475 -0.4099 0.00000
476 -0.0061 0.00000
477 -0.1149 0.00000
478 0.0142 0.00000
479 -0.0235 0.00000
480 -0.0324 0.00000
481 0.0158 0.00000
482 -0.0006 0.00000
483 -0.0045 0.00000
484 0.0295 0.00000
485 -0.0677 0.00000
486 -0.0840 0.00000
487 -0.0954 0.00000
488 -0.0128 0.00000
489 -0.0062 0.00000
490 -0.0858 0.00000
491 -0.0126 0.00000
492 -0.1057 0.00000
493 -0.0817 0.00000
494 0.0051 0.00000
495 -0.0293 0.00000
496 -0.0916 0.00000
497 -0.0091 0.00000
498 0.0086 0.00000
499 0.0027 0.00000
500 -0.0041 0.00000
501 0.0662 0.00000
502 -0.0599 0.00000
503 0.0093 0.00000
504 0.0104 0.00000
505 0.0004 0.00000
506 0.0477 0.00000
507 -0.0117 0.00000
508 -0.0044 0.00000
509 -0.0511 0.00000
510 0.0108 0.00000
511 -0.0541 0.00000
512 -0.0136 0.00000
513 0.0013 0.00000
514 -0.0034 0.00000
515 0.0088 0.00000
516 0.0009 0.00000
517 -0.0020 0.00000
518 -0.0201 0.00000
519 -0.0393 0.00000
520 -0.0417 0.00000
521 0.1361 0.00000
522 0.0053 0.00000
523 0.0453 0.00000
524 0.0477 0.00000
525 -0.0022 0.00000
526 0.0882 0.00000
527 0.0064 0.00000
528 -0.0233 0.00000
529 0.0550 0.00000
530 0.0164 0.00000
531 0.1546 0.00000
532 0.0001 0.00000
533 -0.0820 0.00000
534 0.0559 0.00000
535 -0.0031 0.00000
536 -0.0375 0.00000
537 -0.0316 0.00000
538 0.0075 0.00000
539 0.0255 0.00000
540 0.0481 0.00000
541 0.0548 0.00000
542 0.1200 0.00000
543 0.0905 0.00000
544 0.0545 0.00000
545 0.0140 0.00000
546 0.0715 0.00000
547 0.0269 0.00000
548 0.0320 0.00000
549 0.0740 0.00000
550 0.0165 0.00000
551 0.0519 0.00000
552 0.0095 0.00000
553 0.0235 0.00000
554 0.0376 0.00000
555 0.0423 0.00000
556 0.0127 0.00000
557 0.0533 0.00000
558 0.0237 0.00000
559 0.0199 0.00000
560 0.0204 0.00000
561 -0.0526 0.00000
562 0.0305 0.00000
563 -0.0694 0.00000
564 0.1733 0.00000
565 -0.0706 0.00000
566 0.0595 0.00000
567 0.0058 0.00000
568 -0.0374 0.00000
569 0.0866 0.00000
570 0.0002 0.00000
571 0.0144 0.00000
572 0.0264 0.00000
573 -0.0362 0.00000
574 -0.0565 0.00000
575 0.0217 0.00000
576 0.0234 0.00000
577 0.0454 0.00000
578 0.0165 0.00000
579 -0.0775 0.00000
580 -0.1630 0.00000
581 -0.0115 0.00000
582 0.0334 0.00000
583 -0.1286 0.00000
584 -0.2528 0.00000
585 0.0494 0.00000
586 0.0062 0.00000
587 0.1434 0.00000
588 0.0342 0.00000
589 -0.0386 0.00000
590 0.0096 0.00000
591 0.0136 0.00000
592 -0.0050 0.00000
593 -0.0150 0.00000
594 0.0073 0.00000
595 0.0071 0.00000
596 -0.0179 0.00000
597 -0.0152 0.00000
598 -0.0269 0.00000
599 0.1000 0.00000
600 0.0635 0.00000
601 0.1672 0.00000
602 -0.0816 0.00000
603 0.0371 0.00000
604 -0.0176 0.00000
605 -0.0288 0.00000
606 0.1155 0.00000
607 -0.0843 0.00000
608 0.0212 0.00000
609 0.0193 0.00000
610 0.0132 0.00000
611 -0.0401 0.00000
612 0.0155 0.00000
613 0.0391 0.00000
614 -0.0249 0.00000
615 0.0777 0.00000
616 0.0563 0.00000
617 0.0126 0.00000
618 -0.0126 0.00000
619 0.0183 0.00000
620 0.0390 0.00000
621 0.0199 0.00000
622 0.0133 0.00000
623 -0.0365 0.00000
624 0.1482 0.00000
625 0.0777 0.00000
626 0.0316 0.00000
627 0.0251 0.00000
628 0.0526 0.00000
629 0.0122 0.00000
630 0.0400 0.00000
631 0.0216 0.00000
632 0.1942 0.00000
633 -0.0030 0.00000
634 0.0489 0.00000
635 0.0044 0.00000
636 0.0782 0.00000
637 0.0333 0.00000
638 -0.0041 0.00000
639 -0.0325 0.00000
640 0.0127 0.00000
641 0.0007 0.00000
642 0.1412 0.00000
643 0.0764 0.00000
644 0.0069 0.00000
645 -0.0210 0.00000
646 0.0341 0.00000
647 0.0640 0.00000
648 0.0269 0.00000
649 -0.0081 0.00000
650 0.1276 0.00000
651 -0.0105 0.00000
652 0.0187 0.00000
653 0.0067 0.00000
654 0.0716 0.00000
655 0.0370 0.00000
656 0.0271 0.00000
657 0.1012 0.00000
658 0.0083 0.00000
659 0.0442 0.00000
660 0.0230 0.00000
661 0.0170 0.00000
662 0.0448 0.00000
663 0.0828 0.00000
664 0.0421 0.00000
665 0.0110 0.00000
666 0.0139 0.00000
667 0.0961 0.00000
668 -0.0094 0.00000
669 0.0195 0.00000
670 0.0371 0.00000
671 -0.0041 0.00000
672 0.0794 0.00000
673 0.0267 0.00000
674 -0.0027 0.00000
675 -0.0016 0.00000
676 -0.0406 0.00000
677 0.0389 0.00000
678 0.0123 0.00000
679 -0.0200 0.00000
680 0.0139 0.00000
681 0.0609 0.00000
682 -0.0171 0.00000
683 0.0258 0.00000
684 -0.0169 0.00000
685 0.0319 0.00000
686 0.0086 0.00000
687 0.0306 0.00000
688 -0.0325 0.00000
689 0.0159 0.00000
690 -0.0067 0.00000
691 0.0340 0.00000
692 -0.0274 0.00000
693 -0.0184 0.00000
694 0.0257 0.00000
695 -0.0457 0.00000
696 -0.0170 0.00000
697 0.0965 0.00000
698 0.0146 0.00000
699 0.0086 0.00000
700 0.0090 0.00000
701 0.0071 0.00000
702 0.0040 0.00000
703 -0.0292 0.00000
704 0.0092 0.00000
705 0.0088 0.00000
706 -0.0034 0.00000
707 0.0568 0.00000
708 0.0620 0.00000
709 -0.0002 0.00000
710 -0.0496 0.00000
711 -0.0058 0.00000
712 0.0064 0.00000
713 -0.0491 0.00000
714 0.0244 0.00000
715 0.0072 0.00000
716 0.0178 0.00000
717 0.0285 0.00000
718 0.0848 0.00000
719 0.0026 0.00000
720 0.0802 0.00000
721 0.0386 0.00000
722 -0.0022 0.00000
723 0.0274 0.00000
724 0.0214 0.00000
725 0.0112 0.00000
726 -0.0312 0.00000
727 0.0607 0.00000
728 0.0624 0.00000
729 -0.0071 0.00000
730 -0.0298 0.00000
731 -0.0328 0.00000
732 -0.0582 0.00000
733 0.0142 0.00000
734 -0.0007 0.00000
735 0.0370 0.00000
736 0.0702 0.00000
737 0.0212 0.00000
738 0.0045 0.00000
739 0.0298 0.00000
740 0.0093 0.00000
741 -0.0550 0.00000
742 -0.0328 0.00000
743 0.0089 0.00000
744 0.0135 0.00000
745 0.0265 0.00000
746 0.0352 0.00000
747 0.0330 0.00000
748 -0.0552 0.00000
749 0.0489 0.00000
750 -0.0033 0.00000
751 0.0244 0.00000
752 -0.0003 0.00000
753 0.0030 0.00000
754 -0.0285 0.00000
755 -0.0461 0.00000
756 0.0461 0.00000
757 -0.0299 0.00000
758 0.0241 0.00000
759 -0.0465 0.00000
760 0.0199 0.00000
761 0.0175 0.00000
762 0.0297 0.00000
763 0.0126 0.00000
764 0.0561 0.00000
765 -0.0850 0.00000
766 -0.0193 0.00000
767 -0.0244 0.00000
768 0.0244 0.00000
769 -0.0034 0.00000
770 0.0325 0.00000
771 0.0195 0.00000
772 -0.0289 0.00000
773 -0.0107 0.00000
774 0.0187 0.00000
775 0.0269 0.00000
776 -0.0972 0.00000
777 -0.0231 0.00000
778 0.0012 0.00000
779 0.0419 0.00000
780 -0.0775 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 5 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
25.82462-12.37422 -5.49014
-12.37391 -3.22189 1.35464
-5.49044 1.35447 -2.13230
POSITION FORCE-CONSTANT FOR ION 5 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.062638 -0.020253 -0.010434
4.30302 2.15352 7.05746 4.632355 -1.276701 -1.781500
1.30883 4.06731 2.03161 -0.443005 -0.054477 -0.083242
3.96992 4.32885 4.13194 -0.198151 0.722893 -0.607879
1.29275 3.05683 8.10201 -31.531988 3.549920 1.836919
3.79636 1.47547 14.70421 -0.034710 0.013739 0.035134
1.24643 4.63551 10.86193 -0.324131 -0.569261 -0.555939
3.89005 4.20092 12.88287 -0.235758 0.106839 -0.006476
1.04482 6.69020 17.44020 -0.051686 0.013539 -0.034933
3.77370 7.04599 6.61024 -0.226912 0.304822 0.064521
0.71312 9.21049 2.53845 -0.085081 -0.014702 0.013463
3.86880 9.70388 4.59023 -0.041995 0.096141 -0.075737
1.19399 7.29663 8.75952 -0.404803 -0.274660 0.108712
4.14925 6.52609 15.71477 -0.049616 0.004895 -0.021088
1.16791 10.19708 10.50563 -0.055939 -0.052589 -0.045609
3.90202 11.30466 11.97145 -0.074105 -0.001042 -0.000364
1.41963 13.48240 16.88000 -0.051072 0.014524 0.012428
3.89470 12.50036 6.39588 -0.083843 -0.043842 0.053249
1.24092 15.65995 2.03746 -0.228336 0.016530 0.069742
3.45676 13.88732 3.60018 -0.087010 -0.011750 -0.068459
1.37686 12.90671 8.69683 -0.149962 0.025160 0.020677
4.20896 12.98001 14.89140 -0.043671 -0.018388 0.015565
1.28271 15.54574 11.35729 -0.091450 0.074883 -0.080750
4.02704 16.14416 13.12883 -0.147690 -0.066791 0.056618
8.51844 2.13686 0.32759 0.088564 -0.019240 -0.026264
10.42520 1.68659 6.72748 0.385756 -0.090977 0.044528
6.89192 4.41938 2.41726 0.244596 0.034560 -0.179467
10.22536 4.35381 4.16682 0.176510 0.005785 -0.040441
7.19238 2.15284 8.75827 0.941036 -0.063860 0.511794
10.67141 2.29852 15.08728 0.089874 0.006079 0.015125
7.24075 4.59797 11.01224 0.127968 0.188311 0.287970
10.30176 4.56419 12.61212 0.179542 0.003126 -0.004145
6.40057 6.85176 0.36515 -0.019029 0.061524 -0.082980
9.75325 6.62606 6.90745 0.118984 0.005784 -0.012971
6.24007 9.67823 1.67645 0.020596 0.024414 -0.017724
6.65558 7.06042 8.79421 0.148644 0.155307 0.092727
11.80692 6.94639 14.05727 0.056246 -0.001650 0.005689
6.39955 9.97659 10.34026 -0.014211 0.065848 0.074662
11.03265 10.16848 13.84914 0.038973 -0.004656 -0.006399
6.77345 12.10505 16.99256 0.027341 -0.001505 -0.020852
10.32223 13.09442 6.99099 0.115208 0.006947 0.011771
10.59365 15.96480 4.77521 0.119324 -0.019423 -0.036514
6.94250 12.79247 7.88185 0.058783 -0.054060 -0.020743
10.18654 12.31147 16.08279 0.062359 -0.005521 0.008448
7.13888 17.01345 11.20310 0.044821 -0.060859 0.200293
10.37682 0.23169 12.64835 0.151627 -0.020592 -0.015887
13.24904 1.54346 17.14370 0.059822 -0.005089 0.041880
15.89410 1.64185 6.44545 1.792356 0.348627 0.957979
12.98857 4.28042 2.14546 0.159726 0.013701 0.058066
15.96785 4.32998 4.48967 -0.044398 -0.474867 0.579607
13.27097 1.52537 8.57426 0.713915 0.064649 -0.291251
16.03461 1.53130 15.21659 -0.007829 0.041805 -0.068575
13.37701 3.97590 10.80799 0.203511 -0.097003 -0.170297
16.23421 4.17555 13.11475 0.052723 -0.028205 -0.211550
13.12188 6.75851 16.83328 0.036740 -0.022468 0.019098
16.15350 6.82329 6.57280 0.015940 -0.314280 0.066383
13.80451 11.28726 3.11364 0.044480 0.006752 0.016715
16.01530 9.31599 4.57229 -0.039846 -0.075338 0.101519
16.24774 6.95131 14.97400 -0.026490 -0.051844 -0.064367
13.37358 11.10317 11.33384 0.024222 0.000403 -0.027817
16.26481 10.28310 12.82929 0.000783 -0.014212 -0.003554
13.02958 12.87265 0.34345 0.038535 0.032990 0.030879
15.63587 13.81058 6.90598 0.039937 0.117318 -0.101404
13.11026 15.86276 1.91698 0.113633 -0.010362 0.047369
16.04847 15.98249 4.25314 -0.065713 0.422867 0.177765
12.92950 13.50280 9.01948 0.101783 0.041948 -0.012599
16.03470 13.24150 15.21399 -0.015996 0.017517 -0.024675
13.00717 16.52927 10.76204 0.153921 0.115134 -0.155469
15.92967 15.85673 13.13419 -0.021278 0.044800 -0.029498
1.86054 17.36365 1.29865 0.043190 -0.003447 -0.008149
4.17830 2.73136 5.21241 -0.457069 -0.072832 0.695290
3.26426 5.75851 5.24301 0.143791 -0.210758 0.006073
17.49829 1.67854 7.58538 4.910460 2.534184 0.422114
1.16532 17.05709 10.27678 -0.010646 -0.070543 0.087731
3.43296 5.28736 14.40974 0.043327 0.002957 0.024664
5.78979 4.58179 12.35127 0.027893 -0.031028 -0.040583
2.66622 1.96025 16.18884 0.028397 0.001060 -0.013600
17.32027 0.89679 16.51550 0.028200 -0.000406 0.020467
0.46199 8.18893 0.93413 0.020885 -0.002490 -0.002547
5.39231 10.11127 3.40660 0.009790 -0.011969 0.012580
2.32066 9.80687 3.44943 0.036928 -0.001724 0.017799
4.91964 7.92130 14.71679 0.010209 -0.000515 0.000383
2.68710 7.23238 16.69438 0.026134 0.000313 -0.001745
0.01020 10.88204 2.02154 0.021655 0.002732 0.001250
4.21835 0.28129 6.98759 -0.594782 0.359368 0.318515
17.23783 13.81793 8.03064 0.055296 -0.029271 0.015299
4.79582 14.66186 14.12172 0.025547 0.027045 -0.017796
1.82404 14.00413 10.26937 0.025472 -0.019853 0.010605
5.26768 16.92854 11.79676 0.046014 0.040586 -0.075098
10.96027 2.96124 5.34122 -0.069485 0.021911 0.012620
6.97457 3.04582 1.08259 -0.040144 0.020107 0.040179
10.16898 6.05361 5.08582 -0.036883 0.001877 -0.002426
8.34039 4.05066 3.68939 -0.083129 0.000278 0.003130
8.74489 2.42632 7.55292 -0.239003 0.027252 0.014411
7.18775 0.35634 9.46384 -0.099452 0.077740 -0.118031
11.47395 4.04892 11.19556 -0.082256 0.020023 0.036580
9.15080 2.77757 16.12393 -0.026342 0.005977 0.014112
7.98734 0.36277 0.04247 -0.010737 0.007132 0.003732
8.09306 7.37877 7.53063 -0.063251 -0.018732 0.011536
5.20414 6.37683 7.73407 -0.029088 -0.113465 -0.052477
12.25313 11.32613 12.87115 -0.010311 -0.005831 0.009292
7.88582 9.71337 11.41294 -0.002403 -0.007996 -0.018559
7.90588 7.26091 16.85699 0.001672 -0.008789 0.013403
11.07224 14.64349 6.08452 -0.023740 0.011075 0.004629
9.97410 0.03402 5.82220 -0.062174 0.034562 0.029835
11.77786 16.49122 3.26041 -0.044782 0.014721 0.028518
6.65717 11.67689 9.40508 0.001460 0.016567 -0.011839
7.76961 15.24886 11.07941 -0.008668 0.021040 -0.048199
8.52712 0.41686 12.29829 -0.039993 0.016811 -0.041365
13.11181 17.12784 0.26607 -0.019083 0.002058 -0.005423
13.20693 2.50512 1.34897 -0.018478 -0.003827 -0.026785
17.29335 3.71694 3.19979 0.133017 0.042623 -0.113651
14.20035 4.69758 3.69278 -0.069222 0.057241 -0.110672
14.59997 3.56179 12.23787 -0.034282 0.005273 0.054541
13.57708 5.48481 0.72232 -0.014013 0.015076 -0.032454
12.29749 8.18631 0.22048 -0.001052 0.007255 -0.002931
16.86596 10.59176 5.62457 0.013925 0.010248 -0.013418
16.66958 8.43890 13.63905 0.005290 0.009039 0.002202
16.67265 11.67449 14.15979 0.005645 0.003051 0.004726
14.70756 7.45696 15.98014 0.000632 0.007620 0.004056
16.06899 0.34084 4.92526 -0.213216 -0.190169 -0.292629
14.63768 15.41566 3.05858 -0.023364 -0.044831 -0.046074
12.21694 15.07373 9.87203 -0.023873 -0.022964 0.013987
15.65466 0.14914 13.86557 0.010736 -0.005645 0.008056
14.35754 15.71932 11.91759 -0.015374 -0.014864 0.018617
14.30081 12.83268 16.21967 -0.000610 -0.005274 0.001418
8.77223 10.39607 2.47225 0.016345 0.007220 0.001654
12.91187 8.54216 10.48161 0.010344 -0.011986 -0.002659
8.49467 15.82840 2.99445 0.017959 -0.014266 0.011340
1.32045 2.68577 1.08043 0.089011 0.004192 -0.003873
5.44581 4.42337 3.31859 -0.272629 -0.169259 0.271528
2.71895 4.15019 2.95898 0.420812 -0.079538 0.324143
2.89361 2.63574 7.84048 16.413511 -3.800923 -1.648177
3.72928 2.61904 13.46082 0.047566 -0.023928 -0.024552
1.12195 3.42722 9.72736 2.980761 0.070061 -0.730956
2.69176 4.49808 11.70258 0.560151 0.067403 0.363618
1.13271 5.33613 0.95032 0.076606 -0.006053 0.014714
4.03043 8.42197 5.67301 0.030167 -0.150388 0.076241
3.75157 11.03623 5.64253 0.027013 -0.012915 -0.001052
2.52170 7.25791 7.75547 0.334406 -0.036283 -0.185778
17.39856 7.13193 7.68295 0.118755 0.138901 0.029174
1.18188 6.06412 9.94036 0.149783 0.336118 -0.035947
1.18202 8.73358 9.65531 0.054558 0.086109 0.017322
3.91098 11.84592 13.59643 0.020322 0.008627 0.003060
5.12928 10.31683 11.41789 0.049882 -0.023665 -0.032356
2.50977 10.51875 11.46580 0.069622 0.023950 0.028825
17.45087 6.59897 16.12377 0.050588 0.001317 0.046000
3.55980 13.67281 5.25157 0.037221 0.039356 0.016581
1.28803 14.62748 0.64715 0.036259 -0.009451 -0.016976
4.98905 14.24610 3.11864 0.026451 0.019078 0.016660
2.40264 15.06164 3.08512 0.116123 -0.029140 0.050006
2.72172 12.72875 7.62075 0.109159 -0.000106 -0.064898
1.06333 11.39589 9.35618 0.033910 0.002393 0.007426
3.61212 17.43666 14.11103 0.043475 -0.010133 -0.032837
2.61877 15.69429 12.36150 0.152648 0.011080 0.073514
2.80206 13.36593 15.83914 0.051321 -0.002730 -0.027158
17.47316 13.58140 16.05649 0.038024 -0.002748 0.015255
9.77890 2.08644 1.42003 -0.049512 0.005658 -0.002692
11.39452 4.37239 2.86549 -0.158651 -0.005360 0.060466
5.75314 2.47184 7.89843 -1.471236 0.121297 -0.407364
10.58974 3.42804 13.84178 -0.035723 -0.011061 0.016717
7.29963 3.26088 10.01774 -0.143502 -0.188563 -0.259386
10.61644 6.04073 13.30213 -0.047804 -0.018454 -0.007771
8.72282 4.57356 11.93667 -0.174293 -0.016226 -0.098807
6.87268 5.85394 1.60201 -0.020580 -0.081549 0.096097
10.69996 7.99849 7.09252 -0.050951 -0.022510 -0.001724
5.73707 8.23825 1.01832 0.005290 -0.024038 0.009694
10.63831 11.82289 5.95914 -0.023018 0.000740 0.004151
12.27791 10.92294 3.59234 -0.027449 -0.005298 0.004991
7.82470 9.40720 2.06031 -0.015453 -0.014809 -0.000066
7.06519 5.95381 10.03323 -0.043416 -0.046593 -0.057412
11.49637 8.56646 14.11248 -0.017595 0.017335 0.000680
6.22218 8.54831 9.46647 -0.009882 -0.121422 -0.070369
10.64255 10.88430 15.28736 -0.014465 0.006854 0.006244
5.27533 6.08183 16.89617 0.036951 -0.012249 0.040892
6.19392 10.87447 0.49133 -0.004148 -0.014151 0.017051
6.63594 13.50144 0.40946 -0.006828 0.010038 0.012569
9.20318 15.33527 4.12194 -0.053004 0.008397 -0.004450
8.65369 12.87516 7.41323 -0.090691 0.004425 0.020728
5.50203 12.61795 6.94111 0.029964 0.025967 0.003515
10.10713 13.64215 15.27789 -0.017430 0.005507 -0.004247
10.67911 0.87544 14.08625 -0.045667 -0.010153 -0.019239
11.60356 17.20368 11.75834 -0.128564 0.023225 0.070081
8.39118 11.91622 16.60701 -0.031994 -0.000312 0.009411
5.50451 12.34914 15.80657 0.008419 0.004941 -0.000296
15.73327 3.04046 5.55542 -0.302819 0.513222 -0.751827
16.46394 5.60663 5.46979 -0.001055 0.168235 -0.075439
14.52808 1.45286 7.47168 -0.724263 -0.077813 0.234989
11.79275 1.56088 7.78873 -0.414756 0.019897 -0.134781
13.32704 0.21681 9.64565 -0.128591 -0.153152 0.165514
16.41790 2.90736 14.26355 0.008293 -0.048324 0.074791
13.45171 2.82808 9.57211 -0.170087 0.078001 0.147479
16.10069 5.57752 13.99343 0.002954 0.077609 0.075386
0.00005 4.40711 11.99025 -0.017262 0.026788 0.103193
14.62884 1.73967 16.17160 -0.011646 -0.005479 0.014474
11.98368 2.03831 16.06725 -0.069141 0.013007 -0.043140
15.63239 8.11986 5.68103 -0.005742 0.133249 -0.082830
17.11138 8.55854 3.60414 0.067557 0.014873 -0.053052
14.79559 9.98222 3.60061 -0.008524 0.014897 -0.022335
14.83832 6.40254 7.47085 -0.021684 0.103593 -0.007537
10.26118 5.42988 7.96507 -0.062616 -0.008539 -0.006498
13.84142 5.42996 10.14226 -0.066677 0.026717 0.047891
12.90067 9.94534 10.26834 -0.006884 0.016935 0.007105
17.40760 10.25314 11.57387 0.018842 0.009973 0.001868
14.84553 10.65634 12.01294 -0.003000 0.005042 0.005045
12.09160 6.31793 15.56215 -0.021772 0.001603 -0.012502
13.66330 11.76838 1.50243 -0.008368 -0.003477 -0.016241
15.90808 14.97969 5.66759 -0.023615 -0.183607 0.061951
12.90234 14.38066 1.10662 -0.026537 -0.035036 -0.034911
17.39979 15.79595 3.12260 0.202022 -0.087894 -0.191531
14.24465 13.87010 7.98683 -0.061536 -0.030175 0.043361
11.50975 12.98027 8.22780 -0.066574 -0.013514 -0.036624
13.37751 12.44417 10.26044 -0.010002 -0.015209 0.017058
15.76289 14.59733 14.23402 0.011908 -0.032459 0.024194
17.35248 15.55367 12.27553 0.047476 -0.020985 -0.000314
11.51892 12.39014 17.28946 -0.039982 -0.009730 -0.020355
2.14782 0.44560 2.19550 -0.008764 0.002033 0.002352
3.29477 2.11300 4.94555 -0.039406 -0.028002 -0.100493
2.45654 5.15830 5.71352 -0.108333 0.056806 0.007929
17.13665 1.28635 8.55333 0.402259 0.579443 0.055840
2.05496 17.16622 9.63831 0.006074 -0.060885 -0.017142
2.76007 4.61458 14.97268 0.005772 -0.000559 -0.003493
5.82104 5.64963 12.65472 0.003314 -0.003655 -0.013630
1.99867 2.73895 15.76239 0.002842 -0.003774 -0.000495
16.62702 0.41219 17.23014 0.008503 0.001057 0.003949
0.53299 8.97932 0.15968 0.004456 -0.000856 -0.000598
6.28070 9.99466 4.05905 0.009000 0.003734 -0.001889
2.80484 10.34140 2.60493 0.009225 -0.002733 0.001729
5.85876 7.59725 14.24081 0.007703 0.002009 -0.000389
2.33378 8.07412 16.06384 0.003419 -0.002097 0.001448
0.72196 11.42800 1.39191 0.001915 0.003060 -0.002686
4.17641 17.36384 8.00554 0.003094 -0.087260 -0.019917
0.17664 14.81238 7.80592 -0.019140 0.010853 -0.001826
5.28314 15.15948 14.98492 0.005817 -0.000777 0.000555
1.99589 13.21868 11.02572 0.010762 -0.004894 -0.001825
4.90269 16.46159 10.85427 -0.009334 -0.023371 0.003640
11.44760 2.27402 4.62061 -0.002917 -0.003491 0.017000
6.42001 2.18281 1.50214 0.001779 -0.011867 -0.011555
11.20298 6.44871 5.00937 -0.001639 -0.010558 0.002477
8.23943 2.94593 3.71752 0.013787 -0.010426 -0.006940
9.07830 3.43667 7.86385 -0.007230 0.005938 0.010369
8.13841 17.45818 9.05432 -0.014348 0.031505 -0.015812
11.09062 4.59939 10.31069 0.009642 -0.000601 0.004139
8.29143 2.75175 15.42638 0.000352 0.001645 -0.000267
8.82941 17.22992 17.22214 0.004711 0.005928 0.003430
7.50840 7.62286 6.62087 0.007243 0.009816 -0.007863
4.60511 5.74329 8.41778 0.001304 0.053195 0.060593
12.92668 11.75537 13.63632 0.002536 -0.000374 0.000158
8.02117 10.55523 12.10517 0.002155 -0.002574 -0.002055
8.67556 7.71636 17.49570 0.006369 -0.000031 -0.002627
11.47875 15.24589 6.91703 0.008174 -0.002541 -0.002178
9.35972 16.97903 6.56192 0.001962 -0.011431 0.005605
11.03713 17.07922 2.67792 0.000162 0.003982 -0.002084
7.42775 12.08916 10.09180 0.005887 -0.005685 0.000160
7.92017 14.83580 12.09082 0.000140 0.015770 0.000115
8.50905 1.48718 11.99359 0.007560 -0.000943 0.018443
13.83892 16.58967 17.12637 0.003217 -0.001259 0.002616
14.18064 2.16404 1.76300 -0.004436 0.005519 0.005661
0.22637 2.85420 3.74771 -0.039244 0.007427 0.027287
13.55731 4.46328 4.56374 0.036957 -0.012886 0.003286
13.93368 3.48067 13.12140 0.000268 -0.003317 0.013861
14.29477 4.78199 0.25086 0.000502 -0.000446 -0.000197
12.05112 9.01860 17.04503 0.003814 0.001541 0.000771
16.27694 10.80430 6.52497 0.005019 -0.001237 -0.004531
16.72250 7.84092 12.70809 0.001987 -0.002388 0.002509
0.08131 12.14367 13.72814 0.002731 0.001659 -0.000780
15.18747 8.06134 16.77823 0.000288 0.002500 0.001822
15.33129 0.80027 4.23469 -0.000559 -0.044947 -0.111822
15.22283 14.74953 2.39790 -0.014963 -0.016818 -0.012929
11.52991 14.60593 10.60396 -0.000341 -0.007902 0.001016
14.54913 0.08259 13.94141 0.005176 -0.001248 0.001706
13.64918 15.17179 12.57877 0.007873 -0.009581 0.005130
14.26990 11.73639 16.04700 0.003891 -0.001074 -0.001121
2.83011 17.00291 0.89614 0.011822 0.002619 -0.006894
5.01762 2.19884 4.72481 -0.001007 -0.022385 0.274809
2.72197 6.40768 4.52960 0.023310 -0.042351 0.003914
0.61592 0.85326 7.17988 -0.522032 -0.983914 -0.266164
1.05804 0.47662 10.87149 -0.036116 0.003702 -0.024527
2.72869 6.02833 13.97220 0.008424 -0.008144 -0.005942
6.27365 4.07474 13.21275 0.012019 -0.000402 -0.013462
3.39789 2.54642 16.78232 0.006755 0.003330 -0.002988
0.26647 0.03376 15.97352 0.002865 -0.001477 -0.001597
16.86896 8.04953 1.06168 0.008809 -0.001940 0.004068
5.26691 11.21282 3.35522 0.000378 -0.003163 0.000740
1.79651 10.63408 3.97172 0.001762 -0.007099 0.003891
4.24367 8.25477 13.91418 0.001562 -0.001695 0.002869
3.20146 7.72932 0.04071 0.002810 0.004097 -0.000748
17.29565 11.52683 2.88643 0.002161 -0.001428 -0.000355
5.09458 17.34903 6.48077 -0.017003 0.262248 0.029927
16.80060 13.95067 9.04167 0.009395 0.002546 0.001841
5.65314 14.35380 13.49055 0.009151 -0.004573 0.002668
2.85103 14.37043 10.06567 0.012513 -0.001725 0.008147
4.88020 0.46410 11.72901 -0.001171 0.009375 0.024103
11.82432 3.49932 5.78478 -0.005253 -0.012753 -0.003081
6.33916 3.40343 0.25044 0.001039 -0.001247 0.001586
9.59394 6.71839 4.41200 0.006125 0.005673 -0.002105
7.91802 4.38505 4.66043 0.010160 0.008614 0.009442
8.23543 2.62518 6.58554 0.023492 0.023896 -0.026160
6.41431 17.32071 8.88054 0.025346 -0.052653 0.008277
11.14557 3.00954 10.98712 0.010552 -0.007493 -0.000513
9.36027 3.86210 16.23230 0.005904 -0.001278 -0.001352
7.53966 17.41529 0.94072 0.003844 -0.005792 -0.000459
8.48774 8.36338 7.84778 -0.001983 -0.006228 0.005270
5.72768 5.64505 7.08615 0.045379 0.015670 -0.018908
11.53162 12.14308 12.66419 0.005440 0.002392 -0.000561
7.77778 8.79967 12.01567 0.005056 0.001804 0.002663
7.67148 7.97660 16.05599 0.000634 -0.001169 0.003152
11.96712 14.11387 5.69832 0.000079 0.005512 -0.000491
9.20674 0.45352 5.13285 -0.002787 -0.002474 -0.015150
12.42086 17.27854 3.71166 0.006909 -0.009467 -0.000565
5.72984 12.20671 9.71226 -0.001283 -0.005292 0.004287
7.06651 14.59485 10.54611 0.004824 -0.006819 0.002217
8.18003 0.43236 13.34917 -0.009595 -0.001955 -0.009774
12.13433 16.79403 17.35819 0.003367 -0.001708 -0.008149
12.47800 1.85419 1.86970 0.010454 -0.004608 0.002067
16.61133 3.22326 2.47663 0.024593 0.000825 -0.008212
14.18380 5.80672 3.64923 -0.017255 0.012366 -0.012054
14.87276 2.50739 12.03337 0.012127 0.016274 -0.022374
14.23243 6.19147 1.27631 -0.001138 -0.004018 0.005788
12.93327 8.58137 1.02753 0.003250 -0.001443 -0.000719
0.31818 10.15222 5.96061 0.001153 -0.004263 0.002575
0.23893 8.66414 13.84372 0.005265 0.001641 -0.000875
17.08408 11.06555 14.99139 0.003364 -0.002072 -0.000114
14.24371 8.22849 15.33189 0.007178 0.002321 -0.001431
17.03243 0.72423 4.52831 -0.011183 0.002223 0.058290
14.06257 14.70897 3.69175 -0.002642 -0.011658 -0.007490
11.55248 15.52990 9.11606 0.008783 0.004473 -0.002470
15.79992 0.71375 12.92180 0.006732 -0.001423 0.002122
14.66771 14.92743 11.20480 0.003529 0.003853 -0.003043
13.59723 13.22883 15.45681 0.006454 0.001064 -0.001676
0.28893 16.96969 9.61776 0.061201 0.093718 -0.020142
5.14861 8.79609 15.34428 0.004833 0.000888 -0.001544
16.57887 10.76457 1.44815 0.006365 -0.002873 0.002314
3.32280 17.43531 6.45000 -0.007118 -0.067454 0.021058
7.22345 0.33037 16.74849 0.002111 -0.001344 0.000166
8.80270 9.61454 10.81195 0.006945 0.000693 0.003520
8.32656 6.35754 16.39008 0.006301 0.001568 -0.000399
8.73549 15.20213 10.55252 0.005656 -0.004209 0.004027
11.35757 7.84337 0.68199 0.003451 -0.000703 0.001534
17.07689 11.54135 5.11708 0.002752 0.007391 0.003747
1.05898 4.30352 7.32607 2.525960 -1.586667 1.058323
4.03509 12.56543 11.20951 0.013703 0.001377 -0.000969
2.98241 12.61908 2.99845 0.013735 0.000396 0.006526
13.02951 6.77394 13.23542 -0.005832 0.001159 0.001987
9.81405 10.04557 13.02717 -0.002503 0.000006 0.000471
14.38062 12.44509 3.83928 -0.001847 -0.003566 -0.003016
15.29130 12.60070 6.14349 -0.001325 -0.015810 0.011241
1.51212 12.17674 0.04632 0.009431 -0.000819 -0.000642
5.20365 1.54821 15.21091 0.013500 -0.001590 -0.002633
6.79297 14.20253 8.32851 -0.003349 0.019667 0.004803
11.61515 7.96197 6.76612 0.014842 -0.000500 0.005199
10.25461 10.96603 6.21744 0.012517 0.000136 -0.000810
11.90891 11.26603 4.43245 0.017197 -0.001218 -0.007718
8.53540 10.78259 3.48001 0.003390 -0.000427 0.000532
9.76681 9.93079 2.50215 0.002932 0.002403 -0.000226
8.80784 11.23977 1.76494 0.003855 -0.002093 0.000005
14.97448 6.01037 8.35394 0.053456 -0.061218 -0.028874
10.93413 4.83383 7.59381 0.032522 0.006385 0.008602
13.14865 5.92816 9.67432 0.021803 -0.011505 -0.004227
12.65000 8.06887 9.52187 0.011824 -0.000118 0.004305
13.90414 8.18239 10.79823 -0.001986 -0.003082 -0.005927
12.16474 8.24325 11.23577 0.002229 0.000443 0.003443
5.27827 14.04824 2.20496 0.006153 -0.002043 -0.005671
10.20084 2.92381 1.69633 0.027974 0.005521 0.000425
7.46833 14.00510 0.41146 0.006675 -0.004283 -0.002772
7.48179 15.39929 3.01468 0.000959 -0.006754 -0.005347
8.41010 16.93048 3.00754 0.009773 0.008522 -0.005014
8.99741 15.53505 2.05618 0.000347 0.005291 0.001913
-----------------------------------------------------------------------------------
total drift: -0.000000 0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 5 DIRECTION 1 : 3.088 0.078 -0.209
rigid augmentation : 0.200 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -1.112 0.078 -0.209
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 14/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 17( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258997; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258907; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01055283
-V(xc)+E(xc) XCENC = 0.02202018
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02292261
---------------------------------------------------
free energy TOTEN = -0.01145526 eV
energy without entropy = -0.01145526
----------------------------------------- Iteration 17( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258997; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258907; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.72577E+00 rms(broyden)= 0.72495E+00
rms(prec ) = 0.79805E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01055283
-V(xc)+E(xc) XCENC = 0.02202018
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01273810
---------------------------------------------------
free energy TOTEN = -0.00127076 eV
energy without entropy = -0.00127076
----------------------------------------- Iteration 17( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258995; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258909; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.44395E+00 rms(broyden)= 0.44386E+00
rms(prec ) = 0.49259E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3893
2.3893
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00962717
-V(xc)+E(xc) XCENC = 0.01837927
PAW double counting = 0.00354548 -0.00354688
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01301629
---------------------------------------------------
free energy TOTEN = -0.00426558 eV
energy without entropy = -0.00426558
----------------------------------------- Iteration 17( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258997; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258908; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.92486E-01 rms(broyden)= 0.92359E-01
rms(prec ) = 0.11337E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0391
1.5529 2.5252
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00862519
-V(xc)+E(xc) XCENC = 0.01589084
PAW double counting = 0.01941583 -0.01942418
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01355640
---------------------------------------------------
free energy TOTEN = -0.00629910 eV
energy without entropy = -0.00629910
----------------------------------------- Iteration 17( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258904; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.35770E-01 rms(broyden)= 0.35729E-01
rms(prec ) = 0.48465E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8200
2.8337 0.9093 1.7169
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00842718
-V(xc)+E(xc) XCENC = 0.01576915
PAW double counting = 0.02018733 -0.02019633
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373911
---------------------------------------------------
free energy TOTEN = -0.00640614 eV
energy without entropy = -0.00640614
----------------------------------------- Iteration 17( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259002; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258902; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.19325E-01 rms(broyden)= 0.19314E-01
rms(prec ) = 0.27606E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8657
2.9770 2.1423 0.9548 1.3887
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00839352
-V(xc)+E(xc) XCENC = 0.01583741
PAW double counting = 0.02085135 -0.02086071
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01377765
---------------------------------------------------
free energy TOTEN = -0.00634312 eV
energy without entropy = -0.00634312
----------------------------------------- Iteration 17( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259004; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258900; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.82951E-02 rms(broyden)= 0.82883E-02
rms(prec ) = 0.12755E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8416
3.1838 2.4255 1.6451 0.9767 0.9767
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00840535
-V(xc)+E(xc) XCENC = 0.01593564
PAW double counting = 0.02065293 -0.02066211
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01377611
---------------------------------------------------
free energy TOTEN = -0.00625500 eV
energy without entropy = -0.00625500
----------------------------------------- Iteration 17( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259005; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258899; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.45490E-02 rms(broyden)= 0.45455E-02
rms(prec ) = 0.69416E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9126
3.6235 2.7492 1.9117 1.3152 0.9381 0.9381
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00840220
-V(xc)+E(xc) XCENC = 0.01596598
PAW double counting = 0.02067776 -0.02068687
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01378304
---------------------------------------------------
free energy TOTEN = -0.00622838 eV
energy without entropy = -0.00622838
----------------------------------------- Iteration 17( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259006; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258898; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.23199E-02 rms(broyden)= 0.23165E-02
rms(prec ) = 0.31213E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8916
3.7581 2.8492 2.1069 0.8737 1.3183 1.1674 1.1674
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00839438
-V(xc)+E(xc) XCENC = 0.01597317
PAW double counting = 0.02069715 -0.02070621
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01379160
---------------------------------------------------
free energy TOTEN = -0.00622188 eV
energy without entropy = -0.00622188
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0575 0.00000
5 -0.4363 0.00000
6 -0.1419 0.00000
7 0.0213 0.00000
8 -0.0563 0.00000
9 -0.6494 0.00000
10 -0.2796 0.00000
11 -0.0192 0.00000
12 -0.0132 0.00000
13 -0.0161 0.00000
14 0.0763 0.00000
15 0.0312 0.00000
16 -0.0063 0.00000
17 -0.0183 0.00000
18 -0.2482 0.00000
19 0.0202 0.00000
20 0.0083 0.00000
21 -0.0368 0.00000
22 -0.0797 0.00000
23 -0.0442 0.00000
24 0.0208 0.00000
25 -0.1230 0.00000
26 0.1220 0.00000
27 0.1051 0.00000
28 0.1459 0.00000
29 -0.0427 0.00000
30 -0.0316 0.00000
31 0.0467 0.00000
32 0.2332 0.00000
33 -0.0019 0.00000
34 0.0882 0.00000
35 -0.0026 0.00000
36 -0.0998 0.00000
37 0.1119 0.00000
38 -0.0930 0.00000
39 -0.0695 0.00000
40 0.1233 0.00000
41 -0.1736 0.00000
42 -0.0116 0.00000
43 0.1703 0.00000
44 -0.0660 0.00000
45 -0.1828 0.00000
46 0.0573 0.00000
47 -0.0271 0.00000
48 -0.0747 0.00000
49 -0.0372 0.00000
50 -0.1880 0.00000
51 0.0623 0.00000
52 -0.0751 0.00000
53 0.0028 0.00000
54 -0.0112 0.00000
55 -0.0192 0.00000
56 -0.2027 0.00000
57 0.0156 0.00000
58 -0.2424 0.00000
59 -0.1230 0.00000
60 -0.1654 0.00000
61 0.0225 0.00000
62 -0.0269 0.00000
63 -0.1049 0.00000
64 -0.2383 0.00000
65 -0.3129 0.00000
66 -0.0644 0.00000
67 -0.0952 0.00000
68 -0.2131 0.00000
69 0.0205 0.00000
70 0.0165 0.00000
71 -0.1527 0.00000
72 -0.0492 0.00000
73 -0.0359 0.00000
74 -0.0153 0.00000
75 -0.0061 0.00000
76 0.0312 0.00000
77 0.0103 0.00000
78 -0.1253 0.00000
79 -0.0672 0.00000
80 -0.0105 0.00000
81 -0.0637 0.00000
82 0.1865 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0208 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0940 0.00000
90 0.0749 0.00000
91 0.0253 0.00000
92 0.0745 0.00000
93 0.0023 0.00000
94 -0.0683 0.00000
95 0.0078 0.00000
96 -0.0019 0.00000
97 0.0487 0.00000
98 0.1537 0.00000
99 0.1581 0.00000
100 -0.0737 0.00000
101 0.2136 0.00000
102 0.6959 0.00000
103 0.0834 0.00000
104 0.2462 0.00000
105 0.1590 0.00000
106 0.0154 0.00000
107 0.0210 0.00000
108 0.0439 0.00000
109 0.1033 0.00000
110 0.3239 0.00000
111 0.1199 0.00000
112 0.3242 0.00000
113 0.0683 0.00000
114 0.0362 0.00000
115 -0.0239 0.00000
116 -0.0016 0.00000
117 -0.0446 0.00000
118 0.0235 0.00000
119 -0.0308 0.00000
120 0.1284 0.00000
121 0.6436 0.00000
122 0.0280 0.00000
123 0.0798 0.00000
124 0.2972 0.00000
125 0.0984 0.00000
126 0.0640 0.00000
127 -0.0408 0.00000
128 -0.0194 0.00000
129 0.0597 0.00000
130 0.0835 0.00000
131 0.2642 0.00000
132 -0.0174 0.00000
133 -0.0012 0.00000
134 0.0868 0.00000
135 -0.0388 0.00000
136 0.0198 0.00000
137 -0.0839 0.00000
138 -0.0910 0.00000
139 0.1193 0.00000
140 0.0230 0.00000
141 0.0393 0.00000
142 -0.0558 0.00000
143 0.0347 0.00000
144 -0.0014 0.00000
145 -0.0411 0.00000
146 -0.0484 0.00000
147 -0.0364 0.00000
148 0.0172 0.00000
149 -0.3152 0.00000
150 0.1676 0.00000
151 -0.1784 0.00000
152 -0.0366 0.00000
153 -0.1128 0.00000
154 -0.1043 0.00000
155 -0.1108 0.00000
156 0.0154 0.00000
157 0.0309 0.00000
158 -0.0630 0.00000
159 0.0761 0.00000
160 -0.0485 0.00000
161 -0.0257 0.00000
162 0.0290 0.00000
163 -0.0374 0.00000
164 0.0793 0.00000
165 0.0485 0.00000
166 -0.0513 0.00000
167 0.0135 0.00000
168 -0.0276 0.00000
169 0.0011 0.00000
170 0.0786 0.00000
171 0.0339 0.00000
172 0.0171 0.00000
173 -0.0117 0.00000
174 -0.0382 0.00000
175 0.0012 0.00000
176 0.0152 0.00000
177 -0.0098 0.00000
178 -0.0394 0.00000
179 0.0157 0.00000
180 0.0257 0.00000
181 -0.0187 0.00000
182 -0.0457 0.00000
183 0.0015 0.00000
184 -0.0009 0.00000
185 0.0201 0.00000
186 0.0197 0.00000
187 -0.0678 0.00000
188 0.0147 0.00000
189 0.0184 0.00000
190 -0.0584 0.00000
191 0.0124 0.00000
192 -0.0558 0.00000
193 -0.0059 0.00000
194 -0.1499 0.00000
195 0.0265 0.00000
196 0.0012 0.00000
197 -0.0383 0.00000
198 -0.0184 0.00000
199 -0.0518 0.00000
200 -0.0784 0.00000
201 0.0122 0.00000
202 -0.0304 0.00000
203 -0.1074 0.00000
204 -0.1180 0.00000
205 -0.0901 0.00000
206 -0.2573 0.00000
207 -0.1030 0.00000
208 -0.0607 0.00000
209 -0.0819 0.00000
210 -0.0048 0.00000
211 0.0161 0.00000
212 -0.1572 0.00000
213 -0.0589 0.00000
214 -0.0897 0.00000
215 -0.0846 0.00000
216 -0.0347 0.00000
217 -0.0194 0.00000
218 -0.0177 0.00000
219 0.0272 0.00000
220 -0.0120 0.00000
221 0.0022 0.00000
222 -0.0223 0.00000
223 -0.0564 0.00000
224 -0.0060 0.00000
225 -0.1380 0.00000
226 -0.1044 0.00000
227 -0.0119 0.00000
228 -0.0141 0.00000
229 -0.1424 0.00000
230 0.0636 0.00000
231 0.0544 0.00000
232 -0.0184 0.00000
233 -0.0213 0.00000
234 0.0060 0.00000
235 0.0141 0.00000
236 0.0607 0.00000
237 0.0318 0.00000
238 0.0320 0.00000
239 0.0124 0.00000
240 0.0304 0.00000
241 0.0436 0.00000
242 0.0259 0.00000
243 -0.1666 0.00000
244 -0.0605 0.00000
245 -0.0476 0.00000
246 -0.1326 0.00000
247 -0.4354 0.00000
248 -0.4512 0.00000
249 -0.1202 0.00000
250 -0.0961 0.00000
251 0.0057 0.00000
252 -0.0625 0.00000
253 -0.0170 0.00000
254 0.0478 0.00000
255 0.0339 0.00000
256 0.0862 0.00000
257 0.0245 0.00000
258 0.3707 0.00000
259 -0.0101 0.00000
260 0.0509 0.00000
261 0.0164 0.00000
262 0.0520 0.00000
263 0.0429 0.00000
264 0.0509 0.00000
265 0.0076 0.00000
266 0.0031 0.00000
267 0.0116 0.00000
268 0.0319 0.00000
269 0.0410 0.00000
270 0.0434 0.00000
271 0.0499 0.00000
272 0.0729 0.00000
273 0.0328 0.00000
274 0.0608 0.00000
275 0.1373 0.00000
276 0.0185 0.00000
277 -0.0291 0.00000
278 0.0098 0.00000
279 0.1850 0.00000
280 0.0089 0.00000
281 0.0107 0.00000
282 0.0424 0.00000
283 0.0442 0.00000
284 0.0470 0.00000
285 0.0657 0.00000
286 0.0999 0.00000
287 0.0200 0.00000
288 -0.0122 0.00000
289 0.1271 0.00000
290 0.0446 0.00000
291 -0.0173 0.00000
292 0.2414 0.00000
293 0.0407 0.00000
294 -0.0446 0.00000
295 0.0778 0.00000
296 0.1118 0.00000
297 0.0920 0.00000
298 0.0072 0.00000
299 0.0430 0.00000
300 0.1079 0.00000
301 0.1151 0.00000
302 0.0488 0.00000
303 0.0508 0.00000
304 0.0345 0.00000
305 0.1259 0.00000
306 0.0953 0.00000
307 0.0695 0.00000
308 0.0209 0.00000
309 0.0021 0.00000
310 0.0745 0.00000
311 0.2814 0.00000
312 0.0786 0.00000
313 -0.0087 0.00000
314 0.0615 0.00000
315 0.0350 0.00000
316 0.1450 0.00000
317 0.1508 0.00000
318 0.0807 0.00000
319 0.0660 0.00000
320 -0.0172 0.00000
321 0.0844 0.00000
322 0.1126 0.00000
323 -0.0036 0.00000
324 0.0645 0.00000
325 -0.0118 0.00000
326 0.0359 0.00000
327 0.0465 0.00000
328 0.0165 0.00000
329 0.0111 0.00000
330 -0.0314 0.00000
331 -0.0519 0.00000
332 0.0091 0.00000
333 0.0482 0.00000
334 0.0856 0.00000
335 0.0007 0.00000
336 -0.0189 0.00000
337 -0.0317 0.00000
338 0.0720 0.00000
339 0.1080 0.00000
340 0.0001 0.00000
341 0.0715 0.00000
342 -0.0336 0.00000
343 -0.0221 0.00000
344 0.0016 0.00000
345 0.0353 0.00000
346 -0.0114 0.00000
347 0.0006 0.00000
348 -0.0426 0.00000
349 0.0232 0.00000
350 -0.0288 0.00000
351 -0.0353 0.00000
352 -0.0317 0.00000
353 -0.0203 0.00000
354 0.0299 0.00000
355 -0.0064 0.00000
356 -0.0535 0.00000
357 0.0191 0.00000
358 -0.0450 0.00000
359 -0.1154 0.00000
360 0.0721 0.00000
361 -0.0237 0.00000
362 -0.0226 0.00000
363 -0.0470 0.00000
364 0.0202 0.00000
365 -0.0814 0.00000
366 -0.0163 0.00000
367 -0.0983 0.00000
368 0.0354 0.00000
369 0.0878 0.00000
370 -0.0369 0.00000
371 0.0205 0.00000
372 -0.0206 0.00000
373 -0.0298 0.00000
374 0.0173 0.00000
375 -0.0525 0.00000
376 0.1183 0.00000
377 -0.0168 0.00000
378 0.0141 0.00000
379 -0.0352 0.00000
380 -0.0041 0.00000
381 -0.0869 0.00000
382 -0.0516 0.00000
383 -0.0052 0.00000
384 0.0258 0.00000
385 -0.0350 0.00000
386 0.0039 0.00000
387 -0.0011 0.00000
388 -0.0029 0.00000
389 0.0254 0.00000
390 -0.0678 0.00000
391 0.0483 0.00000
392 -0.0855 0.00000
393 -0.0458 0.00000
394 0.0653 0.00000
395 -0.1590 0.00000
396 -0.0503 0.00000
397 -0.0238 0.00000
398 -0.0457 0.00000
399 -0.0357 0.00000
400 -0.0591 0.00000
401 0.0340 0.00000
402 -0.0414 0.00000
403 -0.1230 0.00000
404 -0.0619 0.00000
405 0.0047 0.00000
406 -0.1226 0.00000
407 -0.1192 0.00000
408 -0.1751 0.00000
409 -0.0610 0.00000
410 0.0141 0.00000
411 -0.0854 0.00000
412 -0.1427 0.00000
413 -0.0776 0.00000
414 -0.0040 0.00000
415 -0.0931 0.00000
416 -0.0123 0.00000
417 -0.0061 0.00000
418 -0.0676 0.00000
419 -0.0252 0.00000
420 -0.0210 0.00000
421 0.0161 0.00000
422 -0.0037 0.00000
423 -0.0973 0.00000
424 -0.0225 0.00000
425 -0.0003 0.00000
426 0.0063 0.00000
427 -0.0003 0.00000
428 0.0099 0.00000
429 -0.0573 0.00000
430 0.0019 0.00000
431 -0.0859 0.00000
432 -0.0243 0.00000
433 -0.0529 0.00000
434 -0.0016 0.00000
435 0.0074 0.00000
436 0.0579 0.00000
437 0.0076 0.00000
438 0.0398 0.00000
439 -0.0341 0.00000
440 -0.0631 0.00000
441 -0.0164 0.00000
442 -0.0750 0.00000
443 -0.0565 0.00000
444 -0.0252 0.00000
445 -0.0742 0.00000
446 -0.0129 0.00000
447 -0.0215 0.00000
448 -0.0645 0.00000
449 -0.0101 0.00000
450 -0.0031 0.00000
451 0.0049 0.00000
452 -0.0756 0.00000
453 -0.0599 0.00000
454 -0.0327 0.00000
455 -0.0071 0.00000
456 0.0023 0.00000
457 -0.0328 0.00000
458 0.0352 0.00000
459 -0.0186 0.00000
460 -0.0782 0.00000
461 0.0074 0.00000
462 -0.0651 0.00000
463 0.0271 0.00000
464 0.0433 0.00000
465 -0.0210 0.00000
466 -0.0447 0.00000
467 0.0182 0.00000
468 -0.0533 0.00000
469 -0.0198 0.00000
470 -0.0175 0.00000
471 0.0273 0.00000
472 -0.0732 0.00000
473 0.0176 0.00000
474 0.0089 0.00000
475 -0.0228 0.00000
476 -0.0113 0.00000
477 -0.0061 0.00000
478 0.0160 0.00000
479 0.0593 0.00000
480 0.0286 0.00000
481 0.0305 0.00000
482 -0.0309 0.00000
483 -0.0302 0.00000
484 -0.0003 0.00000
485 0.0473 0.00000
486 0.0154 0.00000
487 0.1272 0.00000
488 -0.0172 0.00000
489 -0.0549 0.00000
490 0.0214 0.00000
491 0.0272 0.00000
492 0.0067 0.00000
493 -0.0009 0.00000
494 -0.0297 0.00000
495 -0.0293 0.00000
496 -0.0237 0.00000
497 0.0181 0.00000
498 -0.0115 0.00000
499 0.0096 0.00000
500 -0.0709 0.00000
501 -0.0302 0.00000
502 0.0304 0.00000
503 -0.0711 0.00000
504 -0.0536 0.00000
505 -0.0217 0.00000
506 -0.0469 0.00000
507 0.0148 0.00000
508 -0.0715 0.00000
509 0.0272 0.00000
510 -0.0610 0.00000
511 -0.0281 0.00000
512 -0.0290 0.00000
513 -0.0293 0.00000
514 -0.0140 0.00000
515 0.0141 0.00000
516 -0.0801 0.00000
517 -0.0356 0.00000
518 -0.0293 0.00000
519 -0.0231 0.00000
520 -0.0521 0.00000
521 -0.0536 0.00000
522 -0.0670 0.00000
523 -0.1144 0.00000
524 0.0348 0.00000
525 -0.0549 0.00000
526 -0.1065 0.00000
527 -0.1782 0.00000
528 -0.0610 0.00000
529 -0.0775 0.00000
530 -0.0331 0.00000
531 -0.0338 0.00000
532 -0.0298 0.00000
533 -0.0003 0.00000
534 -0.0377 0.00000
535 -0.0205 0.00000
536 -0.0722 0.00000
537 -0.0509 0.00000
538 -0.0583 0.00000
539 -0.2252 0.00000
540 0.0485 0.00000
541 -0.1130 0.00000
542 -0.0656 0.00000
543 -0.1607 0.00000
544 -0.0450 0.00000
545 -0.0183 0.00000
546 0.0549 0.00000
547 -0.0664 0.00000
548 -0.0195 0.00000
549 -0.0415 0.00000
550 -0.0666 0.00000
551 -0.0157 0.00000
552 0.0156 0.00000
553 -0.0158 0.00000
554 -0.0710 0.00000
555 -0.0138 0.00000
556 0.0240 0.00000
557 -0.0266 0.00000
558 -0.0019 0.00000
559 0.0123 0.00000
560 -0.1120 0.00000
561 -0.0049 0.00000
562 0.0506 0.00000
563 0.1483 0.00000
564 0.0139 0.00000
565 0.0216 0.00000
566 0.0318 0.00000
567 -0.0050 0.00000
568 0.0014 0.00000
569 -0.0263 0.00000
570 -0.0094 0.00000
571 0.0503 0.00000
572 0.0740 0.00000
573 -0.0289 0.00000
574 -0.0228 0.00000
575 0.0796 0.00000
576 -0.0239 0.00000
577 -0.0506 0.00000
578 0.0053 0.00000
579 -0.0320 0.00000
580 -0.0157 0.00000
581 -0.0150 0.00000
582 -0.0089 0.00000
583 -0.0303 0.00000
584 -0.0667 0.00000
585 -0.0626 0.00000
586 -0.0428 0.00000
587 0.1195 0.00000
588 -0.0428 0.00000
589 0.0843 0.00000
590 -0.0391 0.00000
591 -0.0129 0.00000
592 -0.0198 0.00000
593 -0.0058 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0611 0.00000
597 0.0552 0.00000
598 0.0632 0.00000
599 0.0285 0.00000
600 -0.0215 0.00000
601 0.1070 0.00000
602 -0.1098 0.00000
603 0.0701 0.00000
604 0.0692 0.00000
605 0.0219 0.00000
606 0.0249 0.00000
607 0.0869 0.00000
608 0.0117 0.00000
609 0.0800 0.00000
610 0.0725 0.00000
611 0.0887 0.00000
612 0.0182 0.00000
613 0.0364 0.00000
614 -0.0060 0.00000
615 0.0182 0.00000
616 0.1237 0.00000
617 -0.0254 0.00000
618 0.0363 0.00000
619 0.0825 0.00000
620 0.2608 0.00000
621 0.0438 0.00000
622 0.0671 0.00000
623 0.0396 0.00000
624 0.0374 0.00000
625 0.0330 0.00000
626 0.0570 0.00000
627 0.0463 0.00000
628 0.0693 0.00000
629 0.0993 0.00000
630 0.0779 0.00000
631 -0.0460 0.00000
632 0.1170 0.00000
633 0.0654 0.00000
634 0.0302 0.00000
635 0.1171 0.00000
636 -0.0071 0.00000
637 0.0680 0.00000
638 -0.0075 0.00000
639 -0.0265 0.00000
640 0.0483 0.00000
641 -0.0202 0.00000
642 0.0166 0.00000
643 0.0523 0.00000
644 0.0183 0.00000
645 0.0007 0.00000
646 -0.0305 0.00000
647 0.0492 0.00000
648 0.0329 0.00000
649 0.0609 0.00000
650 0.0282 0.00000
651 -0.0254 0.00000
652 0.0067 0.00000
653 -0.0091 0.00000
654 -0.0654 0.00000
655 0.0313 0.00000
656 0.0044 0.00000
657 0.0526 0.00000
658 -0.0230 0.00000
659 0.0192 0.00000
660 0.0054 0.00000
661 0.0236 0.00000
662 0.0848 0.00000
663 0.0908 0.00000
664 0.0084 0.00000
665 -0.0488 0.00000
666 0.0025 0.00000
667 0.0176 0.00000
668 -0.0206 0.00000
669 0.0078 0.00000
670 -0.0500 0.00000
671 0.0355 0.00000
672 -0.0020 0.00000
673 -0.0165 0.00000
674 0.0183 0.00000
675 -0.0090 0.00000
676 0.0010 0.00000
677 0.0103 0.00000
678 -0.0534 0.00000
679 0.0344 0.00000
680 0.0378 0.00000
681 0.0260 0.00000
682 -0.0961 0.00000
683 -0.0132 0.00000
684 0.0158 0.00000
685 -0.0336 0.00000
686 0.0297 0.00000
687 0.0155 0.00000
688 0.0151 0.00000
689 0.0210 0.00000
690 -0.0247 0.00000
691 0.0041 0.00000
692 -0.1093 0.00000
693 0.0221 0.00000
694 0.0095 0.00000
695 -0.0587 0.00000
696 -0.1004 0.00000
697 0.0155 0.00000
698 -0.0812 0.00000
699 0.0270 0.00000
700 0.0283 0.00000
701 0.0249 0.00000
702 -0.0360 0.00000
703 -0.0227 0.00000
704 0.0372 0.00000
705 -0.0067 0.00000
706 -0.0476 0.00000
707 0.1753 0.00000
708 -0.0165 0.00000
709 -0.0814 0.00000
710 0.0202 0.00000
711 -0.0522 0.00000
712 -0.0257 0.00000
713 0.0112 0.00000
714 0.0594 0.00000
715 0.0101 0.00000
716 0.0201 0.00000
717 0.0036 0.00000
718 -0.0320 0.00000
719 -0.0036 0.00000
720 -0.0102 0.00000
721 -0.0069 0.00000
722 0.0456 0.00000
723 0.0000 0.00000
724 -0.0221 0.00000
725 0.0272 0.00000
726 0.0136 0.00000
727 0.0923 0.00000
728 0.0431 0.00000
729 0.0269 0.00000
730 0.0476 0.00000
731 0.0115 0.00000
732 -0.0054 0.00000
733 0.0772 0.00000
734 -0.0298 0.00000
735 0.0344 0.00000
736 -0.0391 0.00000
737 0.0293 0.00000
738 -0.0005 0.00000
739 0.0668 0.00000
740 0.0157 0.00000
741 0.0078 0.00000
742 -0.0037 0.00000
743 0.0031 0.00000
744 0.0018 0.00000
745 0.0064 0.00000
746 0.0550 0.00000
747 0.0902 0.00000
748 -0.0083 0.00000
749 0.0159 0.00000
750 -0.0028 0.00000
751 0.0153 0.00000
752 0.0106 0.00000
753 0.0502 0.00000
754 -0.0038 0.00000
755 0.0304 0.00000
756 0.0291 0.00000
757 -0.0191 0.00000
758 -0.0044 0.00000
759 0.0270 0.00000
760 -0.0018 0.00000
761 -0.0112 0.00000
762 0.0315 0.00000
763 0.0425 0.00000
764 -0.0282 0.00000
765 -0.0158 0.00000
766 -0.0167 0.00000
767 -0.0427 0.00000
768 0.0604 0.00000
769 -0.0257 0.00000
770 -0.0042 0.00000
771 0.0085 0.00000
772 0.0118 0.00000
773 -0.0070 0.00000
774 -0.0462 0.00000
775 0.0277 0.00000
776 0.0103 0.00000
777 -0.0380 0.00000
778 -0.0050 0.00000
779 0.0175 0.00000
780 -0.0085 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0452 0.00000
5 -0.4486 0.00000
6 -0.1437 0.00000
7 0.0250 0.00000
8 -0.0575 0.00000
9 -0.6544 0.00000
10 -0.2781 0.00000
11 -0.0164 0.00000
12 -0.0128 0.00000
13 -0.0161 0.00000
14 0.0763 0.00000
15 0.0300 0.00000
16 -0.0052 0.00000
17 -0.0167 0.00000
18 -0.2514 0.00000
19 0.0230 0.00000
20 0.0075 0.00000
21 -0.0368 0.00000
22 -0.0943 0.00000
23 -0.0391 0.00000
24 -0.0231 0.00000
25 -0.0324 0.00000
26 0.0585 0.00000
27 0.1678 0.00000
28 0.0563 0.00000
29 -0.0327 0.00000
30 -0.0347 0.00000
31 0.0880 0.00000
32 0.2370 0.00000
33 -0.0031 0.00000
34 0.0888 0.00000
35 -0.0018 0.00000
36 -0.0975 0.00000
37 0.1055 0.00000
38 -0.0927 0.00000
39 -0.0686 0.00000
40 0.1226 0.00000
41 -0.1694 0.00000
42 -0.0035 0.00000
43 0.1681 0.00000
44 -0.0479 0.00000
45 -0.1954 0.00000
46 0.0465 0.00000
47 -0.0283 0.00000
48 -0.0875 0.00000
49 -0.0885 0.00000
50 -0.0810 0.00000
51 0.0354 0.00000
52 -0.1067 0.00000
53 0.0102 0.00000
54 -0.0051 0.00000
55 -0.0363 0.00000
56 -0.1856 0.00000
57 0.0116 0.00000
58 -0.2222 0.00000
59 -0.1153 0.00000
60 -0.1912 0.00000
61 -0.0464 0.00000
62 -0.0262 0.00000
63 -0.0853 0.00000
64 -0.0805 0.00000
65 -0.2731 0.00000
66 -0.1260 0.00000
67 -0.2690 0.00000
68 -0.1211 0.00000
69 -0.0014 0.00000
70 0.0166 0.00000
71 -0.1416 0.00000
72 -0.0489 0.00000
73 -0.0090 0.00000
74 -0.0271 0.00000
75 -0.0245 0.00000
76 0.0497 0.00000
77 0.0035 0.00000
78 -0.1282 0.00000
79 -0.0633 0.00000
80 -0.0104 0.00000
81 -0.0637 0.00000
82 0.1859 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0208 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0934 0.00000
90 0.0735 0.00000
91 0.0329 0.00000
92 0.0690 0.00000
93 -0.0037 0.00000
94 -0.0627 0.00000
95 0.0032 0.00000
96 0.0055 0.00000
97 0.0433 0.00000
98 0.1823 0.00000
99 0.1743 0.00000
100 -0.0614 0.00000
101 0.1633 0.00000
102 0.7289 0.00000
103 0.0174 0.00000
104 0.2424 0.00000
105 0.1948 0.00000
106 0.0155 0.00000
107 0.0270 0.00000
108 0.0618 0.00000
109 0.0956 0.00000
110 0.4547 0.00000
111 -0.0336 0.00000
112 0.3484 0.00000
113 0.0610 0.00000
114 -0.0033 0.00000
115 0.0074 0.00000
116 -0.0024 0.00000
117 -0.0505 0.00000
118 0.0255 0.00000
119 -0.0416 0.00000
120 0.1290 0.00000
121 0.4354 0.00000
122 0.2466 0.00000
123 0.0725 0.00000
124 0.2634 0.00000
125 0.1379 0.00000
126 0.0587 0.00000
127 -0.0398 0.00000
128 -0.0116 0.00000
129 0.0585 0.00000
130 0.0738 0.00000
131 0.3092 0.00000
132 -0.0485 0.00000
133 -0.0072 0.00000
134 0.0862 0.00000
135 -0.0388 0.00000
136 0.0116 0.00000
137 -0.0652 0.00000
138 -0.0989 0.00000
139 0.1182 0.00000
140 0.0221 0.00000
141 0.0392 0.00000
142 -0.0584 0.00000
143 0.0366 0.00000
144 -0.0011 0.00000
145 -0.0411 0.00000
146 -0.0489 0.00000
147 -0.0360 0.00000
148 0.0609 0.00000
149 -0.3537 0.00000
150 0.1560 0.00000
151 -0.2079 0.00000
152 -0.0004 0.00000
153 -0.1033 0.00000
154 -0.0978 0.00000
155 -0.1091 0.00000
156 0.0379 0.00000
157 0.0078 0.00000
158 -0.0678 0.00000
159 0.0055 0.00000
160 0.0207 0.00000
161 0.0431 0.00000
162 -0.0629 0.00000
163 -0.0875 0.00000
164 0.1342 0.00000
165 -0.0193 0.00000
166 -0.0239 0.00000
167 0.0640 0.00000
168 0.0117 0.00000
169 0.0294 0.00000
170 -0.0075 0.00000
171 0.0973 0.00000
172 -0.0133 0.00000
173 -0.0237 0.00000
174 0.0023 0.00000
175 -0.0257 0.00000
176 -0.0032 0.00000
177 -0.0380 0.00000
178 -0.0284 0.00000
179 -0.0378 0.00000
180 0.0206 0.00000
181 0.0116 0.00000
182 0.0307 0.00000
183 0.0051 0.00000
184 0.0076 0.00000
185 0.0230 0.00000
186 0.0238 0.00000
187 -0.0720 0.00000
188 -0.1039 0.00000
189 -0.0157 0.00000
190 0.0291 0.00000
191 0.0174 0.00000
192 -0.0314 0.00000
193 -0.1001 0.00000
194 0.0290 0.00000
195 -0.0346 0.00000
196 -0.0198 0.00000
197 -0.0055 0.00000
198 -0.0884 0.00000
199 -0.0687 0.00000
200 -0.0698 0.00000
201 0.0012 0.00000
202 0.0031 0.00000
203 -0.1216 0.00000
204 -0.0603 0.00000
205 -0.0980 0.00000
206 -0.1998 0.00000
207 -0.1613 0.00000
208 -0.1008 0.00000
209 -0.1247 0.00000
210 0.0259 0.00000
211 -0.0717 0.00000
212 -0.0377 0.00000
213 -0.0327 0.00000
214 -0.0800 0.00000
215 -0.0450 0.00000
216 -0.0810 0.00000
217 -0.0391 0.00000
218 -0.0148 0.00000
219 -0.0203 0.00000
220 -0.0481 0.00000
221 0.0065 0.00000
222 0.0302 0.00000
223 -0.0676 0.00000
224 0.0047 0.00000
225 -0.0868 0.00000
226 -0.1199 0.00000
227 -0.0161 0.00000
228 -0.0157 0.00000
229 -0.1429 0.00000
230 0.0462 0.00000
231 0.0544 0.00000
232 -0.0209 0.00000
233 -0.0198 0.00000
234 0.0078 0.00000
235 0.0167 0.00000
236 0.0151 0.00000
237 0.0570 0.00000
238 0.0511 0.00000
239 0.0432 0.00000
240 0.0118 0.00000
241 0.0120 0.00000
242 0.0129 0.00000
243 -0.0819 0.00000
244 -0.0586 0.00000
245 -0.1893 0.00000
246 0.0569 0.00000
247 -0.2289 0.00000
248 -1.0039 0.00000
249 0.0067 0.00000
250 0.0121 0.00000
251 -0.0329 0.00000
252 -0.0213 0.00000
253 0.0159 0.00000
254 0.0065 0.00000
255 0.0006 0.00000
256 0.2978 0.00000
257 0.0119 0.00000
258 0.2476 0.00000
259 0.0190 0.00000
260 0.0306 0.00000
261 0.0221 0.00000
262 0.0049 0.00000
263 -0.0265 0.00000
264 0.0685 0.00000
265 0.0531 0.00000
266 0.0255 0.00000
267 0.0319 0.00000
268 0.0240 0.00000
269 0.0074 0.00000
270 0.0436 0.00000
271 0.0215 0.00000
272 0.0847 0.00000
273 0.1823 0.00000
274 -0.1419 0.00000
275 0.0137 0.00000
276 0.0618 0.00000
277 0.0889 0.00000
278 0.0880 0.00000
279 0.0161 0.00000
280 0.2540 0.00000
281 -0.0259 0.00000
282 0.0084 0.00000
283 -0.0076 0.00000
284 0.0387 0.00000
285 0.2119 0.00000
286 -0.0129 0.00000
287 0.0710 0.00000
288 0.0796 0.00000
289 0.0631 0.00000
290 0.0456 0.00000
291 0.0370 0.00000
292 0.0327 0.00000
293 0.0376 0.00000
294 0.0439 0.00000
295 0.0352 0.00000
296 0.0546 0.00000
297 0.0264 0.00000
298 0.0838 0.00000
299 0.2236 0.00000
300 0.0901 0.00000
301 0.0339 0.00000
302 0.0677 0.00000
303 0.0701 0.00000
304 0.0089 0.00000
305 0.0975 0.00000
306 0.1633 0.00000
307 0.0866 0.00000
308 0.0518 0.00000
309 -0.0012 0.00000
310 0.0112 0.00000
311 0.1134 0.00000
312 0.0909 0.00000
313 0.0729 0.00000
314 0.0034 0.00000
315 0.1091 0.00000
316 0.1494 0.00000
317 0.0246 0.00000
318 0.0650 0.00000
319 0.0630 0.00000
320 0.0327 0.00000
321 0.0161 0.00000
322 0.1976 0.00000
323 0.0296 0.00000
324 0.1233 0.00000
325 0.0560 0.00000
326 0.0647 0.00000
327 -0.0850 0.00000
328 0.0442 0.00000
329 0.0063 0.00000
330 0.0306 0.00000
331 0.0480 0.00000
332 0.0491 0.00000
333 -0.0227 0.00000
334 0.0117 0.00000
335 0.0571 0.00000
336 -0.0021 0.00000
337 -0.0169 0.00000
338 -0.0650 0.00000
339 0.0762 0.00000
340 0.0005 0.00000
341 0.0120 0.00000
342 0.0403 0.00000
343 0.0186 0.00000
344 0.0074 0.00000
345 0.0339 0.00000
346 -0.0194 0.00000
347 0.0309 0.00000
348 -0.0057 0.00000
349 -0.0130 0.00000
350 -0.0390 0.00000
351 -0.0226 0.00000
352 0.0107 0.00000
353 -0.1101 0.00000
354 -0.0769 0.00000
355 -0.0008 0.00000
356 -0.0778 0.00000
357 0.0062 0.00000
358 0.0011 0.00000
359 -0.0664 0.00000
360 0.0103 0.00000
361 0.0372 0.00000
362 -0.0479 0.00000
363 0.0041 0.00000
364 -0.0503 0.00000
365 -0.0486 0.00000
366 -0.0792 0.00000
367 -0.0595 0.00000
368 0.0215 0.00000
369 0.0221 0.00000
370 -0.0467 0.00000
371 0.1092 0.00000
372 0.0616 0.00000
373 -0.0085 0.00000
374 -0.0550 0.00000
375 0.0818 0.00000
376 0.0127 0.00000
377 -0.0095 0.00000
378 -0.0368 0.00000
379 -0.0062 0.00000
380 -0.0487 0.00000
381 0.0328 0.00000
382 -0.0301 0.00000
383 -0.0000 0.00000
384 0.0309 0.00000
385 -0.1525 0.00000
386 -0.0384 0.00000
387 0.0793 0.00000
388 -0.0649 0.00000
389 0.0155 0.00000
390 -0.0112 0.00000
391 -0.0073 0.00000
392 0.0110 0.00000
393 -0.0181 0.00000
394 -0.1081 0.00000
395 0.0252 0.00000
396 -0.0706 0.00000
397 -0.0429 0.00000
398 -0.0940 0.00000
399 -0.0051 0.00000
400 -0.0730 0.00000
401 -0.0412 0.00000
402 -0.1081 0.00000
403 -0.0189 0.00000
404 -0.0566 0.00000
405 -0.0380 0.00000
406 -0.1271 0.00000
407 -0.0278 0.00000
408 -0.0782 0.00000
409 -0.0264 0.00000
410 -0.0730 0.00000
411 -0.2218 0.00000
412 -0.0350 0.00000
413 -0.0691 0.00000
414 -0.0592 0.00000
415 0.0155 0.00000
416 -0.0230 0.00000
417 -0.0644 0.00000
418 -0.0445 0.00000
419 -0.0531 0.00000
420 -0.0376 0.00000
421 0.0047 0.00000
422 -0.0472 0.00000
423 0.0194 0.00000
424 0.0021 0.00000
425 0.0551 0.00000
426 -0.0937 0.00000
427 -0.0071 0.00000
428 -0.0030 0.00000
429 -0.0199 0.00000
430 -0.0238 0.00000
431 -0.0424 0.00000
432 -0.0213 0.00000
433 -0.0255 0.00000
434 -0.0473 0.00000
435 0.0541 0.00000
436 -0.0386 0.00000
437 -0.0491 0.00000
438 -0.0278 0.00000
439 -0.0241 0.00000
440 0.0077 0.00000
441 -0.0566 0.00000
442 -0.0533 0.00000
443 -0.0065 0.00000
444 -0.0646 0.00000
445 -0.0017 0.00000
446 -0.0055 0.00000
447 0.0070 0.00000
448 -0.1170 0.00000
449 0.0064 0.00000
450 -0.0048 0.00000
451 0.0167 0.00000
452 -0.0419 0.00000
453 -0.0167 0.00000
454 -0.0368 0.00000
455 -0.1114 0.00000
456 -0.0173 0.00000
457 0.0364 0.00000
458 -0.0122 0.00000
459 -0.0062 0.00000
460 -0.0278 0.00000
461 -0.0567 0.00000
462 -0.0096 0.00000
463 0.0525 0.00000
464 -0.0134 0.00000
465 -0.0632 0.00000
466 0.0202 0.00000
467 0.0082 0.00000
468 0.0066 0.00000
469 -0.0034 0.00000
470 -0.0807 0.00000
471 -0.0654 0.00000
472 -0.0466 0.00000
473 -0.0293 0.00000
474 -0.0235 0.00000
475 0.0154 0.00000
476 0.0047 0.00000
477 0.0297 0.00000
478 -0.0470 0.00000
479 -0.0021 0.00000
480 -0.0178 0.00000
481 0.0566 0.00000
482 -0.0360 0.00000
483 -0.0093 0.00000
484 -0.0048 0.00000
485 -0.0366 0.00000
486 0.2245 0.00000
487 -0.0178 0.00000
488 0.0344 0.00000
489 -0.0273 0.00000
490 0.0165 0.00000
491 0.0157 0.00000
492 0.0017 0.00000
493 -0.0145 0.00000
494 0.0117 0.00000
495 0.0132 0.00000
496 -0.0452 0.00000
497 -0.0087 0.00000
498 -0.0091 0.00000
499 -0.0931 0.00000
500 0.0485 0.00000
501 -0.0272 0.00000
502 -0.0023 0.00000
503 0.0202 0.00000
504 -0.0543 0.00000
505 -0.0359 0.00000
506 -0.0495 0.00000
507 0.0126 0.00000
508 -0.0369 0.00000
509 -0.0083 0.00000
510 -0.1705 0.00000
511 -0.0178 0.00000
512 0.0188 0.00000
513 -0.0160 0.00000
514 -0.0276 0.00000
515 0.0011 0.00000
516 -0.0369 0.00000
517 0.0194 0.00000
518 -0.0143 0.00000
519 0.0009 0.00000
520 -0.0275 0.00000
521 -0.0497 0.00000
522 -0.0688 0.00000
523 -0.1114 0.00000
524 0.0115 0.00000
525 -0.0115 0.00000
526 -0.0787 0.00000
527 -0.0282 0.00000
528 -0.1447 0.00000
529 -0.2017 0.00000
530 -0.0067 0.00000
531 -0.1027 0.00000
532 -0.0229 0.00000
533 -0.0127 0.00000
534 -0.0473 0.00000
535 -0.0579 0.00000
536 -0.0996 0.00000
537 -0.2623 0.00000
538 -0.0057 0.00000
539 -0.0426 0.00000
540 -0.0056 0.00000
541 -0.0365 0.00000
542 -0.0511 0.00000
543 -0.1571 0.00000
544 -0.0957 0.00000
545 -0.0331 0.00000
546 -0.0571 0.00000
547 0.0786 0.00000
548 -0.0143 0.00000
549 -0.0516 0.00000
550 -0.0581 0.00000
551 -0.0657 0.00000
552 0.0354 0.00000
553 0.0063 0.00000
554 0.0030 0.00000
555 -0.0242 0.00000
556 -0.0339 0.00000
557 0.0045 0.00000
558 0.0121 0.00000
559 -0.0676 0.00000
560 0.0510 0.00000
561 -0.0657 0.00000
562 -0.0213 0.00000
563 0.0340 0.00000
564 0.1011 0.00000
565 0.0765 0.00000
566 0.0346 0.00000
567 -0.0380 0.00000
568 0.0010 0.00000
569 -0.0133 0.00000
570 0.0018 0.00000
571 0.0636 0.00000
572 0.1013 0.00000
573 0.0508 0.00000
574 -0.0813 0.00000
575 0.0070 0.00000
576 -0.0380 0.00000
577 -0.0083 0.00000
578 -0.0408 0.00000
579 -0.0156 0.00000
580 0.0064 0.00000
581 -0.0345 0.00000
582 -0.0224 0.00000
583 -0.0178 0.00000
584 -0.0747 0.00000
585 -0.0454 0.00000
586 -0.0437 0.00000
587 0.1104 0.00000
588 -0.0440 0.00000
589 0.0846 0.00000
590 -0.0493 0.00000
591 -0.0018 0.00000
592 -0.0238 0.00000
593 -0.0047 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0610 0.00000
597 0.0551 0.00000
598 0.0467 0.00000
599 0.0795 0.00000
600 0.0215 0.00000
601 -0.1306 0.00000
602 0.0162 0.00000
603 0.0886 0.00000
604 0.1658 0.00000
605 0.0447 0.00000
606 -0.0076 0.00000
607 0.0023 0.00000
608 0.0286 0.00000
609 0.0407 0.00000
610 0.0051 0.00000
611 0.0574 0.00000
612 0.0223 0.00000
613 0.0231 0.00000
614 0.2226 0.00000
615 0.0364 0.00000
616 0.3678 0.00000
617 0.0343 0.00000
618 0.0299 0.00000
619 -0.0053 0.00000
620 0.0452 0.00000
621 0.0503 0.00000
622 0.0726 0.00000
623 0.0861 0.00000
624 0.1281 0.00000
625 0.0138 0.00000
626 0.0993 0.00000
627 0.0010 0.00000
628 0.0551 0.00000
629 0.0319 0.00000
630 -0.0714 0.00000
631 0.0197 0.00000
632 -0.0398 0.00000
633 0.0364 0.00000
634 0.0304 0.00000
635 0.0569 0.00000
636 0.0640 0.00000
637 0.0055 0.00000
638 0.0168 0.00000
639 0.0802 0.00000
640 0.0206 0.00000
641 -0.0320 0.00000
642 0.0510 0.00000
643 0.0056 0.00000
644 -0.0022 0.00000
645 0.0086 0.00000
646 0.0185 0.00000
647 0.0414 0.00000
648 0.0332 0.00000
649 -0.0274 0.00000
650 -0.0194 0.00000
651 0.0241 0.00000
652 0.0592 0.00000
653 -0.0223 0.00000
654 -0.0004 0.00000
655 0.0252 0.00000
656 0.0062 0.00000
657 0.0384 0.00000
658 0.0066 0.00000
659 0.0105 0.00000
660 0.0559 0.00000
661 -0.0366 0.00000
662 0.0595 0.00000
663 0.0830 0.00000
664 0.0091 0.00000
665 -0.0501 0.00000
666 0.0085 0.00000
667 -0.0203 0.00000
668 0.0443 0.00000
669 -0.0124 0.00000
670 0.0051 0.00000
671 0.0319 0.00000
672 -0.0162 0.00000
673 -0.0006 0.00000
674 0.0145 0.00000
675 0.0271 0.00000
676 0.0556 0.00000
677 0.0304 0.00000
678 -0.0025 0.00000
679 -0.0054 0.00000
680 0.0030 0.00000
681 -0.0422 0.00000
682 -0.0198 0.00000
683 0.0118 0.00000
684 0.0658 0.00000
685 0.0049 0.00000
686 0.0078 0.00000
687 0.0041 0.00000
688 -0.0238 0.00000
689 -0.0086 0.00000
690 -0.0056 0.00000
691 -0.0461 0.00000
692 -0.0161 0.00000
693 -0.0653 0.00000
694 -0.0483 0.00000
695 -0.0058 0.00000
696 -0.0712 0.00000
697 -0.0231 0.00000
698 0.0533 0.00000
699 0.0071 0.00000
700 -0.0481 0.00000
701 0.0237 0.00000
702 -0.0051 0.00000
703 -0.0028 0.00000
704 -0.0317 0.00000
705 -0.0243 0.00000
706 0.0843 0.00000
707 -0.0157 0.00000
708 -0.0577 0.00000
709 -0.0411 0.00000
710 0.0008 0.00000
711 -0.0149 0.00000
712 -0.0143 0.00000
713 0.0130 0.00000
714 -0.0026 0.00000
715 -0.0027 0.00000
716 -0.0512 0.00000
717 0.0084 0.00000
718 -0.0167 0.00000
719 0.1108 0.00000
720 -0.0156 0.00000
721 0.0410 0.00000
722 0.0733 0.00000
723 0.0592 0.00000
724 0.0430 0.00000
725 0.0120 0.00000
726 -0.0102 0.00000
727 0.0148 0.00000
728 0.0604 0.00000
729 0.0223 0.00000
730 0.0054 0.00000
731 -0.0082 0.00000
732 0.0336 0.00000
733 -0.0735 0.00000
734 0.0044 0.00000
735 0.0240 0.00000
736 -0.0075 0.00000
737 -0.0097 0.00000
738 -0.0188 0.00000
739 0.0617 0.00000
740 0.0840 0.00000
741 0.0257 0.00000
742 -0.0165 0.00000
743 0.0372 0.00000
744 -0.0542 0.00000
745 -0.0011 0.00000
746 -0.0129 0.00000
747 0.1058 0.00000
748 -0.0136 0.00000
749 0.0162 0.00000
750 -0.0117 0.00000
751 -0.0028 0.00000
752 0.0892 0.00000
753 0.0346 0.00000
754 0.0044 0.00000
755 -0.0038 0.00000
756 0.0432 0.00000
757 0.0085 0.00000
758 -0.0093 0.00000
759 0.0154 0.00000
760 -0.0512 0.00000
761 -0.0183 0.00000
762 0.0486 0.00000
763 -0.0266 0.00000
764 0.0187 0.00000
765 0.0448 0.00000
766 0.0021 0.00000
767 0.0409 0.00000
768 -0.0358 0.00000
769 -0.0038 0.00000
770 -0.0189 0.00000
771 -0.0154 0.00000
772 -0.0114 0.00000
773 0.0209 0.00000
774 0.0176 0.00000
775 -0.0254 0.00000
776 0.0309 0.00000
777 0.0185 0.00000
778 0.0061 0.00000
779 0.0316 0.00000
780 -0.0370 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0585 0.00000
5 -0.4347 0.00000
6 -0.1456 0.00000
7 0.0243 0.00000
8 -0.0568 0.00000
9 -0.6504 0.00000
10 -0.2776 0.00000
11 -0.0191 0.00000
12 -0.0133 0.00000
13 -0.0163 0.00000
14 0.0765 0.00000
15 0.0312 0.00000
16 0.0482 0.00000
17 -0.1262 0.00000
18 -0.1923 0.00000
19 0.0205 0.00000
20 0.0048 0.00000
21 -0.0368 0.00000
22 -0.0786 0.00000
23 -0.0421 0.00000
24 0.0253 0.00000
25 -0.1291 0.00000
26 0.0967 0.00000
27 0.1277 0.00000
28 0.1533 0.00000
29 -0.0556 0.00000
30 -0.0277 0.00000
31 0.0832 0.00000
32 0.1973 0.00000
33 0.0683 0.00000
34 0.0290 0.00000
35 0.0135 0.00000
36 -0.1411 0.00000
37 0.0910 0.00000
38 -0.0954 0.00000
39 0.1158 0.00000
40 -0.0045 0.00000
41 -0.1696 0.00000
42 -0.0241 0.00000
43 0.1703 0.00000
44 -0.1046 0.00000
45 -0.0776 0.00000
46 -0.0339 0.00000
47 0.0247 0.00000
48 -0.0943 0.00000
49 -0.1947 0.00000
50 -0.0584 0.00000
51 0.1241 0.00000
52 -0.1384 0.00000
53 0.0077 0.00000
54 -0.0051 0.00000
55 -0.0042 0.00000
56 -0.2588 0.00000
57 0.0155 0.00000
58 -0.1467 0.00000
59 -0.2046 0.00000
60 -0.1337 0.00000
61 -0.0036 0.00000
62 -0.0201 0.00000
63 -0.1342 0.00000
64 -0.2366 0.00000
65 -0.2528 0.00000
66 -0.0731 0.00000
67 -0.2168 0.00000
68 -0.0982 0.00000
69 0.0196 0.00000
70 0.0136 0.00000
71 -0.1506 0.00000
72 -0.0490 0.00000
73 -0.0356 0.00000
74 -0.0153 0.00000
75 -0.0080 0.00000
76 0.0332 0.00000
77 0.0110 0.00000
78 -0.1236 0.00000
79 -0.0695 0.00000
80 -0.0105 0.00000
81 -0.0638 0.00000
82 0.1864 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0207 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0940 0.00000
90 0.0748 0.00000
91 0.0248 0.00000
92 0.0757 0.00000
93 0.0023 0.00000
94 -0.0656 0.00000
95 0.0037 0.00000
96 -0.0020 0.00000
97 0.0270 0.00000
98 0.1635 0.00000
99 0.2230 0.00000
100 -0.0859 0.00000
101 0.2058 0.00000
102 0.7102 0.00000
103 0.0969 0.00000
104 0.1788 0.00000
105 0.1545 0.00000
106 0.0169 0.00000
107 0.0531 0.00000
108 0.0538 0.00000
109 0.1916 0.00000
110 0.0849 0.00000
111 0.2991 0.00000
112 0.1440 0.00000
113 0.2236 0.00000
114 0.0368 0.00000
115 -0.0545 0.00000
116 -0.0114 0.00000
117 -0.0428 0.00000
118 0.0388 0.00000
119 -0.0428 0.00000
120 0.0716 0.00000
121 0.6533 0.00000
122 0.0390 0.00000
123 0.2899 0.00000
124 0.1238 0.00000
125 0.0897 0.00000
126 0.0564 0.00000
127 -0.0412 0.00000
128 -0.0026 0.00000
129 0.0546 0.00000
130 0.0675 0.00000
131 0.2932 0.00000
132 -0.0051 0.00000
133 -0.0209 0.00000
134 0.0870 0.00000
135 -0.0396 0.00000
136 0.0204 0.00000
137 -0.0868 0.00000
138 -0.0943 0.00000
139 0.1384 0.00000
140 0.0120 0.00000
141 0.0389 0.00000
142 -0.0571 0.00000
143 0.0353 0.00000
144 -0.0062 0.00000
145 -0.0392 0.00000
146 -0.0482 0.00000
147 -0.0364 0.00000
148 0.0598 0.00000
149 -0.3722 0.00000
150 0.1159 0.00000
151 -0.0971 0.00000
152 -0.0250 0.00000
153 -0.0834 0.00000
154 -0.2099 0.00000
155 -0.0703 0.00000
156 0.0187 0.00000
157 -0.0342 0.00000
158 0.0406 0.00000
159 0.0589 0.00000
160 -0.0131 0.00000
161 -0.0359 0.00000
162 -0.0422 0.00000
163 -0.0297 0.00000
164 0.1268 0.00000
165 0.0026 0.00000
166 0.0036 0.00000
167 -0.0333 0.00000
168 -0.0138 0.00000
169 0.0184 0.00000
170 0.0187 0.00000
171 0.0227 0.00000
172 0.0682 0.00000
173 0.0194 0.00000
174 -0.0368 0.00000
175 0.0025 0.00000
176 0.0148 0.00000
177 -0.0211 0.00000
178 -0.0213 0.00000
179 -0.0153 0.00000
180 -0.0362 0.00000
181 -0.0071 0.00000
182 -0.0276 0.00000
183 -0.0020 0.00000
184 0.0327 0.00000
185 0.0279 0.00000
186 0.0268 0.00000
187 -0.0750 0.00000
188 0.0089 0.00000
189 -0.0031 0.00000
190 -0.0613 0.00000
191 0.0174 0.00000
192 -0.0195 0.00000
193 -0.0979 0.00000
194 -0.0458 0.00000
195 -0.0237 0.00000
196 -0.0129 0.00000
197 -0.0024 0.00000
198 -0.0294 0.00000
199 -0.0436 0.00000
200 -0.0289 0.00000
201 -0.1033 0.00000
202 -0.0132 0.00000
203 -0.0633 0.00000
204 -0.1209 0.00000
205 -0.1469 0.00000
206 -0.2394 0.00000
207 -0.1406 0.00000
208 0.0072 0.00000
209 -0.0614 0.00000
210 -0.0228 0.00000
211 0.0014 0.00000
212 -0.1445 0.00000
213 -0.0489 0.00000
214 -0.0601 0.00000
215 -0.0613 0.00000
216 -0.0360 0.00000
217 -0.0937 0.00000
218 -0.0172 0.00000
219 0.0064 0.00000
220 0.0225 0.00000
221 -0.0058 0.00000
222 -0.0139 0.00000
223 -0.0338 0.00000
224 -0.0245 0.00000
225 -0.1228 0.00000
226 -0.1175 0.00000
227 -0.0101 0.00000
228 -0.0128 0.00000
229 -0.1425 0.00000
230 0.0630 0.00000
231 0.0544 0.00000
232 -0.0178 0.00000
233 -0.0221 0.00000
234 0.0064 0.00000
235 0.0262 0.00000
236 0.0259 0.00000
237 0.0348 0.00000
238 0.0477 0.00000
239 0.0103 0.00000
240 0.0283 0.00000
241 0.0567 0.00000
242 -0.0987 0.00000
243 -0.0173 0.00000
244 0.0239 0.00000
245 -0.0342 0.00000
246 -0.2092 0.00000
247 -0.4690 0.00000
248 -0.5422 0.00000
249 0.0061 0.00000
250 -0.1392 0.00000
251 -0.0130 0.00000
252 -0.0704 0.00000
253 -0.0169 0.00000
254 0.0259 0.00000
255 0.1000 0.00000
256 0.2257 0.00000
257 0.0001 0.00000
258 0.1643 0.00000
259 0.0769 0.00000
260 0.0244 0.00000
261 0.0346 0.00000
262 0.0278 0.00000
263 0.0253 0.00000
264 0.0949 0.00000
265 0.0233 0.00000
266 0.0178 0.00000
267 -0.0023 0.00000
268 -0.0001 0.00000
269 0.0434 0.00000
270 -0.0099 0.00000
271 0.0603 0.00000
272 0.0131 0.00000
273 0.2234 0.00000
274 -0.0698 0.00000
275 0.2164 0.00000
276 0.0319 0.00000
277 -0.0216 0.00000
278 -0.0380 0.00000
279 0.0841 0.00000
280 0.0030 0.00000
281 0.1337 0.00000
282 0.0027 0.00000
283 0.0576 0.00000
284 0.1445 0.00000
285 0.0215 0.00000
286 0.0211 0.00000
287 -0.0070 0.00000
288 0.0438 0.00000
289 0.1123 0.00000
290 0.0999 0.00000
291 0.0624 0.00000
292 0.0458 0.00000
293 0.2341 0.00000
294 0.0092 0.00000
295 -0.0213 0.00000
296 0.0140 0.00000
297 0.0145 0.00000
298 0.0470 0.00000
299 0.0907 0.00000
300 0.0804 0.00000
301 0.1346 0.00000
302 0.0360 0.00000
303 0.1255 0.00000
304 0.0923 0.00000
305 0.0692 0.00000
306 0.0178 0.00000
307 0.0283 0.00000
308 0.1193 0.00000
309 0.0278 0.00000
310 0.0395 0.00000
311 0.2835 0.00000
312 0.0358 0.00000
313 0.0796 0.00000
314 0.0543 0.00000
315 0.0542 0.00000
316 0.0980 0.00000
317 0.0197 0.00000
318 0.1573 0.00000
319 0.0680 0.00000
320 0.0798 0.00000
321 0.0309 0.00000
322 0.0125 0.00000
323 0.1297 0.00000
324 -0.0000 0.00000
325 0.0078 0.00000
326 0.0031 0.00000
327 0.0362 0.00000
328 -0.0009 0.00000
329 0.0214 0.00000
330 -0.0019 0.00000
331 0.0651 0.00000
332 0.0868 0.00000
333 -0.0349 0.00000
334 0.0337 0.00000
335 -0.0273 0.00000
336 0.0048 0.00000
337 -0.0236 0.00000
338 -0.0014 0.00000
339 0.0015 0.00000
340 0.0468 0.00000
341 0.1580 0.00000
342 0.0005 0.00000
343 -0.0100 0.00000
344 0.0087 0.00000
345 -0.0122 0.00000
346 -0.0731 0.00000
347 0.0200 0.00000
348 0.0152 0.00000
349 -0.0051 0.00000
350 0.0142 0.00000
351 -0.0099 0.00000
352 -0.0245 0.00000
353 -0.0720 0.00000
354 -0.0686 0.00000
355 -0.0153 0.00000
356 -0.0184 0.00000
357 -0.0498 0.00000
358 -0.0197 0.00000
359 -0.0392 0.00000
360 0.0363 0.00000
361 -0.0013 0.00000
362 -0.0138 0.00000
363 -0.0025 0.00000
364 -0.0454 0.00000
365 -0.0958 0.00000
366 0.0207 0.00000
367 0.0127 0.00000
368 -0.0290 0.00000
369 -0.0063 0.00000
370 -0.0243 0.00000
371 0.0735 0.00000
372 -0.0350 0.00000
373 -0.0280 0.00000
374 0.0433 0.00000
375 0.0375 0.00000
376 0.0298 0.00000
377 0.0031 0.00000
378 -0.0113 0.00000
379 -0.0212 0.00000
380 -0.0313 0.00000
381 0.0308 0.00000
382 -0.0258 0.00000
383 -0.0198 0.00000
384 -0.1243 0.00000
385 0.0213 0.00000
386 -0.0048 0.00000
387 -0.0476 0.00000
388 -0.0105 0.00000
389 0.0078 0.00000
390 0.0294 0.00000
391 -0.0648 0.00000
392 -0.0594 0.00000
393 0.0090 0.00000
394 -0.1131 0.00000
395 0.0151 0.00000
396 -0.0600 0.00000
397 -0.0269 0.00000
398 -0.0340 0.00000
399 -0.0255 0.00000
400 -0.0410 0.00000
401 -0.0227 0.00000
402 -0.0631 0.00000
403 -0.0649 0.00000
404 -0.0891 0.00000
405 -0.0198 0.00000
406 -0.0959 0.00000
407 -0.2019 0.00000
408 -0.1081 0.00000
409 -0.0218 0.00000
410 -0.0214 0.00000
411 -0.1559 0.00000
412 -0.0612 0.00000
413 0.0054 0.00000
414 -0.1116 0.00000
415 -0.0354 0.00000
416 -0.0019 0.00000
417 -0.0037 0.00000
418 -0.0363 0.00000
419 -0.0618 0.00000
420 -0.0046 0.00000
421 -0.1024 0.00000
422 0.0171 0.00000
423 0.0335 0.00000
424 -0.0462 0.00000
425 0.0096 0.00000
426 -0.0277 0.00000
427 -0.0424 0.00000
428 0.0072 0.00000
429 -0.0093 0.00000
430 -0.0238 0.00000
431 -0.0331 0.00000
432 -0.0604 0.00000
433 -0.0332 0.00000
434 0.0261 0.00000
435 0.0188 0.00000
436 -0.1130 0.00000
437 0.0164 0.00000
438 0.0230 0.00000
439 -0.0124 0.00000
440 -0.0395 0.00000
441 -0.0516 0.00000
442 -0.0028 0.00000
443 -0.0067 0.00000
444 -0.0545 0.00000
445 -0.0277 0.00000
446 0.0298 0.00000
447 -0.0797 0.00000
448 -0.0580 0.00000
449 -0.0598 0.00000
450 -0.0144 0.00000
451 -0.0307 0.00000
452 -0.0018 0.00000
453 -0.0595 0.00000
454 -0.0298 0.00000
455 -0.0356 0.00000
456 -0.0562 0.00000
457 0.0043 0.00000
458 -0.0272 0.00000
459 0.0083 0.00000
460 -0.0321 0.00000
461 -0.0408 0.00000
462 -0.0045 0.00000
463 0.0255 0.00000
464 0.0120 0.00000
465 -0.0593 0.00000
466 0.0045 0.00000
467 0.0174 0.00000
468 0.0076 0.00000
469 -0.0252 0.00000
470 -0.0215 0.00000
471 0.0035 0.00000
472 -0.0330 0.00000
473 0.0275 0.00000
474 -0.0424 0.00000
475 -0.0236 0.00000
476 -0.0200 0.00000
477 0.0181 0.00000
478 0.0178 0.00000
479 -0.0151 0.00000
480 0.0653 0.00000
481 0.0101 0.00000
482 -0.0044 0.00000
483 0.1155 0.00000
484 0.0358 0.00000
485 0.0152 0.00000
486 0.0047 0.00000
487 0.0342 0.00000
488 -0.0264 0.00000
489 0.0029 0.00000
490 0.0116 0.00000
491 -0.0646 0.00000
492 0.0098 0.00000
493 -0.0203 0.00000
494 -0.0049 0.00000
495 -0.0730 0.00000
496 0.0083 0.00000
497 -0.0805 0.00000
498 0.0008 0.00000
499 -0.0057 0.00000
500 0.0141 0.00000
501 -0.0302 0.00000
502 -0.0130 0.00000
503 -0.0054 0.00000
504 -0.0124 0.00000
505 -0.0312 0.00000
506 -0.0102 0.00000
507 -0.0498 0.00000
508 -0.0422 0.00000
509 -0.0195 0.00000
510 -0.0525 0.00000
511 -0.0773 0.00000
512 -0.0136 0.00000
513 -0.0283 0.00000
514 -0.0041 0.00000
515 -0.0345 0.00000
516 -0.0282 0.00000
517 -0.0794 0.00000
518 -0.0120 0.00000
519 -0.0576 0.00000
520 -0.0413 0.00000
521 -0.0040 0.00000
522 -0.0263 0.00000
523 -0.1198 0.00000
524 -0.0220 0.00000
525 -0.0649 0.00000
526 -0.0590 0.00000
527 -0.0930 0.00000
528 -0.0134 0.00000
529 -0.1386 0.00000
530 0.0144 0.00000
531 -0.0036 0.00000
532 -0.0149 0.00000
533 -0.1676 0.00000
534 -0.0146 0.00000
535 -0.0501 0.00000
536 -0.0476 0.00000
537 -0.0576 0.00000
538 -0.2026 0.00000
539 -0.0639 0.00000
540 -0.0239 0.00000
541 0.0115 0.00000
542 -0.0378 0.00000
543 -0.2340 0.00000
544 0.0376 0.00000
545 -0.0437 0.00000
546 0.0070 0.00000
547 0.0079 0.00000
548 0.0242 0.00000
549 -0.0974 0.00000
550 -0.0507 0.00000
551 0.0068 0.00000
552 -0.0596 0.00000
553 -0.0000 0.00000
554 -0.0395 0.00000
555 -0.0318 0.00000
556 -0.0569 0.00000
557 -0.0429 0.00000
558 -0.0327 0.00000
559 0.0082 0.00000
560 0.0073 0.00000
561 -0.0747 0.00000
562 0.0241 0.00000
563 0.0125 0.00000
564 0.1003 0.00000
565 0.0113 0.00000
566 0.0574 0.00000
567 0.0153 0.00000
568 -0.0091 0.00000
569 0.0011 0.00000
570 0.0811 0.00000
571 0.0368 0.00000
572 0.0126 0.00000
573 -0.0289 0.00000
574 -0.0510 0.00000
575 0.0861 0.00000
576 -0.0041 0.00000
577 -0.0278 0.00000
578 0.0155 0.00000
579 -0.0084 0.00000
580 -0.0085 0.00000
581 -0.0350 0.00000
582 -0.0516 0.00000
583 -0.0145 0.00000
584 -0.0678 0.00000
585 -0.0513 0.00000
586 -0.0417 0.00000
587 0.1193 0.00000
588 -0.0498 0.00000
589 0.0850 0.00000
590 -0.0397 0.00000
591 -0.0119 0.00000
592 -0.0199 0.00000
593 -0.0064 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0612 0.00000
597 0.0552 0.00000
598 0.0667 0.00000
599 0.0889 0.00000
600 -0.0736 0.00000
601 0.0539 0.00000
602 0.0895 0.00000
603 -0.0398 0.00000
604 -0.0503 0.00000
605 0.0547 0.00000
606 0.0345 0.00000
607 0.0747 0.00000
608 0.0723 0.00000
609 0.0979 0.00000
610 0.0308 0.00000
611 0.0602 0.00000
612 0.0632 0.00000
613 -0.0285 0.00000
614 0.0386 0.00000
615 0.0583 0.00000
616 0.0745 0.00000
617 -0.0386 0.00000
618 0.0696 0.00000
619 0.0719 0.00000
620 0.1071 0.00000
621 0.0427 0.00000
622 0.2672 0.00000
623 0.0403 0.00000
624 0.0370 0.00000
625 0.0496 0.00000
626 0.0007 0.00000
627 0.0231 0.00000
628 0.1347 0.00000
629 0.0261 0.00000
630 0.0282 0.00000
631 0.2021 0.00000
632 -0.0149 0.00000
633 0.0152 0.00000
634 0.1328 0.00000
635 0.0268 0.00000
636 0.0121 0.00000
637 0.0674 0.00000
638 -0.0487 0.00000
639 0.0389 0.00000
640 -0.0245 0.00000
641 0.0180 0.00000
642 -0.0065 0.00000
643 0.0394 0.00000
644 0.0597 0.00000
645 0.0626 0.00000
646 0.0107 0.00000
647 0.0135 0.00000
648 0.0055 0.00000
649 0.0159 0.00000
650 0.0410 0.00000
651 -0.0077 0.00000
652 0.0206 0.00000
653 0.0003 0.00000
654 -0.0199 0.00000
655 -0.0246 0.00000
656 0.0147 0.00000
657 -0.0306 0.00000
658 -0.0219 0.00000
659 0.0444 0.00000
660 -0.0046 0.00000
661 0.0412 0.00000
662 0.0250 0.00000
663 0.0275 0.00000
664 -0.0312 0.00000
665 -0.0786 0.00000
666 0.0153 0.00000
667 -0.0010 0.00000
668 0.0200 0.00000
669 -0.0064 0.00000
670 0.0252 0.00000
671 0.0066 0.00000
672 0.0132 0.00000
673 -0.0382 0.00000
674 0.0088 0.00000
675 0.0274 0.00000
676 0.0374 0.00000
677 0.0408 0.00000
678 -0.0212 0.00000
679 0.0095 0.00000
680 -0.0272 0.00000
681 0.0346 0.00000
682 -0.0142 0.00000
683 0.0078 0.00000
684 0.0117 0.00000
685 -0.0420 0.00000
686 -0.0693 0.00000
687 -0.0508 0.00000
688 0.0510 0.00000
689 -0.0386 0.00000
690 0.0153 0.00000
691 0.0616 0.00000
692 0.0048 0.00000
693 0.0061 0.00000
694 0.0233 0.00000
695 -0.0081 0.00000
696 -0.0155 0.00000
697 0.0337 0.00000
698 0.0116 0.00000
699 0.0042 0.00000
700 0.0093 0.00000
701 0.0203 0.00000
702 -0.0538 0.00000
703 -0.0278 0.00000
704 -0.0442 0.00000
705 0.0142 0.00000
706 0.0171 0.00000
707 -0.0240 0.00000
708 -0.0434 0.00000
709 0.0212 0.00000
710 -0.0262 0.00000
711 -0.0089 0.00000
712 0.0021 0.00000
713 -0.0359 0.00000
714 0.0496 0.00000
715 0.0162 0.00000
716 -0.0359 0.00000
717 0.0045 0.00000
718 0.0313 0.00000
719 -0.0060 0.00000
720 0.0262 0.00000
721 0.0270 0.00000
722 0.0165 0.00000
723 -0.0378 0.00000
724 0.0215 0.00000
725 0.0583 0.00000
726 0.0931 0.00000
727 -0.0018 0.00000
728 -0.0013 0.00000
729 0.0610 0.00000
730 0.0823 0.00000
731 0.0076 0.00000
732 -0.1508 0.00000
733 -0.0879 0.00000
734 -0.0108 0.00000
735 -0.1045 0.00000
736 -0.0013 0.00000
737 0.0513 0.00000
738 0.0524 0.00000
739 0.0180 0.00000
740 0.0327 0.00000
741 0.0197 0.00000
742 0.0173 0.00000
743 0.0001 0.00000
744 0.0436 0.00000
745 0.0510 0.00000
746 0.0628 0.00000
747 0.0421 0.00000
748 0.0411 0.00000
749 -0.0137 0.00000
750 0.0012 0.00000
751 0.0033 0.00000
752 -0.0183 0.00000
753 0.0119 0.00000
754 0.0435 0.00000
755 0.0988 0.00000
756 -0.0007 0.00000
757 -0.0142 0.00000
758 -0.0066 0.00000
759 -0.0014 0.00000
760 0.0762 0.00000
761 -0.0018 0.00000
762 0.0152 0.00000
763 -0.0201 0.00000
764 0.0081 0.00000
765 -0.0170 0.00000
766 0.0239 0.00000
767 -0.0003 0.00000
768 0.0033 0.00000
769 0.0032 0.00000
770 -0.0043 0.00000
771 0.0420 0.00000
772 0.0535 0.00000
773 0.0427 0.00000
774 0.0147 0.00000
775 -0.0054 0.00000
776 -0.0330 0.00000
777 0.0086 0.00000
778 0.0017 0.00000
779 0.0327 0.00000
780 0.0370 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0628 0.00000
4 -0.0525 0.00000
5 -0.4415 0.00000
6 -0.1419 0.00000
7 0.0213 0.00000
8 -0.0564 0.00000
9 -0.6499 0.00000
10 -0.2821 0.00000
11 -0.0195 0.00000
12 -0.0087 0.00000
13 -0.0161 0.00000
14 0.0758 0.00000
15 0.0312 0.00000
16 0.0092 0.00000
17 -0.2703 0.00000
18 -0.0000 0.00000
19 0.0118 0.00000
20 0.0042 0.00000
21 -0.0368 0.00000
22 -0.0817 0.00000
23 -0.0406 0.00000
24 0.0212 0.00000
25 -0.1200 0.00000
26 0.1342 0.00000
27 0.0747 0.00000
28 0.1608 0.00000
29 -0.0358 0.00000
30 -0.0314 0.00000
31 0.0457 0.00000
32 0.2164 0.00000
33 0.0186 0.00000
34 0.0744 0.00000
35 -0.0013 0.00000
36 -0.0973 0.00000
37 0.1015 0.00000
38 -0.0765 0.00000
39 -0.0786 0.00000
40 0.1231 0.00000
41 -0.1729 0.00000
42 -0.0119 0.00000
43 0.1701 0.00000
44 -0.0571 0.00000
45 -0.1934 0.00000
46 0.0570 0.00000
47 -0.0275 0.00000
48 -0.0491 0.00000
49 -0.0315 0.00000
50 -0.2247 0.00000
51 0.1326 0.00000
52 -0.1394 0.00000
53 0.0157 0.00000
54 -0.0021 0.00000
55 0.0021 0.00000
56 -0.2771 0.00000
57 0.0092 0.00000
58 -0.1856 0.00000
59 -0.1206 0.00000
60 -0.1176 0.00000
61 -0.0331 0.00000
62 -0.0491 0.00000
63 -0.1677 0.00000
64 -0.1636 0.00000
65 -0.3046 0.00000
66 -0.0593 0.00000
67 -0.0952 0.00000
68 -0.2237 0.00000
69 0.0175 0.00000
70 0.0172 0.00000
71 -0.1527 0.00000
72 -0.0492 0.00000
73 -0.0362 0.00000
74 -0.0147 0.00000
75 -0.0276 0.00000
76 0.0538 0.00000
77 0.0025 0.00000
78 -0.1052 0.00000
79 -0.0818 0.00000
80 -0.0104 0.00000
81 -0.0637 0.00000
82 0.1866 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0207 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0943 0.00000
90 0.0732 0.00000
91 0.0459 0.00000
92 0.0603 0.00000
93 -0.0001 0.00000
94 -0.0649 0.00000
95 -0.0062 0.00000
96 0.0105 0.00000
97 0.0157 0.00000
98 0.1081 0.00000
99 0.1942 0.00000
100 0.1380 0.00000
101 0.0308 0.00000
102 0.7511 0.00000
103 0.0517 0.00000
104 0.2083 0.00000
105 0.1645 0.00000
106 0.0087 0.00000
107 -0.0477 0.00000
108 0.2273 0.00000
109 0.0650 0.00000
110 0.1743 0.00000
111 0.2763 0.00000
112 0.1578 0.00000
113 0.1878 0.00000
114 0.0717 0.00000
115 -0.0522 0.00000
116 -0.0320 0.00000
117 -0.0418 0.00000
118 0.0317 0.00000
119 0.0475 0.00000
120 -0.0004 0.00000
121 0.6621 0.00000
122 0.0632 0.00000
123 0.0724 0.00000
124 0.3184 0.00000
125 0.0766 0.00000
126 0.0652 0.00000
127 -0.0357 0.00000
128 -0.0227 0.00000
129 0.0477 0.00000
130 0.0963 0.00000
131 0.2141 0.00000
132 0.0365 0.00000
133 -0.0040 0.00000
134 0.0881 0.00000
135 -0.0391 0.00000
136 0.0350 0.00000
137 -0.1026 0.00000
138 -0.0891 0.00000
139 0.1232 0.00000
140 0.0192 0.00000
141 0.0394 0.00000
142 -0.0558 0.00000
143 0.0350 0.00000
144 -0.0016 0.00000
145 -0.0410 0.00000
146 -0.0481 0.00000
147 -0.0365 0.00000
148 0.0295 0.00000
149 -0.3478 0.00000
150 0.1772 0.00000
151 -0.2101 0.00000
152 0.0148 0.00000
153 -0.0604 0.00000
154 -0.2029 0.00000
155 -0.0188 0.00000
156 0.0155 0.00000
157 0.0063 0.00000
158 -0.0324 0.00000
159 -0.0340 0.00000
160 0.0120 0.00000
161 -0.0339 0.00000
162 0.0042 0.00000
163 0.0570 0.00000
164 -0.0322 0.00000
165 0.0652 0.00000
166 0.0432 0.00000
167 0.0054 0.00000
168 -0.0438 0.00000
169 0.0536 0.00000
170 -0.0271 0.00000
171 0.0085 0.00000
172 0.0275 0.00000
173 -0.0551 0.00000
174 -0.0053 0.00000
175 -0.0102 0.00000
176 0.0439 0.00000
177 0.0292 0.00000
178 -0.0380 0.00000
179 -0.0211 0.00000
180 0.0388 0.00000
181 -0.0397 0.00000
182 -0.0587 0.00000
183 0.0303 0.00000
184 0.0034 0.00000
185 0.0166 0.00000
186 0.0302 0.00000
187 0.0354 0.00000
188 -0.0209 0.00000
189 0.0070 0.00000
190 -0.0955 0.00000
191 -0.0045 0.00000
192 -0.0541 0.00000
193 -0.0622 0.00000
194 -0.1063 0.00000
195 -0.0346 0.00000
196 0.0477 0.00000
197 0.0055 0.00000
198 -0.0483 0.00000
199 -0.0430 0.00000
200 -0.0795 0.00000
201 -0.1129 0.00000
202 -0.0593 0.00000
203 0.0066 0.00000
204 -0.1814 0.00000
205 -0.0703 0.00000
206 -0.1428 0.00000
207 -0.0827 0.00000
208 -0.0037 0.00000
209 -0.2141 0.00000
210 -0.0419 0.00000
211 0.0227 0.00000
212 -0.0640 0.00000
213 -0.1616 0.00000
214 -0.0717 0.00000
215 -0.0098 0.00000
216 -0.0441 0.00000
217 -0.0119 0.00000
218 -0.0229 0.00000
219 -0.0256 0.00000
220 -0.0037 0.00000
221 0.0054 0.00000
222 -0.0164 0.00000
223 -0.0574 0.00000
224 -0.0160 0.00000
225 -0.1055 0.00000
226 -0.1169 0.00000
227 -0.0101 0.00000
228 -0.0131 0.00000
229 -0.1450 0.00000
230 0.0631 0.00000
231 0.0532 0.00000
232 -0.0203 0.00000
233 -0.0203 0.00000
234 0.0066 0.00000
235 0.0250 0.00000
236 0.0256 0.00000
237 0.0606 0.00000
238 0.0194 0.00000
239 0.0125 0.00000
240 0.0160 0.00000
241 0.0180 0.00000
242 -0.0629 0.00000
243 0.0574 0.00000
244 -0.0392 0.00000
245 -0.1285 0.00000
246 -0.2968 0.00000
247 -0.0548 0.00000
248 -0.5004 0.00000
249 -0.2139 0.00000
250 -0.2278 0.00000
251 -0.0252 0.00000
252 0.0233 0.00000
253 0.0189 0.00000
254 -0.0051 0.00000
255 -0.0150 0.00000
256 0.3359 0.00000
257 0.0241 0.00000
258 0.0017 0.00000
259 0.1212 0.00000
260 0.1002 0.00000
261 -0.0136 0.00000
262 0.0686 0.00000
263 0.0338 0.00000
264 0.0155 0.00000
265 0.0104 0.00000
266 0.0090 0.00000
267 0.0256 0.00000
268 -0.0008 0.00000
269 0.0016 0.00000
270 0.1304 0.00000
271 0.0546 0.00000
272 0.1543 0.00000
273 0.1043 0.00000
274 -0.0019 0.00000
275 -0.0144 0.00000
276 0.0063 0.00000
277 0.0154 0.00000
278 0.0244 0.00000
279 0.0232 0.00000
280 0.1550 0.00000
281 0.0016 0.00000
282 0.0750 0.00000
283 0.0761 0.00000
284 0.0833 0.00000
285 0.0674 0.00000
286 0.0080 0.00000
287 0.0021 0.00000
288 0.0411 0.00000
289 0.0079 0.00000
290 0.1016 0.00000
291 0.1104 0.00000
292 0.1452 0.00000
293 0.0493 0.00000
294 0.1051 0.00000
295 0.0264 0.00000
296 0.0904 0.00000
297 0.0282 0.00000
298 0.0688 0.00000
299 0.0709 0.00000
300 0.0067 0.00000
301 0.1122 0.00000
302 0.0239 0.00000
303 0.0864 0.00000
304 0.1000 0.00000
305 -0.0006 0.00000
306 0.0289 0.00000
307 0.2291 0.00000
308 0.0338 0.00000
309 0.0683 0.00000
310 0.0504 0.00000
311 0.1655 0.00000
312 0.0221 0.00000
313 0.0830 0.00000
314 0.0965 0.00000
315 0.0370 0.00000
316 0.1004 0.00000
317 0.0251 0.00000
318 0.0818 0.00000
319 0.1239 0.00000
320 0.0782 0.00000
321 0.1370 0.00000
322 0.0940 0.00000
323 0.0089 0.00000
324 0.0667 0.00000
325 0.0056 0.00000
326 0.0330 0.00000
327 0.0162 0.00000
328 0.0492 0.00000
329 -0.0660 0.00000
330 0.0291 0.00000
331 -0.0398 0.00000
332 0.0045 0.00000
333 -0.0148 0.00000
334 0.0613 0.00000
335 -0.0620 0.00000
336 0.0210 0.00000
337 -0.0190 0.00000
338 0.1930 0.00000
339 0.0233 0.00000
340 0.0254 0.00000
341 -0.0419 0.00000
342 0.0314 0.00000
343 -0.0042 0.00000
344 -0.0194 0.00000
345 0.0019 0.00000
346 0.0215 0.00000
347 0.0284 0.00000
348 0.0219 0.00000
349 -0.1128 0.00000
350 -0.0369 0.00000
351 -0.0632 0.00000
352 -0.0182 0.00000
353 -0.0573 0.00000
354 -0.0480 0.00000
355 0.0518 0.00000
356 0.0604 0.00000
357 -0.0314 0.00000
358 0.0307 0.00000
359 -0.0552 0.00000
360 -0.0324 0.00000
361 0.0291 0.00000
362 -0.0961 0.00000
363 -0.0652 0.00000
364 -0.0454 0.00000
365 -0.0065 0.00000
366 -0.0271 0.00000
367 0.0278 0.00000
368 0.0214 0.00000
369 0.0328 0.00000
370 -0.0120 0.00000
371 -0.0423 0.00000
372 0.0582 0.00000
373 0.0529 0.00000
374 0.0318 0.00000
375 -0.0862 0.00000
376 -0.0701 0.00000
377 0.0137 0.00000
378 -0.0143 0.00000
379 -0.0218 0.00000
380 0.0247 0.00000
381 -0.0047 0.00000
382 -0.0503 0.00000
383 0.0433 0.00000
384 -0.0292 0.00000
385 0.0016 0.00000
386 0.0573 0.00000
387 -0.0235 0.00000
388 -0.0775 0.00000
389 0.0019 0.00000
390 -0.0358 0.00000
391 0.0030 0.00000
392 -0.0140 0.00000
393 -0.0407 0.00000
394 -0.0819 0.00000
395 -0.0691 0.00000
396 -0.0486 0.00000
397 -0.0682 0.00000
398 -0.0113 0.00000
399 -0.0503 0.00000
400 -0.0253 0.00000
401 0.0068 0.00000
402 -0.2071 0.00000
403 -0.0467 0.00000
404 -0.0215 0.00000
405 -0.0548 0.00000
406 -0.0966 0.00000
407 -0.0327 0.00000
408 -0.0403 0.00000
409 -0.0824 0.00000
410 -0.0759 0.00000
411 -0.0886 0.00000
412 -0.0638 0.00000
413 -0.0339 0.00000
414 0.0089 0.00000
415 -0.1826 0.00000
416 -0.0061 0.00000
417 -0.0388 0.00000
418 -0.0714 0.00000
419 -0.0369 0.00000
420 -0.0346 0.00000
421 -0.0259 0.00000
422 -0.0576 0.00000
423 -0.0195 0.00000
424 -0.0916 0.00000
425 -0.0799 0.00000
426 -0.0054 0.00000
427 0.0044 0.00000
428 -0.0287 0.00000
429 0.0109 0.00000
430 -0.0174 0.00000
431 -0.0408 0.00000
432 0.0196 0.00000
433 0.0012 0.00000
434 0.0479 0.00000
435 -0.0303 0.00000
436 0.0033 0.00000
437 0.0213 0.00000
438 -0.0257 0.00000
439 -0.0076 0.00000
440 -0.0274 0.00000
441 -0.0172 0.00000
442 -0.0127 0.00000
443 -0.0183 0.00000
444 -0.0164 0.00000
445 -0.0578 0.00000
446 -0.0259 0.00000
447 -0.0061 0.00000
448 0.0164 0.00000
449 -0.0081 0.00000
450 -0.0449 0.00000
451 -0.0691 0.00000
452 -0.0580 0.00000
453 0.0046 0.00000
454 0.0206 0.00000
455 -0.0203 0.00000
456 -0.0641 0.00000
457 -0.0204 0.00000
458 -0.0659 0.00000
459 -0.0472 0.00000
460 -0.0649 0.00000
461 -0.0280 0.00000
462 0.0549 0.00000
463 -0.0299 0.00000
464 -0.0672 0.00000
465 -0.0034 0.00000
466 -0.0331 0.00000
467 -0.0250 0.00000
468 0.0361 0.00000
469 0.0045 0.00000
470 0.0065 0.00000
471 0.0021 0.00000
472 0.0098 0.00000
473 -0.0200 0.00000
474 0.0344 0.00000
475 -0.0168 0.00000
476 -0.0479 0.00000
477 -0.0470 0.00000
478 0.0692 0.00000
479 0.0518 0.00000
480 -0.0046 0.00000
481 0.0179 0.00000
482 0.0640 0.00000
483 0.0313 0.00000
484 -0.0399 0.00000
485 0.0028 0.00000
486 -0.0081 0.00000
487 -0.0476 0.00000
488 0.0832 0.00000
489 0.0136 0.00000
490 0.0329 0.00000
491 0.0583 0.00000
492 -0.0915 0.00000
493 -0.0287 0.00000
494 -0.0249 0.00000
495 -0.0403 0.00000
496 -0.0182 0.00000
497 -0.0008 0.00000
498 -0.0482 0.00000
499 0.0466 0.00000
500 -0.1208 0.00000
501 -0.0047 0.00000
502 -0.0256 0.00000
503 -0.0437 0.00000
504 0.0075 0.00000
505 -0.0123 0.00000
506 -0.0166 0.00000
507 -0.0398 0.00000
508 0.0077 0.00000
509 -0.0356 0.00000
510 -0.0030 0.00000
511 0.0071 0.00000
512 -0.0023 0.00000
513 -0.2324 0.00000
514 0.0049 0.00000
515 0.0082 0.00000
516 -0.0338 0.00000
517 -0.0157 0.00000
518 -0.1291 0.00000
519 -0.0056 0.00000
520 -0.0503 0.00000
521 -0.0083 0.00000
522 -0.0664 0.00000
523 -0.0315 0.00000
524 -0.0196 0.00000
525 0.0031 0.00000
526 -0.0018 0.00000
527 -0.0200 0.00000
528 -0.1383 0.00000
529 -0.0924 0.00000
530 -0.0250 0.00000
531 -0.0898 0.00000
532 -0.0085 0.00000
533 -0.0469 0.00000
534 -0.1530 0.00000
535 -0.0610 0.00000
536 -0.1209 0.00000
537 -0.0988 0.00000
538 -0.0842 0.00000
539 -0.0012 0.00000
540 -0.0198 0.00000
541 -0.0089 0.00000
542 -0.2059 0.00000
543 -0.0488 0.00000
544 -0.0704 0.00000
545 -0.0364 0.00000
546 0.0939 0.00000
547 -0.0254 0.00000
548 -0.0832 0.00000
549 -0.0645 0.00000
550 -0.0108 0.00000
551 -0.1066 0.00000
552 -0.0071 0.00000
553 0.0045 0.00000
554 -0.0245 0.00000
555 0.0236 0.00000
556 -0.0334 0.00000
557 -0.0523 0.00000
558 0.0477 0.00000
559 -0.0555 0.00000
560 0.0329 0.00000
561 -0.0796 0.00000
562 0.0054 0.00000
563 -0.0089 0.00000
564 0.1061 0.00000
565 0.0831 0.00000
566 0.0515 0.00000
567 -0.0158 0.00000
568 0.0381 0.00000
569 0.0331 0.00000
570 0.0219 0.00000
571 -0.0555 0.00000
572 0.0518 0.00000
573 -0.0126 0.00000
574 0.0028 0.00000
575 0.0149 0.00000
576 0.0095 0.00000
577 -0.0403 0.00000
578 -0.0391 0.00000
579 0.0469 0.00000
580 0.0003 0.00000
581 -0.0511 0.00000
582 -0.0178 0.00000
583 -0.0309 0.00000
584 -0.0815 0.00000
585 -0.0638 0.00000
586 -0.0210 0.00000
587 0.1097 0.00000
588 -0.0387 0.00000
589 0.0843 0.00000
590 -0.0382 0.00000
591 -0.0154 0.00000
592 -0.0190 0.00000
593 -0.0062 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0611 0.00000
597 0.0552 0.00000
598 0.0677 0.00000
599 0.0219 0.00000
600 0.0404 0.00000
601 0.0370 0.00000
602 -0.0069 0.00000
603 -0.0922 0.00000
604 0.0307 0.00000
605 0.1134 0.00000
606 0.0662 0.00000
607 0.0263 0.00000
608 0.0988 0.00000
609 0.1046 0.00000
610 0.0571 0.00000
611 -0.0381 0.00000
612 0.0672 0.00000
613 0.0262 0.00000
614 0.0989 0.00000
615 0.0850 0.00000
616 0.0076 0.00000
617 0.0839 0.00000
618 0.0400 0.00000
619 0.0400 0.00000
620 0.0430 0.00000
621 0.1083 0.00000
622 0.1085 0.00000
623 0.0319 0.00000
624 0.0184 0.00000
625 0.0632 0.00000
626 0.0257 0.00000
627 0.0349 0.00000
628 0.0937 0.00000
629 0.0756 0.00000
630 0.0455 0.00000
631 0.2166 0.00000
632 0.0617 0.00000
633 -0.0289 0.00000
634 -0.0067 0.00000
635 0.0480 0.00000
636 0.0431 0.00000
637 0.1154 0.00000
638 -0.0403 0.00000
639 -0.0765 0.00000
640 0.0012 0.00000
641 0.0170 0.00000
642 0.0601 0.00000
643 -0.0108 0.00000
644 0.0500 0.00000
645 0.0214 0.00000
646 0.0185 0.00000
647 0.0042 0.00000
648 0.0515 0.00000
649 0.0266 0.00000
650 0.0334 0.00000
651 0.0286 0.00000
652 0.0177 0.00000
653 0.0036 0.00000
654 0.0530 0.00000
655 -0.0103 0.00000
656 0.0027 0.00000
657 -0.0071 0.00000
658 0.0151 0.00000
659 0.0276 0.00000
660 0.0087 0.00000
661 0.0010 0.00000
662 0.0156 0.00000
663 -0.0168 0.00000
664 -0.0057 0.00000
665 -0.0028 0.00000
666 -0.0419 0.00000
667 -0.0080 0.00000
668 -0.0131 0.00000
669 0.0143 0.00000
670 0.0214 0.00000
671 -0.0375 0.00000
672 0.0168 0.00000
673 0.0004 0.00000
674 0.0119 0.00000
675 -0.0468 0.00000
676 0.0169 0.00000
677 0.0019 0.00000
678 0.0338 0.00000
679 -0.0018 0.00000
680 -0.0168 0.00000
681 0.0132 0.00000
682 0.0194 0.00000
683 0.0390 0.00000
684 -0.0109 0.00000
685 -0.0001 0.00000
686 0.0097 0.00000
687 -0.0348 0.00000
688 -0.0225 0.00000
689 0.0079 0.00000
690 -0.0009 0.00000
691 -0.0508 0.00000
692 0.0792 0.00000
693 0.0013 0.00000
694 0.0272 0.00000
695 0.0206 0.00000
696 -0.0106 0.00000
697 0.0694 0.00000
698 -0.0064 0.00000
699 -0.0689 0.00000
700 -0.1996 0.00000
701 0.0283 0.00000
702 -0.0049 0.00000
703 0.0516 0.00000
704 -0.0303 0.00000
705 -0.0186 0.00000
706 0.0628 0.00000
707 -0.0434 0.00000
708 -0.0239 0.00000
709 0.0573 0.00000
710 0.0141 0.00000
711 -0.0153 0.00000
712 -0.0328 0.00000
713 0.0165 0.00000
714 -0.0500 0.00000
715 0.0624 0.00000
716 -0.0251 0.00000
717 0.0694 0.00000
718 -0.0113 0.00000
719 0.0232 0.00000
720 -0.0119 0.00000
721 0.0082 0.00000
722 0.0247 0.00000
723 0.0361 0.00000
724 -0.0212 0.00000
725 0.0110 0.00000
726 0.0406 0.00000
727 0.0426 0.00000
728 -0.0222 0.00000
729 0.0406 0.00000
730 -0.0233 0.00000
731 0.0189 0.00000
732 0.0539 0.00000
733 0.0061 0.00000
734 -0.0317 0.00000
735 -0.0190 0.00000
736 0.0266 0.00000
737 0.0470 0.00000
738 0.0056 0.00000
739 0.0725 0.00000
740 0.0156 0.00000
741 0.0191 0.00000
742 0.0160 0.00000
743 0.0033 0.00000
744 -0.0138 0.00000
745 0.0283 0.00000
746 -0.0646 0.00000
747 0.0016 0.00000
748 -0.0107 0.00000
749 -0.0243 0.00000
750 0.0149 0.00000
751 0.0487 0.00000
752 0.0341 0.00000
753 -0.0478 0.00000
754 0.0386 0.00000
755 0.0015 0.00000
756 0.0298 0.00000
757 0.0307 0.00000
758 0.0223 0.00000
759 -0.0229 0.00000
760 0.0273 0.00000
761 -0.0195 0.00000
762 0.0431 0.00000
763 0.0863 0.00000
764 0.0164 0.00000
765 0.0460 0.00000
766 0.0500 0.00000
767 0.0424 0.00000
768 -0.0836 0.00000
769 0.0165 0.00000
770 -0.0081 0.00000
771 0.0171 0.00000
772 -0.0181 0.00000
773 0.0152 0.00000
774 0.0089 0.00000
775 -0.0335 0.00000
776 0.0162 0.00000
777 -0.0238 0.00000
778 0.0033 0.00000
779 0.0351 0.00000
780 -0.0716 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0513 0.00000
5 -0.4419 0.00000
6 -0.1467 0.00000
7 0.0268 0.00000
8 -0.0580 0.00000
9 -0.6548 0.00000
10 -0.2763 0.00000
11 -0.0164 0.00000
12 -0.0129 0.00000
13 -0.0163 0.00000
14 0.0766 0.00000
15 0.0301 0.00000
16 0.0479 0.00000
17 -0.1243 0.00000
18 -0.1967 0.00000
19 0.0200 0.00000
20 0.0102 0.00000
21 -0.0368 0.00000
22 -0.0936 0.00000
23 -0.0361 0.00000
24 -0.0113 0.00000
25 -0.0470 0.00000
26 0.0451 0.00000
27 0.1788 0.00000
28 0.0294 0.00000
29 -0.0335 0.00000
30 -0.0200 0.00000
31 0.1358 0.00000
32 0.2166 0.00000
33 0.0503 0.00000
34 0.0307 0.00000
35 0.0139 0.00000
36 -0.1384 0.00000
37 0.0864 0.00000
38 -0.0950 0.00000
39 0.1223 0.00000
40 -0.0176 0.00000
41 -0.1652 0.00000
42 0.0008 0.00000
43 0.1701 0.00000
44 -0.1317 0.00000
45 -0.0726 0.00000
46 -0.0304 0.00000
47 0.0247 0.00000
48 -0.1084 0.00000
49 -0.2045 0.00000
50 -0.0286 0.00000
51 0.1065 0.00000
52 -0.1449 0.00000
53 0.0115 0.00000
54 -0.0363 0.00000
55 0.0144 0.00000
56 -0.2288 0.00000
57 0.0085 0.00000
58 -0.1255 0.00000
59 -0.2173 0.00000
60 -0.1598 0.00000
61 -0.0459 0.00000
62 -0.0688 0.00000
63 -0.0397 0.00000
64 -0.0635 0.00000
65 -0.2560 0.00000
66 -0.1400 0.00000
67 -0.2887 0.00000
68 -0.1124 0.00000
69 -0.0004 0.00000
70 0.0186 0.00000
71 -0.1452 0.00000
72 -0.0487 0.00000
73 -0.0090 0.00000
74 -0.0266 0.00000
75 -0.0276 0.00000
76 0.0525 0.00000
77 0.0039 0.00000
78 -0.1272 0.00000
79 -0.0646 0.00000
80 -0.0102 0.00000
81 -0.0638 0.00000
82 0.1859 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0207 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0933 0.00000
90 0.0734 0.00000
91 0.0320 0.00000
92 0.0706 0.00000
93 -0.0054 0.00000
94 -0.0615 0.00000
95 0.0040 0.00000
96 -0.0016 0.00000
97 0.0410 0.00000
98 0.1224 0.00000
99 0.3222 0.00000
100 -0.0958 0.00000
101 0.0981 0.00000
102 0.7842 0.00000
103 -0.0076 0.00000
104 0.2352 0.00000
105 0.1932 0.00000
106 0.0160 0.00000
107 0.0060 0.00000
108 0.0770 0.00000
109 0.2173 0.00000
110 0.0134 0.00000
111 0.3241 0.00000
112 0.1655 0.00000
113 0.2450 0.00000
114 -0.0092 0.00000
115 -0.0123 0.00000
116 -0.0156 0.00000
117 -0.0488 0.00000
118 0.0397 0.00000
119 0.0685 0.00000
120 -0.0045 0.00000
121 0.4506 0.00000
122 0.2055 0.00000
123 0.2479 0.00000
124 0.1785 0.00000
125 0.0741 0.00000
126 0.0531 0.00000
127 -0.0385 0.00000
128 0.0017 0.00000
129 0.0561 0.00000
130 0.0759 0.00000
131 0.3231 0.00000
132 -0.0467 0.00000
133 -0.0225 0.00000
134 0.0890 0.00000
135 -0.0397 0.00000
136 0.0144 0.00000
137 -0.0693 0.00000
138 -0.1008 0.00000
139 0.1386 0.00000
140 0.0089 0.00000
141 0.0380 0.00000
142 -0.0590 0.00000
143 0.0365 0.00000
144 -0.0058 0.00000
145 -0.0391 0.00000
146 -0.0487 0.00000
147 -0.0360 0.00000
148 0.0923 0.00000
149 -0.4115 0.00000
150 0.1069 0.00000
151 -0.0906 0.00000
152 0.0164 0.00000
153 -0.1474 0.00000
154 -0.1615 0.00000
155 -0.0608 0.00000
156 -0.0102 0.00000
157 0.0316 0.00000
158 -0.0086 0.00000
159 0.0384 0.00000
160 0.0029 0.00000
161 -0.0614 0.00000
162 0.0196 0.00000
163 -0.1390 0.00000
164 0.0984 0.00000
165 0.0789 0.00000
166 -0.0052 0.00000
167 -0.0551 0.00000
168 0.0532 0.00000
169 0.0476 0.00000
170 0.0048 0.00000
171 0.0003 0.00000
172 0.0562 0.00000
173 0.0455 0.00000
174 0.0136 0.00000
175 -0.0170 0.00000
176 -0.0660 0.00000
177 -0.0415 0.00000
178 -0.0631 0.00000
179 -0.0123 0.00000
180 -0.0102 0.00000
181 0.0221 0.00000
182 0.0306 0.00000
183 0.0315 0.00000
184 -0.0059 0.00000
185 0.0256 0.00000
186 0.0191 0.00000
187 -0.0694 0.00000
188 -0.1032 0.00000
189 -0.0052 0.00000
190 0.0136 0.00000
191 0.0402 0.00000
192 -0.0352 0.00000
193 -0.0954 0.00000
194 -0.0112 0.00000
195 -0.0239 0.00000
196 0.0032 0.00000
197 -0.0256 0.00000
198 -0.0509 0.00000
199 -0.0501 0.00000
200 -0.0805 0.00000
201 -0.0327 0.00000
202 -0.0647 0.00000
203 -0.0140 0.00000
204 -0.1209 0.00000
205 -0.0962 0.00000
206 -0.1517 0.00000
207 -0.2045 0.00000
208 -0.1188 0.00000
209 -0.0406 0.00000
210 0.0010 0.00000
211 -0.1090 0.00000
212 -0.0412 0.00000
213 -0.0133 0.00000
214 -0.0664 0.00000
215 -0.0106 0.00000
216 -0.0729 0.00000
217 -0.1088 0.00000
218 -0.0397 0.00000
219 -0.0315 0.00000
220 0.0174 0.00000
221 -0.0153 0.00000
222 0.0381 0.00000
223 -0.0485 0.00000
224 -0.0165 0.00000
225 -0.0823 0.00000
226 -0.1219 0.00000
227 -0.0191 0.00000
228 -0.0162 0.00000
229 -0.1391 0.00000
230 0.0447 0.00000
231 0.0543 0.00000
232 -0.0198 0.00000
233 -0.0209 0.00000
234 0.0083 0.00000
235 0.0228 0.00000
236 0.0224 0.00000
237 0.0441 0.00000
238 0.0485 0.00000
239 0.0311 0.00000
240 0.0270 0.00000
241 0.0142 0.00000
242 -0.1055 0.00000
243 0.0396 0.00000
244 -0.0379 0.00000
245 -0.2180 0.00000
246 0.0553 0.00000
247 -0.2951 0.00000
248 -0.9078 0.00000
249 -0.0090 0.00000
250 0.0167 0.00000
251 -0.0317 0.00000
252 -0.0740 0.00000
253 0.0232 0.00000
254 0.0316 0.00000
255 0.1276 0.00000
256 0.1892 0.00000
257 0.0012 0.00000
258 0.2323 0.00000
259 -0.0088 0.00000
260 0.0172 0.00000
261 0.0410 0.00000
262 0.0671 0.00000
263 -0.0072 0.00000
264 0.0477 0.00000
265 0.0206 0.00000
266 0.0534 0.00000
267 -0.0105 0.00000
268 0.0639 0.00000
269 -0.0003 0.00000
270 0.0366 0.00000
271 0.0058 0.00000
272 0.0222 0.00000
273 0.1119 0.00000
274 0.0319 0.00000
275 0.1454 0.00000
276 0.0567 0.00000
277 -0.0085 0.00000
278 0.0314 0.00000
279 0.1969 0.00000
280 -0.0082 0.00000
281 -0.0510 0.00000
282 0.0967 0.00000
283 0.0369 0.00000
284 0.0495 0.00000
285 0.0476 0.00000
286 0.1437 0.00000
287 0.0400 0.00000
288 0.0639 0.00000
289 0.0084 0.00000
290 0.0677 0.00000
291 0.1078 0.00000
292 -0.0187 0.00000
293 0.0441 0.00000
294 0.0855 0.00000
295 0.0493 0.00000
296 0.0481 0.00000
297 0.0457 0.00000
298 0.0537 0.00000
299 0.2239 0.00000
300 0.0669 0.00000
301 0.0711 0.00000
302 0.0397 0.00000
303 0.0645 0.00000
304 -0.0130 0.00000
305 0.1102 0.00000
306 0.1263 0.00000
307 0.0921 0.00000
308 0.0884 0.00000
309 0.0243 0.00000
310 0.0771 0.00000
311 -0.0228 0.00000
312 0.1532 0.00000
313 0.0542 0.00000
314 0.0103 0.00000
315 0.1474 0.00000
316 0.0492 0.00000
317 0.0834 0.00000
318 0.0498 0.00000
319 0.0274 0.00000
320 0.0809 0.00000
321 0.1927 0.00000
322 0.0287 0.00000
323 0.0542 0.00000
324 0.0563 0.00000
325 0.0568 0.00000
326 0.0196 0.00000
327 0.0490 0.00000
328 0.0087 0.00000
329 0.0622 0.00000
330 0.0190 0.00000
331 -0.0043 0.00000
332 0.0192 0.00000
333 0.0151 0.00000
334 0.0168 0.00000
335 0.0719 0.00000
336 -0.0295 0.00000
337 -0.0735 0.00000
338 -0.0150 0.00000
339 0.0605 0.00000
340 0.0695 0.00000
341 0.0321 0.00000
342 0.0321 0.00000
343 -0.0034 0.00000
344 0.0356 0.00000
345 -0.0041 0.00000
346 0.0181 0.00000
347 0.0202 0.00000
348 -0.0432 0.00000
349 -0.0377 0.00000
350 0.0031 0.00000
351 -0.0513 0.00000
352 -0.1224 0.00000
353 -0.0913 0.00000
354 0.0188 0.00000
355 -0.0927 0.00000
356 -0.0278 0.00000
357 -0.0009 0.00000
358 0.0080 0.00000
359 -0.0306 0.00000
360 -0.0291 0.00000
361 0.0020 0.00000
362 0.0419 0.00000
363 -0.0171 0.00000
364 -0.0861 0.00000
365 -0.0715 0.00000
366 -0.0232 0.00000
367 -0.0034 0.00000
368 -0.0744 0.00000
369 0.0354 0.00000
370 -0.0058 0.00000
371 0.0012 0.00000
372 0.1590 0.00000
373 0.0046 0.00000
374 0.0469 0.00000
375 0.0089 0.00000
376 0.0011 0.00000
377 -0.0404 0.00000
378 -0.0041 0.00000
379 -0.0366 0.00000
380 0.0349 0.00000
381 0.0198 0.00000
382 -0.0138 0.00000
383 -0.0008 0.00000
384 -0.1066 0.00000
385 0.0563 0.00000
386 -0.0124 0.00000
387 -0.1153 0.00000
388 0.0032 0.00000
389 -0.0591 0.00000
390 -0.0412 0.00000
391 -0.0275 0.00000
392 0.0208 0.00000
393 0.0010 0.00000
394 -0.0129 0.00000
395 -0.0696 0.00000
396 -0.0403 0.00000
397 -0.1364 0.00000
398 0.0189 0.00000
399 -0.0422 0.00000
400 -0.0484 0.00000
401 -0.0849 0.00000
402 -0.0326 0.00000
403 -0.0111 0.00000
404 -0.0176 0.00000
405 -0.1231 0.00000
406 -0.0449 0.00000
407 -0.1362 0.00000
408 -0.0977 0.00000
409 -0.0160 0.00000
410 -0.1801 0.00000
411 -0.0354 0.00000
412 -0.0452 0.00000
413 -0.0158 0.00000
414 -0.0742 0.00000
415 0.0065 0.00000
416 -0.0093 0.00000
417 -0.0337 0.00000
418 -0.0261 0.00000
419 -0.0348 0.00000
420 -0.1092 0.00000
421 -0.0146 0.00000
422 0.0074 0.00000
423 -0.0217 0.00000
424 -0.0862 0.00000
425 -0.0015 0.00000
426 -0.0092 0.00000
427 0.0302 0.00000
428 -0.0805 0.00000
429 -0.0520 0.00000
430 0.0377 0.00000
431 -0.0578 0.00000
432 -0.0197 0.00000
433 -0.0001 0.00000
434 0.0053 0.00000
435 -0.0327 0.00000
436 0.0044 0.00000
437 0.0077 0.00000
438 -0.0663 0.00000
439 -0.0821 0.00000
440 0.0186 0.00000
441 -0.0006 0.00000
442 -0.0090 0.00000
443 -0.0479 0.00000
444 -0.0831 0.00000
445 0.0162 0.00000
446 -0.0213 0.00000
447 -0.0774 0.00000
448 0.0138 0.00000
449 -0.0115 0.00000
450 -0.0702 0.00000
451 -0.0130 0.00000
452 -0.0250 0.00000
453 -0.0456 0.00000
454 -0.0006 0.00000
455 -0.0236 0.00000
456 -0.0220 0.00000
457 -0.0231 0.00000
458 -0.0232 0.00000
459 -0.0224 0.00000
460 -0.0415 0.00000
461 0.0007 0.00000
462 -0.0348 0.00000
463 -0.0127 0.00000
464 0.0248 0.00000
465 -0.0204 0.00000
466 0.0139 0.00000
467 0.0124 0.00000
468 -0.0237 0.00000
469 0.0394 0.00000
470 -0.0541 0.00000
471 -0.1094 0.00000
472 -0.0083 0.00000
473 0.0085 0.00000
474 0.0159 0.00000
475 -0.0464 0.00000
476 -0.0137 0.00000
477 0.0193 0.00000
478 -0.0221 0.00000
479 -0.0274 0.00000
480 -0.0057 0.00000
481 0.0396 0.00000
482 0.0447 0.00000
483 -0.0468 0.00000
484 0.0044 0.00000
485 0.0392 0.00000
486 0.0937 0.00000
487 0.0331 0.00000
488 0.0109 0.00000
489 0.0630 0.00000
490 -0.0921 0.00000
491 0.0255 0.00000
492 -0.0479 0.00000
493 -0.0812 0.00000
494 0.0135 0.00000
495 -0.0048 0.00000
496 0.0421 0.00000
497 -0.0390 0.00000
498 -0.0071 0.00000
499 0.0072 0.00000
500 -0.0002 0.00000
501 -0.0250 0.00000
502 -0.0381 0.00000
503 -0.0257 0.00000
504 -0.0348 0.00000
505 -0.0052 0.00000
506 -0.0490 0.00000
507 -0.0198 0.00000
508 0.0079 0.00000
509 -0.0398 0.00000
510 -0.0274 0.00000
511 -0.0862 0.00000
512 -0.0051 0.00000
513 -0.0406 0.00000
514 -0.0244 0.00000
515 -0.0097 0.00000
516 -0.0159 0.00000
517 -0.1208 0.00000
518 -0.0480 0.00000
519 0.0285 0.00000
520 0.0626 0.00000
521 0.0036 0.00000
522 -0.0388 0.00000
523 -0.0266 0.00000
524 -0.1342 0.00000
525 -0.1029 0.00000
526 -0.0060 0.00000
527 -0.0573 0.00000
528 -0.0564 0.00000
529 -0.0392 0.00000
530 -0.0638 0.00000
531 -0.1554 0.00000
532 -0.0717 0.00000
533 -0.0245 0.00000
534 -0.1673 0.00000
535 -0.0086 0.00000
536 -0.0833 0.00000
537 -0.0630 0.00000
538 -0.0143 0.00000
539 -0.1333 0.00000
540 0.0336 0.00000
541 -0.0768 0.00000
542 -0.1253 0.00000
543 -0.0922 0.00000
544 -0.0821 0.00000
545 -0.0321 0.00000
546 -0.0267 0.00000
547 0.0112 0.00000
548 -0.0038 0.00000
549 -0.0650 0.00000
550 -0.0008 0.00000
551 -0.0102 0.00000
552 0.0313 0.00000
553 0.0014 0.00000
554 -0.0043 0.00000
555 0.0035 0.00000
556 -0.0426 0.00000
557 -0.1768 0.00000
558 -0.0046 0.00000
559 0.0235 0.00000
560 -0.0553 0.00000
561 -0.0115 0.00000
562 -0.0400 0.00000
563 -0.0019 0.00000
564 0.1336 0.00000
565 0.0338 0.00000
566 0.0907 0.00000
567 -0.0031 0.00000
568 -0.0118 0.00000
569 0.0238 0.00000
570 0.0375 0.00000
571 0.0432 0.00000
572 -0.0057 0.00000
573 0.0634 0.00000
574 0.0311 0.00000
575 -0.0245 0.00000
576 -0.0465 0.00000
577 -0.0323 0.00000
578 -0.0441 0.00000
579 0.0162 0.00000
580 0.0111 0.00000
581 -0.0230 0.00000
582 -0.0410 0.00000
583 -0.0231 0.00000
584 -0.0860 0.00000
585 -0.0300 0.00000
586 -0.0480 0.00000
587 0.0965 0.00000
588 -0.0311 0.00000
589 0.0846 0.00000
590 -0.0463 0.00000
591 -0.0024 0.00000
592 -0.0241 0.00000
593 -0.0052 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0610 0.00000
597 0.0551 0.00000
598 0.0442 0.00000
599 0.1309 0.00000
600 -0.1243 0.00000
601 -0.0091 0.00000
602 0.0159 0.00000
603 0.1038 0.00000
604 0.0566 0.00000
605 0.0531 0.00000
606 0.0042 0.00000
607 0.0617 0.00000
608 -0.0405 0.00000
609 0.0555 0.00000
610 0.0525 0.00000
611 0.0251 0.00000
612 0.1350 0.00000
613 0.1838 0.00000
614 0.0714 0.00000
615 0.0575 0.00000
616 -0.0015 0.00000
617 -0.0046 0.00000
618 0.2299 0.00000
619 0.0986 0.00000
620 0.0427 0.00000
621 0.1209 0.00000
622 0.0106 0.00000
623 0.1015 0.00000
624 0.0531 0.00000
625 0.0184 0.00000
626 -0.0006 0.00000
627 0.0548 0.00000
628 0.0465 0.00000
629 -0.0234 0.00000
630 -0.0073 0.00000
631 0.0670 0.00000
632 0.0657 0.00000
633 -0.0166 0.00000
634 0.1190 0.00000
635 0.0829 0.00000
636 0.0268 0.00000
637 -0.0335 0.00000
638 -0.0010 0.00000
639 0.0261 0.00000
640 0.0443 0.00000
641 0.0262 0.00000
642 -0.0100 0.00000
643 0.0158 0.00000
644 0.0339 0.00000
645 0.0339 0.00000
646 -0.0029 0.00000
647 0.0468 0.00000
648 0.0091 0.00000
649 -0.0301 0.00000
650 0.0225 0.00000
651 0.0501 0.00000
652 -0.0429 0.00000
653 0.0517 0.00000
654 -0.0729 0.00000
655 0.0024 0.00000
656 -0.0027 0.00000
657 0.0156 0.00000
658 -0.0021 0.00000
659 -0.0105 0.00000
660 0.0586 0.00000
661 0.0067 0.00000
662 0.0219 0.00000
663 -0.0055 0.00000
664 -0.0143 0.00000
665 0.0760 0.00000
666 0.0374 0.00000
667 0.0099 0.00000
668 0.0059 0.00000
669 -0.0249 0.00000
670 0.0675 0.00000
671 -0.0698 0.00000
672 0.0339 0.00000
673 0.0025 0.00000
674 0.0119 0.00000
675 0.0381 0.00000
676 -0.0392 0.00000
677 0.0295 0.00000
678 0.0465 0.00000
679 0.0009 0.00000
680 -0.0167 0.00000
681 -0.0636 0.00000
682 0.0197 0.00000
683 -0.0151 0.00000
684 0.0061 0.00000
685 0.0130 0.00000
686 0.0088 0.00000
687 0.0076 0.00000
688 0.0080 0.00000
689 0.0102 0.00000
690 -0.0266 0.00000
691 -0.0309 0.00000
692 0.0169 0.00000
693 -0.0648 0.00000
694 0.0209 0.00000
695 -0.0189 0.00000
696 -0.0238 0.00000
697 0.0224 0.00000
698 -0.0148 0.00000
699 0.0165 0.00000
700 -0.0298 0.00000
701 0.0879 0.00000
702 0.0025 0.00000
703 -0.1026 0.00000
704 0.0293 0.00000
705 -0.0025 0.00000
706 0.0124 0.00000
707 0.0481 0.00000
708 0.0262 0.00000
709 -0.0417 0.00000
710 -0.0109 0.00000
711 0.0039 0.00000
712 -0.0001 0.00000
713 0.0159 0.00000
714 0.0278 0.00000
715 -0.0220 0.00000
716 0.0888 0.00000
717 0.0196 0.00000
718 0.0092 0.00000
719 0.0044 0.00000
720 -0.0146 0.00000
721 0.0010 0.00000
722 0.0869 0.00000
723 0.0198 0.00000
724 -0.0557 0.00000
725 0.0811 0.00000
726 -0.0226 0.00000
727 -0.0194 0.00000
728 0.0055 0.00000
729 -0.0070 0.00000
730 0.0182 0.00000
731 0.0359 0.00000
732 -0.0286 0.00000
733 0.0181 0.00000
734 -0.1432 0.00000
735 0.0347 0.00000
736 -0.0033 0.00000
737 -0.0279 0.00000
738 0.0071 0.00000
739 -0.0279 0.00000
740 0.0495 0.00000
741 -0.0072 0.00000
742 0.0524 0.00000
743 -0.1137 0.00000
744 0.0455 0.00000
745 0.0249 0.00000
746 0.0497 0.00000
747 0.0805 0.00000
748 0.0047 0.00000
749 -0.0426 0.00000
750 0.0339 0.00000
751 -0.0006 0.00000
752 -0.0447 0.00000
753 0.0230 0.00000
754 0.0034 0.00000
755 0.0075 0.00000
756 0.0111 0.00000
757 0.0083 0.00000
758 -0.0039 0.00000
759 -0.0921 0.00000
760 0.0026 0.00000
761 -0.0141 0.00000
762 0.0414 0.00000
763 0.0232 0.00000
764 0.0110 0.00000
765 0.0271 0.00000
766 0.0406 0.00000
767 0.0292 0.00000
768 0.0371 0.00000
769 0.0013 0.00000
770 0.0002 0.00000
771 0.0082 0.00000
772 -0.0009 0.00000
773 0.0125 0.00000
774 -0.0218 0.00000
775 0.0951 0.00000
776 -0.0007 0.00000
777 0.0026 0.00000
778 -0.0006 0.00000
779 -0.0104 0.00000
780 -0.0188 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0498 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0587 0.00000
5 -0.4342 0.00000
6 -0.1460 0.00000
7 0.0242 0.00000
8 -0.0569 0.00000
9 -0.6509 0.00000
10 -0.2811 0.00000
11 -0.0194 0.00000
12 -0.0082 0.00000
13 -0.0167 0.00000
14 0.0764 0.00000
15 0.0312 0.00000
16 0.0377 0.00000
17 -0.1638 0.00000
18 -0.1436 0.00000
19 0.0181 0.00000
20 0.0056 0.00000
21 -0.0368 0.00000
22 -0.0790 0.00000
23 -0.0433 0.00000
24 0.0019 0.00000
25 -0.0828 0.00000
26 0.1212 0.00000
27 0.0856 0.00000
28 0.1354 0.00000
29 -0.0464 0.00000
30 -0.0259 0.00000
31 0.0852 0.00000
32 0.2229 0.00000
33 0.0374 0.00000
34 0.0403 0.00000
35 0.0070 0.00000
36 -0.1503 0.00000
37 0.1065 0.00000
38 -0.1004 0.00000
39 0.1232 0.00000
40 -0.0028 0.00000
41 -0.1821 0.00000
42 -0.0214 0.00000
43 0.1710 0.00000
44 -0.0989 0.00000
45 -0.0806 0.00000
46 -0.0331 0.00000
47 0.0139 0.00000
48 -0.0560 0.00000
49 -0.2221 0.00000
50 -0.0402 0.00000
51 0.1384 0.00000
52 -0.1824 0.00000
53 0.0161 0.00000
54 -0.0036 0.00000
55 -0.0232 0.00000
56 -0.2077 0.00000
57 0.0078 0.00000
58 -0.1885 0.00000
59 -0.1580 0.00000
60 -0.1716 0.00000
61 -0.0046 0.00000
62 -0.0238 0.00000
63 -0.0889 0.00000
64 -0.2202 0.00000
65 -0.3054 0.00000
66 -0.0614 0.00000
67 -0.2219 0.00000
68 -0.1005 0.00000
69 0.0173 0.00000
70 0.0160 0.00000
71 -0.1503 0.00000
72 -0.0491 0.00000
73 -0.0352 0.00000
74 -0.0147 0.00000
75 -0.0270 0.00000
76 0.0527 0.00000
77 0.0028 0.00000
78 -0.1048 0.00000
79 -0.0824 0.00000
80 -0.0102 0.00000
81 -0.0639 0.00000
82 0.1865 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0207 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0943 0.00000
90 0.0732 0.00000
91 0.0456 0.00000
92 0.0610 0.00000
93 -0.0011 0.00000
94 -0.0619 0.00000
95 -0.0041 0.00000
96 0.0036 0.00000
97 0.0004 0.00000
98 0.0560 0.00000
99 0.3008 0.00000
100 0.0470 0.00000
101 0.1398 0.00000
102 0.7432 0.00000
103 0.0460 0.00000
104 0.1405 0.00000
105 0.1948 0.00000
106 0.0085 0.00000
107 -0.0524 0.00000
108 0.3292 0.00000
109 0.0093 0.00000
110 0.1455 0.00000
111 0.1851 0.00000
112 0.2088 0.00000
113 0.1609 0.00000
114 0.1364 0.00000
115 -0.0647 0.00000
116 -0.0273 0.00000
117 -0.0392 0.00000
118 0.0493 0.00000
119 -0.0206 0.00000
120 0.0142 0.00000
121 0.6352 0.00000
122 0.0724 0.00000
123 0.3447 0.00000
124 0.0954 0.00000
125 0.0644 0.00000
126 0.0639 0.00000
127 -0.0445 0.00000
128 -0.0023 0.00000
129 0.0495 0.00000
130 0.1022 0.00000
131 0.1755 0.00000
132 0.0624 0.00000
133 -0.0022 0.00000
134 0.0892 0.00000
135 -0.0386 0.00000
136 0.0333 0.00000
137 -0.1026 0.00000
138 -0.0907 0.00000
139 0.1364 0.00000
140 0.0135 0.00000
141 0.0387 0.00000
142 -0.0570 0.00000
143 0.0358 0.00000
144 -0.0064 0.00000
145 -0.0391 0.00000
146 -0.0480 0.00000
147 -0.0365 0.00000
148 0.0650 0.00000
149 -0.3891 0.00000
150 0.1495 0.00000
151 -0.2122 0.00000
152 0.0461 0.00000
153 -0.0319 0.00000
154 -0.2115 0.00000
155 -0.0554 0.00000
156 0.0147 0.00000
157 -0.0635 0.00000
158 0.0418 0.00000
159 0.0067 0.00000
160 0.0092 0.00000
161 0.0017 0.00000
162 0.0065 0.00000
163 -0.0497 0.00000
164 0.0877 0.00000
165 -0.0768 0.00000
166 0.0091 0.00000
167 0.0383 0.00000
168 -0.0243 0.00000
169 0.0359 0.00000
170 0.0106 0.00000
171 0.0092 0.00000
172 0.0601 0.00000
173 0.0115 0.00000
174 -0.0526 0.00000
175 0.0191 0.00000
176 0.0243 0.00000
177 -0.0154 0.00000
178 -0.0525 0.00000
179 0.0408 0.00000
180 -0.0382 0.00000
181 -0.0051 0.00000
182 -0.0021 0.00000
183 -0.0205 0.00000
184 0.0300 0.00000
185 0.0105 0.00000
186 -0.0032 0.00000
187 0.0133 0.00000
188 -0.0470 0.00000
189 -0.0228 0.00000
190 -0.0068 0.00000
191 0.0091 0.00000
192 -0.0187 0.00000
193 -0.0288 0.00000
194 -0.1051 0.00000
195 -0.1033 0.00000
196 0.0255 0.00000
197 -0.0294 0.00000
198 -0.0371 0.00000
199 -0.0344 0.00000
200 -0.0369 0.00000
201 -0.0353 0.00000
202 -0.0331 0.00000
203 -0.1384 0.00000
204 -0.0684 0.00000
205 -0.1069 0.00000
206 -0.1582 0.00000
207 -0.2107 0.00000
208 -0.0444 0.00000
209 -0.0470 0.00000
210 -0.0479 0.00000
211 -0.0140 0.00000
212 -0.0550 0.00000
213 -0.0784 0.00000
214 -0.1234 0.00000
215 -0.0259 0.00000
216 -0.0806 0.00000
217 -0.0180 0.00000
218 0.0018 0.00000
219 -0.0369 0.00000
220 -0.0098 0.00000
221 0.0106 0.00000
222 -0.0036 0.00000
223 -0.0568 0.00000
224 -0.0036 0.00000
225 -0.1097 0.00000
226 -0.1266 0.00000
227 -0.0089 0.00000
228 -0.0137 0.00000
229 -0.1427 0.00000
230 0.0632 0.00000
231 0.0536 0.00000
232 -0.0194 0.00000
233 -0.0214 0.00000
234 0.0070 0.00000
235 0.0350 0.00000
236 0.0188 0.00000
237 0.0538 0.00000
238 0.0251 0.00000
239 0.0025 0.00000
240 0.0078 0.00000
241 0.0425 0.00000
242 -0.0365 0.00000
243 -0.0472 0.00000
244 0.0078 0.00000
245 -0.1124 0.00000
246 -0.2262 0.00000
247 -0.0545 0.00000
248 -0.6320 0.00000
249 -0.1418 0.00000
250 -0.2138 0.00000
251 -0.0204 0.00000
252 -0.0082 0.00000
253 0.0908 0.00000
254 0.0405 0.00000
255 -0.0030 0.00000
256 0.0746 0.00000
257 0.0078 0.00000
258 0.2068 0.00000
259 0.0325 0.00000
260 0.1038 0.00000
261 0.0464 0.00000
262 0.0135 0.00000
263 0.0716 0.00000
264 0.0446 0.00000
265 0.0145 0.00000
266 0.0175 0.00000
267 0.0215 0.00000
268 -0.0092 0.00000
269 0.0401 0.00000
270 0.0053 0.00000
271 0.0239 0.00000
272 0.0457 0.00000
273 0.2662 0.00000
274 0.0282 0.00000
275 0.0706 0.00000
276 0.0030 0.00000
277 -0.0406 0.00000
278 -0.0129 0.00000
279 0.0615 0.00000
280 0.0347 0.00000
281 0.1435 0.00000
282 0.0058 0.00000
283 0.0841 0.00000
284 0.0558 0.00000
285 0.0119 0.00000
286 0.0115 0.00000
287 0.1162 0.00000
288 0.0046 0.00000
289 0.1213 0.00000
290 0.0991 0.00000
291 0.0534 0.00000
292 0.0364 0.00000
293 0.1832 0.00000
294 0.0024 0.00000
295 0.0511 0.00000
296 0.0638 0.00000
297 0.1059 0.00000
298 -0.0233 0.00000
299 0.1142 0.00000
300 0.0326 0.00000
301 0.0038 0.00000
302 0.1345 0.00000
303 0.1383 0.00000
304 -0.0632 0.00000
305 0.0019 0.00000
306 0.0352 0.00000
307 0.2807 0.00000
308 0.0548 0.00000
309 0.1168 0.00000
310 0.1103 0.00000
311 0.0430 0.00000
312 0.0302 0.00000
313 0.0348 0.00000
314 0.0933 0.00000
315 0.1659 0.00000
316 0.0926 0.00000
317 0.0086 0.00000
318 0.0557 0.00000
319 0.1816 0.00000
320 0.0755 0.00000
321 0.0496 0.00000
322 0.0940 0.00000
323 0.0470 0.00000
324 -0.0008 0.00000
325 0.0237 0.00000
326 0.0313 0.00000
327 0.0448 0.00000
328 -0.0135 0.00000
329 0.0247 0.00000
330 0.0435 0.00000
331 -0.0090 0.00000
332 -0.0130 0.00000
333 0.0028 0.00000
334 -0.0281 0.00000
335 0.0216 0.00000
336 0.0760 0.00000
337 0.0178 0.00000
338 0.0954 0.00000
339 -0.0476 0.00000
340 -0.0071 0.00000
341 0.0207 0.00000
342 0.0350 0.00000
343 0.0066 0.00000
344 -0.0406 0.00000
345 0.0174 0.00000
346 -0.0064 0.00000
347 0.0250 0.00000
348 -0.0241 0.00000
349 -0.0309 0.00000
350 -0.0203 0.00000
351 0.0198 0.00000
352 -0.1124 0.00000
353 -0.1204 0.00000
354 0.0105 0.00000
355 0.0234 0.00000
356 -0.0587 0.00000
357 0.0293 0.00000
358 0.0434 0.00000
359 0.0165 0.00000
360 -0.0219 0.00000
361 -0.1577 0.00000
362 -0.0289 0.00000
363 -0.0158 0.00000
364 0.0178 0.00000
365 -0.0773 0.00000
366 0.0032 0.00000
367 0.0590 0.00000
368 -0.0026 0.00000
369 -0.0113 0.00000
370 0.0225 0.00000
371 0.0456 0.00000
372 0.0127 0.00000
373 -0.0096 0.00000
374 -0.0083 0.00000
375 -0.0205 0.00000
376 0.0544 0.00000
377 -0.0291 0.00000
378 -0.0444 0.00000
379 -0.0310 0.00000
380 -0.0170 0.00000
381 -0.0318 0.00000
382 -0.0168 0.00000
383 -0.0047 0.00000
384 0.0923 0.00000
385 -0.0260 0.00000
386 -0.0040 0.00000
387 -0.0019 0.00000
388 -0.0675 0.00000
389 0.0333 0.00000
390 -0.1069 0.00000
391 0.0235 0.00000
392 -0.0318 0.00000
393 -0.0837 0.00000
394 -0.1188 0.00000
395 -0.0059 0.00000
396 0.0398 0.00000
397 -0.0316 0.00000
398 -0.0413 0.00000
399 -0.0801 0.00000
400 -0.0232 0.00000
401 -0.0768 0.00000
402 -0.1184 0.00000
403 -0.0096 0.00000
404 -0.0710 0.00000
405 -0.1944 0.00000
406 -0.0217 0.00000
407 -0.0207 0.00000
408 -0.0218 0.00000
409 -0.0728 0.00000
410 -0.0971 0.00000
411 -0.1295 0.00000
412 -0.0393 0.00000
413 -0.0519 0.00000
414 -0.0518 0.00000
415 -0.0464 0.00000
416 0.0186 0.00000
417 -0.0406 0.00000
418 -0.0588 0.00000
419 0.0009 0.00000
420 -0.0763 0.00000
421 -0.0514 0.00000
422 -0.0335 0.00000
423 -0.0190 0.00000
424 -0.0433 0.00000
425 -0.0599 0.00000
426 -0.0332 0.00000
427 -0.0106 0.00000
428 -0.0004 0.00000
429 -0.0496 0.00000
430 -0.0026 0.00000
431 -0.0377 0.00000
432 -0.0295 0.00000
433 0.0028 0.00000
434 -0.0077 0.00000
435 0.0562 0.00000
436 -0.0326 0.00000
437 -0.0576 0.00000
438 -0.0095 0.00000
439 0.0015 0.00000
440 0.0193 0.00000
441 -0.0006 0.00000
442 -0.0353 0.00000
443 -0.0016 0.00000
444 0.0119 0.00000
445 -0.0716 0.00000
446 -0.0681 0.00000
447 -0.0536 0.00000
448 0.0190 0.00000
449 -0.1042 0.00000
450 -0.0027 0.00000
451 -0.0216 0.00000
452 0.0231 0.00000
453 -0.0559 0.00000
454 0.0117 0.00000
455 0.0112 0.00000
456 0.0002 0.00000
457 -0.0507 0.00000
458 -0.0654 0.00000
459 -0.0757 0.00000
460 0.0047 0.00000
461 0.0455 0.00000
462 0.0393 0.00000
463 -0.1050 0.00000
464 -0.0893 0.00000
465 -0.0282 0.00000
466 -0.0247 0.00000
467 -0.0042 0.00000
468 0.0254 0.00000
469 -0.0159 0.00000
470 0.0443 0.00000
471 -0.0257 0.00000
472 -0.0158 0.00000
473 0.0322 0.00000
474 -0.0059 0.00000
475 0.0046 0.00000
476 0.1060 0.00000
477 -0.0593 0.00000
478 -0.0363 0.00000
479 0.0236 0.00000
480 0.0232 0.00000
481 0.1008 0.00000
482 0.0121 0.00000
483 -0.0140 0.00000
484 0.0427 0.00000
485 -0.0065 0.00000
486 0.0316 0.00000
487 0.0107 0.00000
488 -0.0650 0.00000
489 -0.0300 0.00000
490 -0.0396 0.00000
491 0.0070 0.00000
492 -0.0115 0.00000
493 0.0569 0.00000
494 -0.0224 0.00000
495 -0.1244 0.00000
496 -0.0609 0.00000
497 -0.0118 0.00000
498 -0.0542 0.00000
499 -0.0493 0.00000
500 -0.0456 0.00000
501 0.0260 0.00000
502 -0.0297 0.00000
503 -0.0135 0.00000
504 -0.0412 0.00000
505 -0.0133 0.00000
506 -0.0145 0.00000
507 -0.0176 0.00000
508 -0.0106 0.00000
509 -0.0025 0.00000
510 0.0113 0.00000
511 -0.0064 0.00000
512 -0.0073 0.00000
513 0.0097 0.00000
514 -0.1073 0.00000
515 0.0160 0.00000
516 0.0033 0.00000
517 -0.1060 0.00000
518 -0.0892 0.00000
519 -0.0973 0.00000
520 -0.0260 0.00000
521 -0.0377 0.00000
522 -0.0030 0.00000
523 -0.0857 0.00000
524 0.0293 0.00000
525 -0.0428 0.00000
526 -0.0506 0.00000
527 -0.0344 0.00000
528 -0.0412 0.00000
529 -0.0228 0.00000
530 -0.1073 0.00000
531 -0.0720 0.00000
532 -0.0063 0.00000
533 -0.0830 0.00000
534 -0.0244 0.00000
535 -0.1255 0.00000
536 -0.1194 0.00000
537 -0.0012 0.00000
538 -0.0378 0.00000
539 -0.1214 0.00000
540 -0.0546 0.00000
541 -0.1325 0.00000
542 -0.0127 0.00000
543 -0.1442 0.00000
544 -0.0612 0.00000
545 -0.0379 0.00000
546 0.0350 0.00000
547 0.0357 0.00000
548 -0.0167 0.00000
549 -0.0685 0.00000
550 0.0336 0.00000
551 -0.0116 0.00000
552 -0.1547 0.00000
553 -0.0004 0.00000
554 -0.0140 0.00000
555 -0.0001 0.00000
556 -0.1346 0.00000
557 0.0117 0.00000
558 0.0205 0.00000
559 0.0135 0.00000
560 0.0003 0.00000
561 -0.1168 0.00000
562 0.0044 0.00000
563 -0.0586 0.00000
564 0.0164 0.00000
565 0.2273 0.00000
566 0.0360 0.00000
567 0.0129 0.00000
568 0.0149 0.00000
569 0.0001 0.00000
570 0.0066 0.00000
571 0.0270 0.00000
572 0.0577 0.00000
573 -0.0332 0.00000
574 0.0199 0.00000
575 -0.0036 0.00000
576 0.0516 0.00000
577 -0.0671 0.00000
578 -0.0211 0.00000
579 -0.0030 0.00000
580 -0.0015 0.00000
581 -0.0177 0.00000
582 -0.0382 0.00000
583 -0.0104 0.00000
584 -0.1003 0.00000
585 -0.0417 0.00000
586 -0.0272 0.00000
587 0.1250 0.00000
588 -0.0570 0.00000
589 0.0852 0.00000
590 -0.0389 0.00000
591 -0.0148 0.00000
592 -0.0189 0.00000
593 -0.0067 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0611 0.00000
597 0.0552 0.00000
598 0.0666 0.00000
599 0.0648 0.00000
600 0.0262 0.00000
601 -0.0566 0.00000
602 0.0571 0.00000
603 -0.0701 0.00000
604 -0.0009 0.00000
605 0.0894 0.00000
606 0.0889 0.00000
607 0.0473 0.00000
608 0.1664 0.00000
609 0.0188 0.00000
610 0.0616 0.00000
611 -0.0552 0.00000
612 0.0422 0.00000
613 0.0304 0.00000
614 0.1294 0.00000
615 0.0435 0.00000
616 0.1979 0.00000
617 0.0540 0.00000
618 -0.0267 0.00000
619 0.0198 0.00000
620 0.0747 0.00000
621 0.0742 0.00000
622 0.1024 0.00000
623 0.0359 0.00000
624 0.0077 0.00000
625 0.0423 0.00000
626 0.0222 0.00000
627 0.0473 0.00000
628 0.0541 0.00000
629 0.1224 0.00000
630 0.0167 0.00000
631 0.0805 0.00000
632 0.1518 0.00000
633 0.0562 0.00000
634 0.0376 0.00000
635 0.0117 0.00000
636 0.0066 0.00000
637 0.0152 0.00000
638 0.0913 0.00000
639 0.0751 0.00000
640 -0.0192 0.00000
641 -0.0898 0.00000
642 0.0239 0.00000
643 0.0467 0.00000
644 0.0288 0.00000
645 0.0158 0.00000
646 0.0202 0.00000
647 -0.0070 0.00000
648 0.0882 0.00000
649 0.0070 0.00000
650 0.0444 0.00000
651 -0.0015 0.00000
652 0.0369 0.00000
653 0.0426 0.00000
654 0.0042 0.00000
655 -0.0868 0.00000
656 -0.0158 0.00000
657 -0.0219 0.00000
658 0.0394 0.00000
659 0.0061 0.00000
660 -0.0161 0.00000
661 -0.0219 0.00000
662 -0.0178 0.00000
663 0.0148 0.00000
664 0.0345 0.00000
665 -0.0130 0.00000
666 0.0066 0.00000
667 0.0412 0.00000
668 -0.0053 0.00000
669 -0.0047 0.00000
670 0.0179 0.00000
671 0.0052 0.00000
672 0.0199 0.00000
673 -0.0255 0.00000
674 -0.0062 0.00000
675 0.0635 0.00000
676 -0.0058 0.00000
677 -0.0009 0.00000
678 0.0019 0.00000
679 -0.0046 0.00000
680 0.0179 0.00000
681 -0.0033 0.00000
682 -0.0040 0.00000
683 0.0687 0.00000
684 0.0044 0.00000
685 -0.0347 0.00000
686 0.0013 0.00000
687 -0.0433 0.00000
688 -0.1108 0.00000
689 0.0296 0.00000
690 0.0029 0.00000
691 -0.0131 0.00000
692 -0.0660 0.00000
693 -0.0021 0.00000
694 0.0103 0.00000
695 0.0055 0.00000
696 0.0272 0.00000
697 0.0157 0.00000
698 -0.0016 0.00000
699 -0.0227 0.00000
700 0.0067 0.00000
701 -0.0703 0.00000
702 0.0334 0.00000
703 -0.0097 0.00000
704 0.0035 0.00000
705 -0.0126 0.00000
706 0.1062 0.00000
707 0.0136 0.00000
708 -0.0132 0.00000
709 0.0264 0.00000
710 -0.0062 0.00000
711 0.0108 0.00000
712 0.0370 0.00000
713 -0.0081 0.00000
714 0.0708 0.00000
715 -0.0053 0.00000
716 -0.0061 0.00000
717 -0.0006 0.00000
718 0.0227 0.00000
719 0.0014 0.00000
720 0.0221 0.00000
721 -0.0228 0.00000
722 0.0051 0.00000
723 0.0106 0.00000
724 -0.0137 0.00000
725 -0.0280 0.00000
726 -0.0361 0.00000
727 0.1365 0.00000
728 0.0638 0.00000
729 -0.0637 0.00000
730 0.0259 0.00000
731 -0.0046 0.00000
732 -0.0021 0.00000
733 0.0313 0.00000
734 -0.0356 0.00000
735 -0.1089 0.00000
736 0.0153 0.00000
737 0.0416 0.00000
738 -0.0087 0.00000
739 0.0327 0.00000
740 0.0001 0.00000
741 0.0035 0.00000
742 -0.0108 0.00000
743 0.0531 0.00000
744 0.0063 0.00000
745 -0.0342 0.00000
746 0.1074 0.00000
747 -0.0246 0.00000
748 0.0285 0.00000
749 0.0391 0.00000
750 0.0341 0.00000
751 -0.0035 0.00000
752 0.0291 0.00000
753 -0.1383 0.00000
754 0.0220 0.00000
755 0.0581 0.00000
756 0.0475 0.00000
757 0.0279 0.00000
758 -0.0021 0.00000
759 0.0014 0.00000
760 -0.0018 0.00000
761 -0.0237 0.00000
762 0.0205 0.00000
763 -0.0145 0.00000
764 -0.0131 0.00000
765 0.0035 0.00000
766 -0.0533 0.00000
767 0.0627 0.00000
768 0.0187 0.00000
769 0.0166 0.00000
770 0.0817 0.00000
771 -0.0133 0.00000
772 0.0130 0.00000
773 0.0118 0.00000
774 -0.0153 0.00000
775 0.0869 0.00000
776 -0.0149 0.00000
777 0.0582 0.00000
778 -0.0025 0.00000
779 0.0436 0.00000
780 -0.0013 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0455 0.00000
5 -0.4486 0.00000
6 -0.1438 0.00000
7 0.0250 0.00000
8 -0.0575 0.00000
9 -0.6548 0.00000
10 -0.2811 0.00000
11 -0.0164 0.00000
12 -0.0082 0.00000
13 -0.0164 0.00000
14 0.0761 0.00000
15 0.0301 0.00000
16 0.0089 0.00000
17 -0.2693 0.00000
18 0.0009 0.00000
19 0.0086 0.00000
20 0.0057 0.00000
21 -0.0368 0.00000
22 -0.0959 0.00000
23 -0.0340 0.00000
24 -0.0030 0.00000
25 -0.0530 0.00000
26 0.0973 0.00000
27 0.1183 0.00000
28 0.0764 0.00000
29 -0.0330 0.00000
30 -0.0338 0.00000
31 0.0891 0.00000
32 0.2194 0.00000
33 0.0089 0.00000
34 0.0794 0.00000
35 -0.0007 0.00000
36 -0.0950 0.00000
37 0.0961 0.00000
38 -0.0767 0.00000
39 -0.0762 0.00000
40 0.1222 0.00000
41 -0.1686 0.00000
42 -0.0077 0.00000
43 0.1681 0.00000
44 -0.0387 0.00000
45 -0.2059 0.00000
46 0.0462 0.00000
47 -0.0272 0.00000
48 -0.0428 0.00000
49 -0.0848 0.00000
50 -0.1898 0.00000
51 0.1270 0.00000
52 -0.1444 0.00000
53 0.0105 0.00000
54 -0.0096 0.00000
55 -0.0083 0.00000
56 -0.2269 0.00000
57 0.0158 0.00000
58 -0.1917 0.00000
59 -0.0974 0.00000
60 -0.1617 0.00000
61 -0.0668 0.00000
62 -0.0420 0.00000
63 -0.1269 0.00000
64 -0.0842 0.00000
65 -0.3174 0.00000
66 -0.0721 0.00000
67 -0.2424 0.00000
68 -0.1271 0.00000
69 -0.0010 0.00000
70 0.0135 0.00000
71 -0.1405 0.00000
72 -0.0488 0.00000
73 -0.0093 0.00000
74 -0.0292 0.00000
75 -0.0260 0.00000
76 0.0520 0.00000
77 0.0049 0.00000
78 -0.1310 0.00000
79 -0.0613 0.00000
80 -0.0103 0.00000
81 -0.0637 0.00000
82 0.1860 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0208 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0937 0.00000
90 0.0720 0.00000
91 0.0478 0.00000
92 0.0602 0.00000
93 -0.0061 0.00000
94 -0.0609 0.00000
95 -0.0010 0.00000
96 0.0159 0.00000
97 0.0052 0.00000
98 0.1533 0.00000
99 0.1984 0.00000
100 0.1277 0.00000
101 -0.0076 0.00000
102 0.8225 0.00000
103 0.0314 0.00000
104 0.1190 0.00000
105 0.2183 0.00000
106 0.0329 0.00000
107 -0.0315 0.00000
108 0.1122 0.00000
109 0.1264 0.00000
110 0.1453 0.00000
111 0.3152 0.00000
112 0.1524 0.00000
113 0.2194 0.00000
114 -0.0175 0.00000
115 -0.0051 0.00000
116 -0.0358 0.00000
117 -0.0346 0.00000
118 0.0337 0.00000
119 0.0230 0.00000
120 0.0031 0.00000
121 0.5513 0.00000
122 0.1990 0.00000
123 0.1189 0.00000
124 0.1614 0.00000
125 0.1752 0.00000
126 0.0563 0.00000
127 -0.0264 0.00000
128 -0.0143 0.00000
129 0.0665 0.00000
130 0.0753 0.00000
131 0.2899 0.00000
132 -0.0315 0.00000
133 -0.0133 0.00000
134 0.0895 0.00000
135 -0.0397 0.00000
136 0.0446 0.00000
137 -0.0965 0.00000
138 -0.0927 0.00000
139 0.1184 0.00000
140 0.0138 0.00000
141 0.0388 0.00000
142 -0.0584 0.00000
143 0.0369 0.00000
144 -0.0013 0.00000
145 -0.0409 0.00000
146 -0.0486 0.00000
147 -0.0361 0.00000
148 0.0698 0.00000
149 -0.3840 0.00000
150 0.1669 0.00000
151 -0.2539 0.00000
152 0.0001 0.00000
153 0.0050 0.00000
154 -0.1905 0.00000
155 0.0191 0.00000
156 -0.0047 0.00000
157 0.0535 0.00000
158 -0.0113 0.00000
159 -0.1017 0.00000
160 -0.0869 0.00000
161 -0.0006 0.00000
162 0.0142 0.00000
163 0.0208 0.00000
164 0.0170 0.00000
165 0.0590 0.00000
166 -0.0022 0.00000
167 0.0335 0.00000
168 0.0045 0.00000
169 -0.0013 0.00000
170 -0.0119 0.00000
171 0.0516 0.00000
172 0.0438 0.00000
173 -0.0482 0.00000
174 0.0322 0.00000
175 -0.0433 0.00000
176 -0.0686 0.00000
177 0.0337 0.00000
178 -0.0128 0.00000
179 -0.0225 0.00000
180 0.0480 0.00000
181 -0.0456 0.00000
182 0.0098 0.00000
183 0.0056 0.00000
184 0.0285 0.00000
185 -0.0023 0.00000
186 0.0166 0.00000
187 0.0462 0.00000
188 -0.0934 0.00000
189 0.0029 0.00000
190 -0.0275 0.00000
191 -0.0124 0.00000
192 -0.0251 0.00000
193 -0.1163 0.00000
194 -0.0605 0.00000
195 -0.0187 0.00000
196 0.0305 0.00000
197 -0.0058 0.00000
198 -0.0524 0.00000
199 -0.0483 0.00000
200 -0.0751 0.00000
201 -0.0798 0.00000
202 -0.1271 0.00000
203 0.0337 0.00000
204 -0.0852 0.00000
205 -0.1208 0.00000
206 -0.1589 0.00000
207 -0.0863 0.00000
208 -0.1977 0.00000
209 -0.0759 0.00000
210 0.0057 0.00000
211 -0.0254 0.00000
212 0.0042 0.00000
213 -0.0661 0.00000
214 -0.1379 0.00000
215 -0.0427 0.00000
216 -0.0343 0.00000
217 -0.0533 0.00000
218 -0.0186 0.00000
219 -0.0496 0.00000
220 -0.0187 0.00000
221 -0.0145 0.00000
222 0.0334 0.00000
223 -0.0565 0.00000
224 -0.0412 0.00000
225 -0.0696 0.00000
226 -0.0960 0.00000
227 -0.0145 0.00000
228 -0.0136 0.00000
229 -0.1442 0.00000
230 0.0479 0.00000
231 0.0532 0.00000
232 -0.0224 0.00000
233 -0.0191 0.00000
234 0.0095 0.00000
235 0.0283 0.00000
236 0.0160 0.00000
237 0.0466 0.00000
238 0.0501 0.00000
239 0.0182 0.00000
240 0.0110 0.00000
241 0.0124 0.00000
242 0.0161 0.00000
243 -0.1244 0.00000
244 -0.0000 0.00000
245 0.0406 0.00000
246 0.0434 0.00000
247 -0.5267 0.00000
248 -0.8134 0.00000
249 -0.0501 0.00000
250 0.0674 0.00000
251 -0.0554 0.00000
252 -0.0171 0.00000
253 -0.0177 0.00000
254 -0.0407 0.00000
255 -0.0040 0.00000
256 0.2001 0.00000
257 0.2242 0.00000
258 0.0009 0.00000
259 0.0142 0.00000
260 0.1956 0.00000
261 0.0138 0.00000
262 0.0259 0.00000
263 0.0040 0.00000
264 0.0308 0.00000
265 -0.0062 0.00000
266 0.0285 0.00000
267 0.0379 0.00000
268 0.0121 0.00000
269 0.0076 0.00000
270 0.0440 0.00000
271 0.0712 0.00000
272 0.1037 0.00000
273 0.1192 0.00000
274 -0.0875 0.00000
275 0.0234 0.00000
276 0.0315 0.00000
277 0.0667 0.00000
278 0.0251 0.00000
279 0.0542 0.00000
280 0.0281 0.00000
281 0.1510 0.00000
282 0.0479 0.00000
283 0.0834 0.00000
284 0.1003 0.00000
285 0.1253 0.00000
286 -0.0215 0.00000
287 -0.0037 0.00000
288 0.0171 0.00000
289 0.0448 0.00000
290 0.0751 0.00000
291 0.0889 0.00000
292 0.0362 0.00000
293 0.0222 0.00000
294 0.0792 0.00000
295 0.0715 0.00000
296 0.1299 0.00000
297 0.1485 0.00000
298 0.0294 0.00000
299 0.1002 0.00000
300 0.0969 0.00000
301 0.0350 0.00000
302 0.0808 0.00000
303 0.1052 0.00000
304 0.0245 0.00000
305 0.1362 0.00000
306 0.0721 0.00000
307 0.0300 0.00000
308 -0.0114 0.00000
309 0.0472 0.00000
310 0.0507 0.00000
311 0.1397 0.00000
312 -0.0035 0.00000
313 0.0142 0.00000
314 0.1025 0.00000
315 0.0748 0.00000
316 0.1558 0.00000
317 0.0660 0.00000
318 0.0668 0.00000
319 0.1864 0.00000
320 0.1127 0.00000
321 0.0512 0.00000
322 0.0146 0.00000
323 0.0152 0.00000
324 0.0894 0.00000
325 0.0453 0.00000
326 -0.0177 0.00000
327 -0.0411 0.00000
328 -0.0153 0.00000
329 0.1671 0.00000
330 0.0328 0.00000
331 0.0143 0.00000
332 0.0407 0.00000
333 0.0257 0.00000
334 0.0346 0.00000
335 -0.0346 0.00000
336 0.0039 0.00000
337 0.1099 0.00000
338 -0.0595 0.00000
339 -0.0094 0.00000
340 -0.0166 0.00000
341 -0.0103 0.00000
342 -0.0274 0.00000
343 0.0101 0.00000
344 0.0174 0.00000
345 0.0770 0.00000
346 -0.0115 0.00000
347 -0.0111 0.00000
348 0.0521 0.00000
349 -0.0033 0.00000
350 -0.0794 0.00000
351 -0.0840 0.00000
352 -0.0095 0.00000
353 -0.0901 0.00000
354 -0.0674 0.00000
355 0.0345 0.00000
356 0.0435 0.00000
357 -0.0069 0.00000
358 -0.0533 0.00000
359 0.0048 0.00000
360 -0.0454 0.00000
361 0.0035 0.00000
362 -0.0573 0.00000
363 -0.1056 0.00000
364 0.0041 0.00000
365 -0.0595 0.00000
366 -0.0350 0.00000
367 0.0148 0.00000
368 -0.0176 0.00000
369 0.0146 0.00000
370 -0.0297 0.00000
371 0.0284 0.00000
372 0.0368 0.00000
373 0.1398 0.00000
374 -0.0621 0.00000
375 -0.0259 0.00000
376 -0.0355 0.00000
377 -0.0192 0.00000
378 -0.0335 0.00000
379 -0.0128 0.00000
380 0.0179 0.00000
381 0.0754 0.00000
382 -0.0846 0.00000
383 -0.0178 0.00000
384 0.0351 0.00000
385 0.0105 0.00000
386 0.0935 0.00000
387 0.0085 0.00000
388 -0.0467 0.00000
389 -0.0019 0.00000
390 -0.0248 0.00000
391 -0.0706 0.00000
392 -0.0161 0.00000
393 0.0378 0.00000
394 -0.1727 0.00000
395 -0.0808 0.00000
396 -0.0061 0.00000
397 -0.0254 0.00000
398 -0.0511 0.00000
399 -0.0839 0.00000
400 -0.0935 0.00000
401 -0.0229 0.00000
402 -0.0419 0.00000
403 -0.0602 0.00000
404 -0.0742 0.00000
405 -0.0840 0.00000
406 -0.0348 0.00000
407 -0.0712 0.00000
408 -0.0705 0.00000
409 -0.1126 0.00000
410 0.0296 0.00000
411 -0.1400 0.00000
412 -0.0657 0.00000
413 -0.0696 0.00000
414 -0.1835 0.00000
415 0.0309 0.00000
416 -0.0084 0.00000
417 -0.0095 0.00000
418 -0.0738 0.00000
419 -0.0155 0.00000
420 -0.0551 0.00000
421 0.0101 0.00000
422 -0.0296 0.00000
423 -0.0344 0.00000
424 -0.0185 0.00000
425 -0.0156 0.00000
426 -0.0379 0.00000
427 0.0032 0.00000
428 -0.0425 0.00000
429 0.0101 0.00000
430 -0.0443 0.00000
431 0.0021 0.00000
432 -0.0889 0.00000
433 0.0012 0.00000
434 0.0221 0.00000
435 -0.0372 0.00000
436 -0.0031 0.00000
437 -0.0079 0.00000
438 -0.0530 0.00000
439 -0.0259 0.00000
440 -0.0043 0.00000
441 -0.0069 0.00000
442 0.0114 0.00000
443 -0.0151 0.00000
444 -0.0653 0.00000
445 -0.0517 0.00000
446 0.0376 0.00000
447 -0.0133 0.00000
448 -0.0515 0.00000
449 0.0085 0.00000
450 -0.0748 0.00000
451 0.0205 0.00000
452 -0.0467 0.00000
453 0.0074 0.00000
454 0.0029 0.00000
455 0.0338 0.00000
456 -0.0259 0.00000
457 -0.0029 0.00000
458 -0.0602 0.00000
459 -0.0963 0.00000
460 -0.0039 0.00000
461 -0.0209 0.00000
462 -0.0428 0.00000
463 -0.0159 0.00000
464 -0.0198 0.00000
465 -0.0133 0.00000
466 -0.0281 0.00000
467 -0.0816 0.00000
468 -0.0119 0.00000
469 0.0204 0.00000
470 -0.0141 0.00000
471 0.0541 0.00000
472 -0.0102 0.00000
473 -0.0092 0.00000
474 -0.0379 0.00000
475 0.0449 0.00000
476 -0.1262 0.00000
477 -0.0161 0.00000
478 -0.0203 0.00000
479 0.0016 0.00000
480 -0.0478 0.00000
481 0.0082 0.00000
482 0.0308 0.00000
483 0.0004 0.00000
484 0.0089 0.00000
485 0.0261 0.00000
486 -0.0547 0.00000
487 -0.0052 0.00000
488 0.1534 0.00000
489 -0.0159 0.00000
490 0.0415 0.00000
491 0.0619 0.00000
492 -0.0075 0.00000
493 0.0194 0.00000
494 0.0037 0.00000
495 -0.0369 0.00000
496 -0.0494 0.00000
497 -0.0621 0.00000
498 -0.0366 0.00000
499 -0.0115 0.00000
500 0.0121 0.00000
501 -0.0651 0.00000
502 -0.0052 0.00000
503 -0.0718 0.00000
504 0.0201 0.00000
505 0.0298 0.00000
506 -0.0063 0.00000
507 -0.0191 0.00000
508 -0.0268 0.00000
509 -0.0354 0.00000
510 -0.0431 0.00000
511 -0.0148 0.00000
512 -0.0393 0.00000
513 -0.0650 0.00000
514 0.0185 0.00000
515 -0.0699 0.00000
516 0.0156 0.00000
517 0.0236 0.00000
518 -0.0627 0.00000
519 -0.1206 0.00000
520 -0.0407 0.00000
521 -0.0048 0.00000
522 -0.0209 0.00000
523 -0.0118 0.00000
524 -0.0602 0.00000
525 0.0254 0.00000
526 0.0165 0.00000
527 -0.0556 0.00000
528 -0.0725 0.00000
529 -0.0450 0.00000
530 -0.2310 0.00000
531 -0.0949 0.00000
532 -0.0917 0.00000
533 -0.0100 0.00000
534 -0.1490 0.00000
535 -0.0839 0.00000
536 -0.0566 0.00000
537 -0.0070 0.00000
538 -0.0735 0.00000
539 -0.0484 0.00000
540 -0.1041 0.00000
541 -0.1206 0.00000
542 -0.0563 0.00000
543 -0.0507 0.00000
544 -0.0267 0.00000
545 -0.0207 0.00000
546 -0.0482 0.00000
547 -0.0032 0.00000
548 -0.0487 0.00000
549 -0.0203 0.00000
550 -0.0007 0.00000
551 -0.1254 0.00000
552 0.0104 0.00000
553 0.0176 0.00000
554 0.0228 0.00000
555 -0.0468 0.00000
556 0.0137 0.00000
557 -0.0148 0.00000
558 0.0239 0.00000
559 -0.0285 0.00000
560 -0.1694 0.00000
561 -0.0044 0.00000
562 0.0534 0.00000
563 0.0228 0.00000
564 0.0697 0.00000
565 0.0377 0.00000
566 0.0344 0.00000
567 0.0584 0.00000
568 0.0779 0.00000
569 -0.0025 0.00000
570 -0.0418 0.00000
571 0.0543 0.00000
572 0.0695 0.00000
573 -0.0414 0.00000
574 -0.0284 0.00000
575 0.0053 0.00000
576 -0.0366 0.00000
577 -0.0276 0.00000
578 0.0382 0.00000
579 -0.0398 0.00000
580 -0.0162 0.00000
581 -0.0365 0.00000
582 -0.0169 0.00000
583 -0.0098 0.00000
584 -0.0954 0.00000
585 -0.0455 0.00000
586 -0.0329 0.00000
587 0.1430 0.00000
588 -0.0632 0.00000
589 0.0843 0.00000
590 -0.0501 0.00000
591 0.0003 0.00000
592 -0.0232 0.00000
593 -0.0048 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0610 0.00000
597 0.0551 0.00000
598 0.0441 0.00000
599 0.1395 0.00000
600 -0.0658 0.00000
601 -0.0162 0.00000
602 0.0389 0.00000
603 -0.0775 0.00000
604 0.0288 0.00000
605 0.1629 0.00000
606 0.0227 0.00000
607 0.0722 0.00000
608 0.0434 0.00000
609 0.0122 0.00000
610 0.0313 0.00000
611 0.0699 0.00000
612 0.0286 0.00000
613 0.0457 0.00000
614 0.0781 0.00000
615 0.2328 0.00000
616 0.0876 0.00000
617 0.1413 0.00000
618 0.1764 0.00000
619 0.0651 0.00000
620 -0.0203 0.00000
621 0.0177 0.00000
622 0.0793 0.00000
623 -0.0091 0.00000
624 0.0702 0.00000
625 0.0274 0.00000
626 0.0686 0.00000
627 0.0169 0.00000
628 0.0426 0.00000
629 0.0431 0.00000
630 -0.0012 0.00000
631 0.0499 0.00000
632 0.0312 0.00000
633 0.0375 0.00000
634 0.0165 0.00000
635 0.0623 0.00000
636 0.0297 0.00000
637 0.0628 0.00000
638 -0.0164 0.00000
639 -0.0200 0.00000
640 -0.0317 0.00000
641 -0.0144 0.00000
642 0.0422 0.00000
643 0.0071 0.00000
644 0.0490 0.00000
645 0.0204 0.00000
646 0.0265 0.00000
647 0.0081 0.00000
648 0.0190 0.00000
649 0.0412 0.00000
650 0.0097 0.00000
651 -0.0218 0.00000
652 0.0074 0.00000
653 0.0276 0.00000
654 -0.0166 0.00000
655 0.0267 0.00000
656 0.0394 0.00000
657 -0.0107 0.00000
658 0.0586 0.00000
659 0.0028 0.00000
660 0.0466 0.00000
661 0.0304 0.00000
662 0.0537 0.00000
663 0.0021 0.00000
664 -0.0150 0.00000
665 -0.0080 0.00000
666 -0.0060 0.00000
667 -0.0354 0.00000
668 -0.0218 0.00000
669 -0.1189 0.00000
670 0.0236 0.00000
671 0.0365 0.00000
672 0.0310 0.00000
673 -0.0060 0.00000
674 0.0332 0.00000
675 -0.0078 0.00000
676 0.0003 0.00000
677 -0.0188 0.00000
678 0.0237 0.00000
679 0.0253 0.00000
680 -0.0314 0.00000
681 0.0058 0.00000
682 -0.0153 0.00000
683 0.0706 0.00000
684 0.0009 0.00000
685 0.0011 0.00000
686 0.0087 0.00000
687 0.0333 0.00000
688 0.0364 0.00000
689 0.0095 0.00000
690 0.0090 0.00000
691 0.0704 0.00000
692 -0.0096 0.00000
693 0.0116 0.00000
694 0.0568 0.00000
695 -0.0266 0.00000
696 0.0213 0.00000
697 -0.0800 0.00000
698 -0.0175 0.00000
699 -0.0028 0.00000
700 -0.0114 0.00000
701 -0.0315 0.00000
702 -0.0558 0.00000
703 -0.0092 0.00000
704 0.0077 0.00000
705 0.0395 0.00000
706 0.0261 0.00000
707 -0.0082 0.00000
708 -0.0210 0.00000
709 -0.0695 0.00000
710 0.0008 0.00000
711 -0.0218 0.00000
712 0.0319 0.00000
713 -0.0054 0.00000
714 -0.0298 0.00000
715 0.0156 0.00000
716 -0.0462 0.00000
717 -0.0360 0.00000
718 -0.0304 0.00000
719 -0.0048 0.00000
720 0.0238 0.00000
721 0.0448 0.00000
722 0.0003 0.00000
723 -0.0190 0.00000
724 -0.0350 0.00000
725 0.0340 0.00000
726 0.0374 0.00000
727 0.0255 0.00000
728 0.0218 0.00000
729 0.0068 0.00000
730 0.0012 0.00000
731 -0.0111 0.00000
732 0.0501 0.00000
733 0.0033 0.00000
734 0.0436 0.00000
735 0.0546 0.00000
736 -0.0350 0.00000
737 0.0031 0.00000
738 0.1000 0.00000
739 -0.0010 0.00000
740 0.0103 0.00000
741 -0.0031 0.00000
742 -0.0086 0.00000
743 0.0242 0.00000
744 0.0115 0.00000
745 -0.0072 0.00000
746 -0.0019 0.00000
747 -0.0205 0.00000
748 -0.0535 0.00000
749 0.1741 0.00000
750 0.0066 0.00000
751 0.0384 0.00000
752 0.0024 0.00000
753 0.0188 0.00000
754 0.0125 0.00000
755 0.0453 0.00000
756 -0.0146 0.00000
757 0.0174 0.00000
758 0.0130 0.00000
759 -0.0143 0.00000
760 0.0191 0.00000
761 0.0598 0.00000
762 0.0192 0.00000
763 0.0011 0.00000
764 0.0139 0.00000
765 -0.0615 0.00000
766 0.0110 0.00000
767 0.0366 0.00000
768 0.0614 0.00000
769 -0.0500 0.00000
770 -0.0116 0.00000
771 -0.0198 0.00000
772 0.0455 0.00000
773 0.0054 0.00000
774 -0.0067 0.00000
775 0.0207 0.00000
776 -0.0106 0.00000
777 -0.0130 0.00000
778 0.0329 0.00000
779 -0.0017 0.00000
780 -0.0013 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0497 0.00000
2 0.0913 0.00000
3 0.0629 0.00000
4 -0.0487 0.00000
5 -0.4448 0.00000
6 -0.1466 0.00000
7 0.0269 0.00000
8 -0.0580 0.00000
9 -0.6555 0.00000
10 -0.2796 0.00000
11 -0.0164 0.00000
12 -0.0079 0.00000
13 -0.0165 0.00000
14 0.0762 0.00000
15 0.0301 0.00000
16 0.0383 0.00000
17 -0.1616 0.00000
18 -0.1454 0.00000
19 0.0157 0.00000
20 0.0074 0.00000
21 -0.0370 0.00000
22 -0.0923 0.00000
23 -0.0370 0.00000
24 -0.0174 0.00000
25 -0.0225 0.00000
26 0.0769 0.00000
27 0.1334 0.00000
28 0.0138 0.00000
29 -0.0335 0.00000
30 -0.0096 0.00000
31 0.1366 0.00000
32 0.2259 0.00000
33 0.0362 0.00000
34 0.0409 0.00000
35 0.0074 0.00000
36 -0.1470 0.00000
37 0.1009 0.00000
38 -0.0994 0.00000
39 0.1224 0.00000
40 -0.0085 0.00000
41 -0.1731 0.00000
42 -0.0016 0.00000
43 0.1702 0.00000
44 -0.1090 0.00000
45 -0.0907 0.00000
46 -0.0313 0.00000
47 0.0136 0.00000
48 -0.0555 0.00000
49 -0.2351 0.00000
50 -0.0306 0.00000
51 0.1037 0.00000
52 -0.1633 0.00000
53 0.0109 0.00000
54 -0.0239 0.00000
55 0.0157 0.00000
56 -0.2068 0.00000
57 0.0158 0.00000
58 -0.1556 0.00000
59 -0.2050 0.00000
60 -0.1713 0.00000
61 -0.0564 0.00000
62 -0.0452 0.00000
63 -0.0395 0.00000
64 -0.1021 0.00000
65 -0.2926 0.00000
66 -0.0904 0.00000
67 -0.2780 0.00000
68 -0.1124 0.00000
69 -0.0007 0.00000
70 0.0199 0.00000
71 -0.1455 0.00000
72 -0.0486 0.00000
73 -0.0093 0.00000
74 -0.0288 0.00000
75 -0.0279 0.00000
76 0.0534 0.00000
77 0.0053 0.00000
78 -0.1302 0.00000
79 -0.0625 0.00000
80 -0.0102 0.00000
81 -0.0638 0.00000
82 0.1860 0.00000
83 0.0357 0.00000
84 0.0034 0.00000
85 0.0208 0.00000
86 0.0066 0.00000
87 0.0196 0.00000
88 0.0647 0.00000
89 0.0937 0.00000
90 0.0721 0.00000
91 0.0475 0.00000
92 0.0609 0.00000
93 -0.0074 0.00000
94 -0.0578 0.00000
95 -0.0008 0.00000
96 0.0039 0.00000
97 0.0063 0.00000
98 0.0878 0.00000
99 0.3265 0.00000
100 0.0024 0.00000
101 0.0606 0.00000
102 0.8429 0.00000
103 -0.0224 0.00000
104 0.1417 0.00000
105 0.2353 0.00000
106 0.0269 0.00000
107 -0.0130 0.00000
108 0.1513 0.00000
109 0.1519 0.00000
110 0.1300 0.00000
111 0.1610 0.00000
112 0.2135 0.00000
113 0.2276 0.00000
114 0.0346 0.00000
115 -0.0396 0.00000
116 -0.0289 0.00000
117 -0.0313 0.00000
118 0.0514 0.00000
119 0.0332 0.00000
120 0.0099 0.00000
121 0.4966 0.00000
122 0.1737 0.00000
123 0.2624 0.00000
124 0.0932 0.00000
125 0.1292 0.00000
126 0.0580 0.00000
127 -0.0394 0.00000
128 0.0070 0.00000
129 0.0651 0.00000
130 0.0863 0.00000
131 0.2825 0.00000
132 -0.0445 0.00000
133 0.0004 0.00000
134 0.0853 0.00000
135 -0.0391 0.00000
136 0.0414 0.00000
137 -0.0960 0.00000
138 -0.0945 0.00000
139 0.1258 0.00000
140 0.0149 0.00000
141 0.0373 0.00000
142 -0.0590 0.00000
143 0.0370 0.00000
144 -0.0062 0.00000
145 -0.0390 0.00000
146 -0.0485 0.00000
147 -0.0361 0.00000
148 0.0922 0.00000
149 -0.4208 0.00000
150 0.1400 0.00000
151 -0.2022 0.00000
152 0.0276 0.00000
153 0.0166 0.00000
154 -0.2426 0.00000
155 -0.0182 0.00000
156 0.0653 0.00000
157 -0.0100 0.00000
158 -0.0257 0.00000
159 -0.0492 0.00000
160 -0.0115 0.00000
161 0.0121 0.00000
162 -0.0713 0.00000
163 -0.0167 0.00000
164 -0.0002 0.00000
165 0.0097 0.00000
166 0.0720 0.00000
167 -0.0050 0.00000
168 0.0943 0.00000
169 0.0140 0.00000
170 -0.0353 0.00000
171 -0.0016 0.00000
172 0.0483 0.00000
173 0.0202 0.00000
174 -0.0209 0.00000
175 0.0022 0.00000
176 -0.0300 0.00000
177 0.0051 0.00000
178 -0.0542 0.00000
179 -0.0852 0.00000
180 -0.0004 0.00000
181 0.0846 0.00000
182 0.0064 0.00000
183 0.0201 0.00000
184 0.0103 0.00000
185 -0.0210 0.00000
186 0.0054 0.00000
187 0.0206 0.00000
188 -0.0639 0.00000
189 -0.0339 0.00000
190 0.0049 0.00000
191 0.0192 0.00000
192 -0.0065 0.00000
193 -0.0313 0.00000
194 -0.1126 0.00000
195 -0.0820 0.00000
196 0.0236 0.00000
197 -0.0243 0.00000
198 -0.0529 0.00000
199 -0.0442 0.00000
200 -0.0470 0.00000
201 -0.0090 0.00000
202 -0.1396 0.00000
203 -0.0458 0.00000
204 -0.0539 0.00000
205 -0.1177 0.00000
206 -0.2368 0.00000
207 -0.0952 0.00000
208 -0.0963 0.00000
209 -0.1034 0.00000
210 0.0294 0.00000
211 -0.0459 0.00000
212 -0.0352 0.00000
213 -0.0466 0.00000
214 -0.1180 0.00000
215 -0.0226 0.00000
216 -0.0313 0.00000
217 -0.0949 0.00000
218 -0.0449 0.00000
219 -0.0388 0.00000
220 0.0071 0.00000
221 -0.0202 0.00000
222 0.0310 0.00000
223 -0.0553 0.00000
224 -0.0423 0.00000
225 -0.0543 0.00000
226 -0.1113 0.00000
227 -0.0132 0.00000
228 -0.0136 0.00000
229 -0.1423 0.00000
230 0.0479 0.00000
231 0.0536 0.00000
232 -0.0213 0.00000
233 -0.0203 0.00000
234 0.0101 0.00000
235 0.0338 0.00000
236 0.0117 0.00000
237 0.0655 0.00000
238 0.0312 0.00000
239 0.0173 0.00000
240 -0.0018 0.00000
241 0.0252 0.00000
242 0.0262 0.00000
243 -0.0825 0.00000
244 -0.0287 0.00000
245 -0.0595 0.00000
246 -0.0060 0.00000
247 -0.2777 0.00000
248 -0.9602 0.00000
249 0.0026 0.00000
250 0.0456 0.00000
251 -0.0959 0.00000
252 -0.0353 0.00000
253 0.0024 0.00000
254 0.1625 0.00000
255 -0.0051 0.00000
256 0.1097 0.00000
257 0.0202 0.00000
258 0.1516 0.00000
259 0.1086 0.00000
260 0.0102 0.00000
261 0.0374 0.00000
262 0.0372 0.00000
263 0.0078 0.00000
264 0.0751 0.00000
265 0.0119 0.00000
266 0.0178 0.00000
267 0.0043 0.00000
268 0.0650 0.00000
269 -0.0237 0.00000
270 0.0741 0.00000
271 0.0171 0.00000
272 0.0550 0.00000
273 0.1048 0.00000
274 0.0598 0.00000
275 -0.0181 0.00000
276 -0.0009 0.00000
277 0.0045 0.00000
278 0.0210 0.00000
279 0.1292 0.00000
280 -0.0128 0.00000
281 0.2823 0.00000
282 0.0384 0.00000
283 0.0012 0.00000
284 0.0539 0.00000
285 -0.0035 0.00000
286 0.1661 0.00000
287 0.0094 0.00000
288 0.0231 0.00000
289 0.0231 0.00000
290 0.0354 0.00000
291 0.0368 0.00000
292 0.1025 0.00000
293 0.1113 0.00000
294 0.0500 0.00000
295 0.0257 0.00000
296 0.1745 0.00000
297 0.1579 0.00000
298 0.0008 0.00000
299 0.0938 0.00000
300 0.0386 0.00000
301 0.0653 0.00000
302 0.0611 0.00000
303 0.1796 0.00000
304 -0.0639 0.00000
305 0.1108 0.00000
306 0.0153 0.00000
307 0.0701 0.00000
308 0.0920 0.00000
309 0.1351 0.00000
310 0.0149 0.00000
311 0.0989 0.00000
312 -0.0177 0.00000
313 0.0484 0.00000
314 0.1123 0.00000
315 0.0309 0.00000
316 0.0235 0.00000
317 0.1797 0.00000
318 0.1230 0.00000
319 0.1356 0.00000
320 0.0744 0.00000
321 0.0396 0.00000
322 0.0695 0.00000
323 -0.0295 0.00000
324 0.1072 0.00000
325 0.0168 0.00000
326 0.0649 0.00000
327 0.0258 0.00000
328 -0.0482 0.00000
329 0.0205 0.00000
330 0.0264 0.00000
331 0.0742 0.00000
332 0.0006 0.00000
333 0.0354 0.00000
334 0.0739 0.00000
335 -0.0412 0.00000
336 0.0813 0.00000
337 0.0110 0.00000
338 0.0790 0.00000
339 -0.0069 0.00000
340 -0.0991 0.00000
341 -0.0239 0.00000
342 0.0428 0.00000
343 0.0062 0.00000
344 0.0599 0.00000
345 0.0099 0.00000
346 -0.0581 0.00000
347 -0.0014 0.00000
348 -0.0096 0.00000
349 0.0224 0.00000
350 -0.0949 0.00000
351 -0.1162 0.00000
352 -0.0456 0.00000
353 -0.0474 0.00000
354 -0.0223 0.00000
355 0.0012 0.00000
356 0.0242 0.00000
357 0.0182 0.00000
358 0.0450 0.00000
359 -0.0519 0.00000
360 -0.0721 0.00000
361 -0.0293 0.00000
362 -0.0524 0.00000
363 -0.0601 0.00000
364 0.0226 0.00000
365 -0.0420 0.00000
366 -0.0361 0.00000
367 0.0217 0.00000
368 -0.0477 0.00000
369 -0.0380 0.00000
370 0.0148 0.00000
371 0.0762 0.00000
372 0.1528 0.00000
373 -0.0085 0.00000
374 -0.0471 0.00000
375 -0.0170 0.00000
376 -0.0025 0.00000
377 -0.0400 0.00000
378 0.0150 0.00000
379 -0.0429 0.00000
380 -0.0262 0.00000
381 -0.0612 0.00000
382 0.0438 0.00000
383 0.0464 0.00000
384 0.0004 0.00000
385 0.0127 0.00000
386 0.0125 0.00000
387 0.0595 0.00000
388 0.0081 0.00000
389 -0.1090 0.00000
390 0.0053 0.00000
391 -0.0680 0.00000
392 -0.0064 0.00000
393 -0.0335 0.00000
394 -0.0196 0.00000
395 -0.0711 0.00000
396 -0.0400 0.00000
397 -0.0718 0.00000
398 -0.1482 0.00000
399 -0.0355 0.00000
400 0.0070 0.00000
401 -0.0824 0.00000
402 -0.0809 0.00000
403 -0.0778 0.00000
404 -0.0198 0.00000
405 -0.0621 0.00000
406 -0.0889 0.00000
407 -0.1689 0.00000
408 -0.0991 0.00000
409 -0.0033 0.00000
410 -0.0502 0.00000
411 -0.0111 0.00000
412 -0.1494 0.00000
413 -0.0214 0.00000
414 0.0180 0.00000
415 -0.0070 0.00000
416 -0.0515 0.00000
417 -0.0200 0.00000
418 -0.1008 0.00000
419 -0.0259 0.00000
420 -0.0375 0.00000
421 -0.0206 0.00000
422 -0.0434 0.00000
423 -0.0124 0.00000
424 -0.0034 0.00000
425 -0.0207 0.00000
426 -0.0693 0.00000
427 -0.0333 0.00000
428 0.0336 0.00000
429 -0.0499 0.00000
430 0.0053 0.00000
431 -0.0794 0.00000
432 -0.0073 0.00000
433 -0.0348 0.00000
434 -0.0424 0.00000
435 -0.0153 0.00000
436 -0.0378 0.00000
437 -0.0259 0.00000
438 0.0081 0.00000
439 0.0411 0.00000
440 -0.0165 0.00000
441 -0.0082 0.00000
442 -0.0070 0.00000
443 -0.0037 0.00000
444 -0.0471 0.00000
445 -0.0376 0.00000
446 -0.1002 0.00000
447 -0.0473 0.00000
448 0.0037 0.00000
449 -0.0262 0.00000
450 0.0026 0.00000
451 -0.0266 0.00000
452 -0.0156 0.00000
453 -0.0219 0.00000
454 -0.0310 0.00000
455 0.0232 0.00000
456 0.0040 0.00000
457 -0.0353 0.00000
458 -0.0017 0.00000
459 0.0129 0.00000
460 0.0153 0.00000
461 -0.0487 0.00000
462 -0.0012 0.00000
463 -0.0358 0.00000
464 -0.0289 0.00000
465 -0.0771 0.00000
466 -0.0168 0.00000
467 -0.0694 0.00000
468 0.0022 0.00000
469 -0.0425 0.00000
470 -0.0089 0.00000
471 0.0235 0.00000
472 -0.0300 0.00000
473 0.0069 0.00000
474 -0.0275 0.00000
475 -0.0142 0.00000
476 0.0647 0.00000
477 0.0117 0.00000
478 0.0071 0.00000
479 -0.0196 0.00000
480 0.0025 0.00000
481 0.0195 0.00000
482 -0.0226 0.00000
483 -0.0301 0.00000
484 0.0178 0.00000
485 0.0035 0.00000
486 0.0029 0.00000
487 0.0623 0.00000
488 -0.0084 0.00000
489 0.0386 0.00000
490 0.0178 0.00000
491 -0.0607 0.00000
492 -0.0292 0.00000
493 -0.0123 0.00000
494 0.0175 0.00000
495 0.0356 0.00000
496 -0.0942 0.00000
497 -0.0578 0.00000
498 -0.0087 0.00000
499 0.0120 0.00000
500 -0.0655 0.00000
501 -0.0910 0.00000
502 0.0205 0.00000
503 -0.0299 0.00000
504 -0.0343 0.00000
505 0.0109 0.00000
506 0.0126 0.00000
507 0.0086 0.00000
508 -0.0543 0.00000
509 0.0030 0.00000
510 -0.0166 0.00000
511 -0.0397 0.00000
512 0.0184 0.00000
513 -0.0135 0.00000
514 -0.0740 0.00000
515 -0.0842 0.00000
516 0.0386 0.00000
517 -0.0892 0.00000
518 0.0226 0.00000
519 0.0103 0.00000
520 0.0343 0.00000
521 -0.0801 0.00000
522 -0.0313 0.00000
523 -0.0584 0.00000
524 -0.0967 0.00000
525 -0.0207 0.00000
526 -0.0258 0.00000
527 -0.0230 0.00000
528 -0.1236 0.00000
529 -0.0433 0.00000
530 -0.0037 0.00000
531 -0.2263 0.00000
532 -0.0196 0.00000
533 0.0153 0.00000
534 -0.0512 0.00000
535 -0.1488 0.00000
536 -0.0175 0.00000
537 -0.1182 0.00000
538 -0.0561 0.00000
539 -0.1404 0.00000
540 -0.0403 0.00000
541 -0.0449 0.00000
542 -0.1005 0.00000
543 -0.0441 0.00000
544 -0.0504 0.00000
545 -0.0117 0.00000
546 -0.0336 0.00000
547 -0.0217 0.00000
548 -0.0197 0.00000
549 -0.0867 0.00000
550 -0.0775 0.00000
551 -0.0415 0.00000
552 0.0045 0.00000
553 0.0311 0.00000
554 0.0055 0.00000
555 -0.0892 0.00000
556 -0.0279 0.00000
557 0.0397 0.00000
558 -0.0569 0.00000
559 0.0198 0.00000
560 -0.0564 0.00000
561 -0.0643 0.00000
562 -0.0136 0.00000
563 0.0514 0.00000
564 0.1258 0.00000
565 -0.0074 0.00000
566 0.0512 0.00000
567 0.0054 0.00000
568 0.0134 0.00000
569 0.1116 0.00000
570 -0.0061 0.00000
571 0.0280 0.00000
572 0.0394 0.00000
573 0.0119 0.00000
574 -0.0738 0.00000
575 0.0465 0.00000
576 -0.0089 0.00000
577 -0.0020 0.00000
578 -0.0248 0.00000
579 -0.0004 0.00000
580 -0.0493 0.00000
581 -0.0420 0.00000
582 -0.0152 0.00000
583 -0.0103 0.00000
584 -0.0890 0.00000
585 -0.0135 0.00000
586 -0.0545 0.00000
587 0.1278 0.00000
588 -0.0586 0.00000
589 0.0844 0.00000
590 -0.0481 0.00000
591 0.0000 0.00000
592 -0.0234 0.00000
593 -0.0052 0.00000
594 0.0188 0.00000
595 0.0198 0.00000
596 0.0610 0.00000
597 0.0551 0.00000
598 0.0435 0.00000
599 0.1385 0.00000
600 -0.0460 0.00000
601 -0.0609 0.00000
602 -0.0075 0.00000
603 0.0137 0.00000
604 0.0202 0.00000
605 0.0198 0.00000
606 0.1619 0.00000
607 0.0305 0.00000
608 0.0959 0.00000
609 -0.0141 0.00000
610 0.0984 0.00000
611 0.0756 0.00000
612 0.0803 0.00000
613 0.0212 0.00000
614 -0.0257 0.00000
615 0.3539 0.00000
616 0.0790 0.00000
617 0.1054 0.00000
618 0.0055 0.00000
619 0.0391 0.00000
620 0.0373 0.00000
621 0.1108 0.00000
622 0.0341 0.00000
623 0.0089 0.00000
624 0.0163 0.00000
625 0.0264 0.00000
626 0.0618 0.00000
627 0.0659 0.00000
628 -0.0196 0.00000
629 0.0877 0.00000
630 0.0480 0.00000
631 0.0576 0.00000
632 0.0361 0.00000
633 0.0442 0.00000
634 0.0329 0.00000
635 0.0021 0.00000
636 0.0594 0.00000
637 0.0276 0.00000
638 -0.0054 0.00000
639 0.0643 0.00000
640 -0.0262 0.00000
641 -0.0133 0.00000
642 -0.0483 0.00000
643 -0.0348 0.00000
644 0.0571 0.00000
645 0.0567 0.00000
646 0.0165 0.00000
647 0.0413 0.00000
648 0.0230 0.00000
649 0.0618 0.00000
650 -0.0003 0.00000
651 0.0193 0.00000
652 0.0131 0.00000
653 -0.0165 0.00000
654 0.0220 0.00000
655 0.0005 0.00000
656 -0.0038 0.00000
657 -0.0302 0.00000
658 0.0308 0.00000
659 0.0537 0.00000
660 0.0332 0.00000
661 -0.0044 0.00000
662 -0.0261 0.00000
663 0.0199 0.00000
664 0.0062 0.00000
665 0.0277 0.00000
666 0.0004 0.00000
667 -0.0529 0.00000
668 -0.0042 0.00000
669 -0.0057 0.00000
670 -0.0015 0.00000
671 0.0131 0.00000
672 0.0057 0.00000
673 0.0125 0.00000
674 0.0111 0.00000
675 0.0057 0.00000
676 -0.0508 0.00000
677 0.0445 0.00000
678 -0.0332 0.00000
679 0.0472 0.00000
680 0.0601 0.00000
681 -0.0168 0.00000
682 -0.0340 0.00000
683 0.0353 0.00000
684 0.0006 0.00000
685 -0.0497 0.00000
686 0.0471 0.00000
687 -0.0080 0.00000
688 -0.0805 0.00000
689 0.0334 0.00000
690 0.0144 0.00000
691 0.0777 0.00000
692 -0.0043 0.00000
693 -0.0103 0.00000
694 -0.0270 0.00000
695 0.0028 0.00000
696 0.0224 0.00000
697 0.0398 0.00000
698 0.0271 0.00000
699 -0.0690 0.00000
700 0.0045 0.00000
701 -0.0238 0.00000
702 0.0445 0.00000
703 -0.0346 0.00000
704 -0.0262 0.00000
705 -0.0168 0.00000
706 -0.0573 0.00000
707 0.0811 0.00000
708 -0.0111 0.00000
709 0.0169 0.00000
710 0.1022 0.00000
711 -0.0177 0.00000
712 0.0884 0.00000
713 0.0103 0.00000
714 -0.0192 0.00000
715 0.0015 0.00000
716 0.0055 0.00000
717 0.0200 0.00000
718 0.0175 0.00000
719 0.0012 0.00000
720 -0.0193 0.00000
721 0.0069 0.00000
722 -0.0031 0.00000
723 0.0403 0.00000
724 0.0419 0.00000
725 -0.0193 0.00000
726 -0.0491 0.00000
727 0.0633 0.00000
728 -0.0280 0.00000
729 0.0096 0.00000
730 -0.0241 0.00000
731 -0.0314 0.00000
732 -0.0223 0.00000
733 -0.0088 0.00000
734 0.0013 0.00000
735 -0.0146 0.00000
736 -0.1495 0.00000
737 0.0598 0.00000
738 -0.0068 0.00000
739 -0.0238 0.00000
740 0.0614 0.00000
741 -0.0138 0.00000
742 0.0050 0.00000
743 -0.0096 0.00000
744 0.1027 0.00000
745 -0.0225 0.00000
746 0.0126 0.00000
747 0.0465 0.00000
748 -0.0277 0.00000
749 -0.0011 0.00000
750 -0.0096 0.00000
751 0.0209 0.00000
752 0.0140 0.00000
753 -0.0029 0.00000
754 0.0140 0.00000
755 0.0339 0.00000
756 0.0681 0.00000
757 -0.0610 0.00000
758 -0.0043 0.00000
759 0.0094 0.00000
760 -0.0175 0.00000
761 0.0489 0.00000
762 0.0570 0.00000
763 -0.0192 0.00000
764 0.0205 0.00000
765 -0.0213 0.00000
766 0.0558 0.00000
767 -0.0156 0.00000
768 0.0141 0.00000
769 0.0396 0.00000
770 -0.0087 0.00000
771 -0.0050 0.00000
772 -0.0051 0.00000
773 -0.0232 0.00000
774 0.0425 0.00000
775 -0.0091 0.00000
776 0.0301 0.00000
777 -0.0248 0.00000
778 -0.0079 0.00000
779 0.0523 0.00000
780 -0.0007 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 5 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
-9.63969 -3.37933 0.99752
-3.37927 4.91732 -5.61012
0.99747 -5.61028 13.44229
POSITION FORCE-CONSTANT FOR ION 5 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.006542 -0.076623 0.042805
4.30302 2.15352 7.05746 -1.042866 0.574464 0.352999
1.30883 4.06731 2.03161 -0.053656 -0.086840 -0.037141
3.96992 4.32885 4.13194 0.208246 -0.505373 -0.104260
1.29275 3.05683 8.10201 3.556533 -31.259585 1.000402
3.79636 1.47547 14.70421 -0.003722 -0.146817 0.059863
1.24643 4.63551 10.86193 0.063569 1.292318 2.468976
3.89005 4.20092 12.88287 0.363316 -0.179464 0.349707
1.04482 6.69020 17.44020 -0.002163 -0.016544 0.036424
3.77370 7.04599 6.61024 0.425247 0.204363 -0.243279
0.71312 9.21049 2.53845 0.000515 0.055792 -0.045571
3.86880 9.70388 4.59023 0.008634 0.211013 -0.087606
1.19399 7.29663 8.75952 0.045188 1.110799 -0.026071
4.14925 6.52609 15.71477 0.048703 0.043668 0.060988
1.16791 10.19708 10.50563 0.004968 0.415267 0.128350
3.90202 11.30466 11.97145 0.045785 0.102853 0.034475
1.41963 13.48240 16.88000 -0.001899 0.058825 0.038917
3.89470 12.50036 6.39588 -0.023121 0.153552 0.033197
1.24092 15.65995 2.03746 -0.131690 0.035501 0.141398
3.45676 13.88732 3.60018 -0.036595 0.092297 0.006269
1.37686 12.90671 8.69683 -0.030163 0.230886 -0.014092
4.20896 12.98001 14.89140 -0.006686 0.063753 0.013946
1.28271 15.54574 11.35729 -0.042102 0.288595 -0.231337
4.02704 16.14416 13.12883 -0.072516 -0.044209 -0.113758
8.51844 2.13686 0.32759 0.015628 -0.016634 0.011606
10.42520 1.68659 6.72748 0.073728 -0.027867 0.092894
6.89192 4.41938 2.41726 0.042574 -0.035177 0.007146
10.22536 4.35381 4.16682 0.015133 -0.060825 0.026290
7.19238 2.15284 8.75827 -0.177357 -0.070008 -0.196032
10.67141 2.29852 15.08728 0.007536 -0.048884 0.006284
7.24075 4.59797 11.01224 0.089413 -0.147132 -0.076074
10.30176 4.56419 12.61212 0.018035 -0.032004 0.015100
6.40057 6.85176 0.36515 0.038935 0.000225 0.031349
9.75325 6.62606 6.90745 0.038965 -0.051650 -0.017823
6.24007 9.67823 1.67645 0.027444 0.032060 -0.026832
6.65558 7.06042 8.79421 0.135868 0.055488 0.080826
11.80692 6.94639 14.05727 -0.024427 0.009212 0.008430
6.39955 9.97659 10.34026 0.026420 0.100677 0.017565
11.03265 10.16848 13.84914 -0.001291 0.037820 0.011283
6.77345 12.10505 16.99256 0.006475 0.048287 -0.010558
10.32223 13.09442 6.99099 0.028231 0.058205 0.002520
10.59365 15.96480 4.77521 0.020742 0.033905 0.001670
6.94250 12.79247 7.88185 0.016751 0.053658 -0.021082
10.18654 12.31147 16.08279 0.012504 0.034444 0.012864
7.13888 17.01345 11.20310 -0.020942 0.013726 -0.043454
10.37682 0.23169 12.64835 0.008064 -0.024430 -0.039749
13.24904 1.54346 17.14370 -0.013893 -0.034760 0.034588
15.89410 1.64185 6.44545 1.254033 -0.809799 1.031552
12.98857 4.28042 2.14546 -0.014999 -0.038817 0.006298
15.96785 4.32998 4.48967 -0.359628 -0.706270 -0.112256
13.27097 1.52537 8.57426 0.442414 -0.150825 -0.478239
16.03461 1.53130 15.21659 -0.041249 -0.139402 0.062141
13.37701 3.97590 10.80799 -0.093829 -0.199345 -0.126828
16.23421 4.17555 13.11475 -0.400750 -0.145523 0.380537
13.12188 6.75851 16.83328 -0.022459 -0.015683 0.027671
16.15350 6.82329 6.57280 -0.504932 0.245483 -0.396778
13.80451 11.28726 3.11364 -0.035980 0.093101 -0.017003
16.01530 9.31599 4.57229 -0.019066 0.178876 -0.133523
16.24774 6.95131 14.97400 -0.015203 0.074396 0.078861
13.37358 11.10317 11.33384 -0.030587 0.098957 -0.022514
16.26481 10.28310 12.82929 -0.057791 0.085891 0.040030
13.02958 12.87265 0.34345 0.001257 0.076341 0.024480
15.63587 13.81058 6.90598 0.051816 0.152021 -0.078472
13.11026 15.86276 1.91698 0.073267 0.013256 0.092333
16.04847 15.98249 4.25314 -0.017333 0.418380 0.119081
12.92950 13.50280 9.01948 0.037144 0.088511 -0.053662
16.03470 13.24150 15.21399 -0.012930 0.080274 0.000807
13.00717 16.52927 10.76204 0.068151 0.078143 -0.103801
15.92967 15.85673 13.13419 0.086898 -0.016283 -0.117727
1.86054 17.36365 1.29865 0.016155 0.023458 -0.028244
4.17830 2.73136 5.21241 0.085155 0.064331 -0.220539
3.26426 5.75851 5.24301 -0.121473 0.093765 0.120282
17.49829 1.67854 7.58538 1.388473 5.943761 -0.011139
1.16532 17.05709 10.27678 0.047399 -0.224568 0.118024
3.43296 5.28736 14.40974 -0.049488 -0.013204 -0.076897
5.78979 4.58179 12.35127 -0.046056 0.039190 -0.012687
2.66622 1.96025 16.18884 0.007793 0.028401 -0.023912
17.32027 0.89679 16.51550 0.004320 0.025150 -0.010501
0.46199 8.18893 0.93413 0.002174 -0.006558 -0.004927
5.39231 10.11127 3.40660 -0.004310 -0.019169 0.016374
2.32066 9.80687 3.44943 -0.006174 -0.022837 0.015635
4.91964 7.92130 14.71679 -0.004265 -0.009117 -0.006780
2.68710 7.23238 16.69438 -0.004834 -0.004489 -0.015485
0.01020 10.88204 2.02154 0.003718 -0.014593 0.010728
4.21835 0.28129 6.98759 -0.016389 -0.008778 -0.002151
17.23783 13.81793 8.03064 0.015653 -0.038869 0.005984
4.79582 14.66186 14.12172 0.005397 -0.008168 0.015264
1.82404 14.00413 10.26937 0.017962 -0.095913 0.007275
5.26768 16.92854 11.79676 0.014174 -0.001449 0.024473
10.96027 2.96124 5.34122 -0.015626 0.036791 -0.031062
6.97457 3.04582 1.08259 -0.012623 0.015671 0.004878
10.16898 6.05361 5.08582 -0.013792 0.024782 0.007092
8.34039 4.05066 3.68939 -0.012786 0.019977 -0.011216
8.74489 2.42632 7.55292 0.024482 0.012692 0.001667
7.18775 0.35634 9.46384 0.023954 -0.007654 0.031072
11.47395 4.04892 11.19556 -0.003123 0.024810 0.020541
9.15080 2.77757 16.12393 -0.001069 0.013427 -0.002893
7.98734 0.36277 0.04247 -0.002877 0.009379 -0.000420
8.09306 7.37877 7.53063 -0.039775 0.000479 0.008556
5.20414 6.37683 7.73407 -0.103651 0.010229 -0.053435
12.25313 11.32613 12.87115 0.000900 -0.011477 0.001511
7.88582 9.71337 11.41294 -0.004982 -0.009695 -0.001019
7.90588 7.26091 16.85699 -0.005831 0.002755 -0.004704
11.07224 14.64349 6.08452 -0.009191 -0.012010 0.007473
9.97410 0.03402 5.82220 -0.003709 0.005128 -0.011834
11.77786 16.49122 3.26041 -0.013375 0.009364 -0.008352
6.65717 11.67689 9.40508 -0.009448 -0.025586 0.013199
7.76961 15.24886 11.07941 0.006708 -0.002976 0.008898
8.52712 0.41686 12.29829 0.008672 0.005438 0.013462
13.11181 17.12784 0.26607 -0.008845 0.015033 -0.014066
13.20693 2.50512 1.34897 0.003712 0.024398 -0.001617
17.29335 3.71694 3.19979 0.083242 0.071942 0.000383
14.20035 4.69758 3.69278 0.032325 0.092352 0.004236
14.59997 3.56179 12.23787 0.067508 0.030267 -0.008913
13.57708 5.48481 0.72232 0.007322 0.019578 -0.015171
12.29749 8.18631 0.22048 0.005939 0.006447 -0.007005
16.86596 10.59176 5.62457 -0.007242 -0.028019 0.004920
16.66958 8.43890 13.63905 0.011910 -0.017838 -0.005153
16.67265 11.67449 14.15979 0.010227 -0.033179 -0.016014
14.70756 7.45696 15.98014 0.014568 0.002930 -0.020706
16.06899 0.34084 4.92526 -0.257682 -0.123814 -0.306293
14.63768 15.41566 3.05858 -0.022626 -0.044493 -0.043006
12.21694 15.07373 9.87203 -0.007047 -0.020525 0.009992
15.65466 0.14914 13.86557 -0.007631 0.044465 0.018649
14.35754 15.71932 11.91759 -0.014709 -0.001410 0.027376
14.30081 12.83268 16.21967 0.004458 -0.010370 -0.005206
8.77223 10.39607 2.47225 0.008511 0.013983 0.003171
12.91187 8.54216 10.48161 -0.008863 0.032059 -0.002256
8.49467 15.82840 2.99445 0.003865 0.000743 0.009633
1.32045 2.68577 1.08043 0.008330 0.066414 0.014456
5.44581 4.42337 3.31859 -0.062445 0.110425 0.024152
2.71895 4.15019 2.95898 0.007831 0.110935 0.056695
2.89361 2.63574 7.84048 -4.088354 4.452259 0.304491
3.72928 2.61904 13.46082 -0.036179 0.169680 -0.115711
1.12195 3.42722 9.72736 -0.187283 3.790972 2.377587
2.69176 4.49808 11.70258 -0.516596 -0.021663 -0.534670
1.13271 5.33613 0.95032 0.005632 0.050894 -0.028639
4.03043 8.42197 5.67301 -0.050761 -0.202978 0.142802
3.75157 11.03623 5.64253 -0.003484 -0.119913 -0.036402
2.52170 7.25791 7.75547 -0.286769 -0.238155 0.194122
17.39856 7.13193 7.68295 0.242757 -0.282317 0.171972
1.18188 6.06412 9.94036 0.014045 -0.433965 -0.271318
1.18202 8.73358 9.65531 -0.004664 -0.421341 -0.172340
3.91098 11.84592 13.59643 -0.007428 -0.040716 -0.031875
5.12928 10.31683 11.41789 -0.005104 -0.038335 -0.003737
2.50977 10.51875 11.46580 -0.064858 -0.091047 -0.044035
17.45087 6.59897 16.12377 -0.005259 0.000511 -0.031990
3.55980 13.67281 5.25157 0.013486 -0.058005 0.011284
1.28803 14.62748 0.64715 0.016401 -0.047709 -0.065527
4.98905 14.24610 3.11864 0.009587 -0.018297 -0.007171
2.40264 15.06164 3.08512 0.047314 -0.042970 -0.012396
2.72172 12.72875 7.62075 0.037217 -0.056355 -0.027662
1.06333 11.39589 9.35618 -0.008087 -0.223672 0.075596
3.61212 17.43666 14.11103 0.002024 0.090440 0.047033
2.61877 15.69429 12.36150 0.124555 -0.031126 0.123571
2.80206 13.36593 15.83914 0.008057 -0.014896 -0.007230
17.47316 13.58140 16.05649 -0.010043 -0.021561 -0.014180
9.77890 2.08644 1.42003 -0.008451 0.013541 -0.007786
11.39452 4.37239 2.86549 0.014983 0.026617 -0.012538
5.75314 2.47184 7.89843 0.441335 -0.004990 0.136188
10.58974 3.42804 13.84178 -0.002730 0.037221 -0.023248
7.29963 3.26088 10.01774 0.003242 0.138498 0.128042
10.61644 6.04073 13.30213 0.006242 0.022579 0.004621
8.72282 4.57356 11.93667 -0.044519 0.028230 -0.001833
6.87268 5.85394 1.60201 -0.014973 0.036967 -0.022497
10.69996 7.99849 7.09252 -0.001552 0.007921 0.010867
5.73707 8.23825 1.01832 -0.013369 -0.007932 -0.002940
10.63831 11.82289 5.95914 -0.000031 -0.025382 -0.010084
12.27791 10.92294 3.59234 0.004816 -0.017923 -0.001030
7.82470 9.40720 2.06031 -0.019355 -0.007395 0.000103
7.06519 5.95381 10.03323 -0.051304 0.058203 -0.038861
11.49637 8.56646 14.11248 0.008833 -0.021103 -0.001669
6.22218 8.54831 9.46647 -0.031857 -0.071626 -0.036341
10.64255 10.88430 15.28736 0.003129 -0.021024 -0.016184
5.27533 6.08183 16.89617 -0.039547 0.002491 -0.040116
6.19392 10.87447 0.49133 -0.010842 -0.029485 0.023600
6.63594 13.50144 0.40946 0.001700 -0.015009 -0.008315
9.20318 15.33527 4.12194 -0.014519 -0.006228 -0.010192
8.65369 12.87516 7.41323 -0.024301 -0.019888 0.008060
5.50203 12.61795 6.94111 -0.000721 -0.029315 -0.001238
10.10713 13.64215 15.27789 -0.002822 -0.011243 0.000284
10.67911 0.87544 14.08625 0.002621 0.035833 0.029837
11.60356 17.20368 11.75834 -0.039678 0.016177 0.038735
8.39118 11.91622 16.60701 -0.007658 -0.009131 0.000952
5.50451 12.34914 15.80657 0.007883 -0.018099 0.006245
15.73327 3.04046 5.55542 -0.100022 0.834773 -0.589558
16.46394 5.60663 5.46979 0.299403 0.160762 0.361387
14.52808 1.45286 7.47168 -0.938983 0.047780 0.310051
11.79275 1.56088 7.78873 -0.204393 0.039504 -0.021844
13.32704 0.21681 9.64565 -0.075974 -0.069467 0.141480
16.41790 2.90736 14.26355 0.053725 0.157433 -0.126178
13.45171 2.82808 9.57211 -0.026623 0.222348 0.219698
16.10069 5.57752 13.99343 0.063743 -0.066938 -0.110769
0.00005 4.40711 11.99025 0.452423 -0.020744 -0.571547
14.62884 1.73967 16.17160 0.031380 0.031048 -0.029565
11.98368 2.03831 16.06725 -0.012130 0.023126 -0.016060
15.63239 8.11986 5.68103 0.064748 -0.168285 0.152377
17.11138 8.55854 3.60414 -0.010584 -0.042405 0.045051
14.79559 9.98222 3.60061 0.058611 -0.075338 0.046744
14.83832 6.40254 7.47085 0.157675 -0.007207 0.011954
10.26118 5.42988 7.96507 0.007091 0.039552 -0.015331
13.84142 5.42996 10.14226 0.062520 0.067659 -0.025549
12.90067 9.94534 10.26834 0.005526 -0.041102 -0.010559
17.40760 10.25314 11.57387 0.046778 -0.064881 -0.062548
14.84553 10.65634 12.01294 0.043518 -0.034444 0.011621
12.09160 6.31793 15.56215 0.009379 0.007928 -0.008494
13.66330 11.76838 1.50243 0.006638 -0.028770 0.011505
15.90808 14.97969 5.66759 -0.035619 -0.178635 0.074011
12.90234 14.38066 1.10662 -0.017240 -0.059465 -0.052886
17.39979 15.79595 3.12260 0.130016 -0.080219 -0.159696
14.24465 13.87010 7.98683 -0.049901 -0.037791 0.037598
11.50975 12.98027 8.22780 -0.016891 -0.024099 -0.000310
13.37751 12.44417 10.26044 0.008286 -0.069318 0.053962
15.76289 14.59733 14.23402 -0.007695 -0.048624 0.048920
17.35248 15.55367 12.27553 -0.122935 -0.041412 0.136317
11.51892 12.39014 17.28946 -0.014056 -0.014200 -0.011812
2.14782 0.44560 2.19550 -0.005441 -0.002701 0.002890
3.29477 2.11300 4.94555 0.012737 0.002312 0.031080
2.45654 5.15830 5.71352 0.064585 0.052647 -0.170390
17.13665 1.28635 8.55333 0.421388 0.810941 0.091143
2.05496 17.16622 9.63831 -0.076317 0.076419 -0.011626
2.76007 4.61458 14.97268 0.001553 -0.000270 0.000189
5.82104 5.64963 12.65472 -0.001124 0.006000 0.008361
1.99867 2.73895 15.76239 -0.002465 0.007545 0.002584
16.62702 0.41219 17.23014 0.001695 0.009279 0.000508
0.53299 8.97932 0.15968 0.000105 0.007018 0.004987
6.28070 9.99466 4.05905 0.002133 0.006442 -0.001261
2.80484 10.34140 2.60493 0.002310 -0.001443 0.006229
5.85876 7.59725 14.24081 0.000926 0.005450 0.001317
2.33378 8.07412 16.06384 0.001732 0.005850 0.001091
0.72196 11.42800 1.39191 0.000633 0.005501 -0.000034
4.17641 17.36384 8.00554 -0.025133 0.026446 -0.008022
0.17664 14.81238 7.80592 -0.006070 -0.000390 0.000655
5.28314 15.15948 14.98492 0.003379 -0.002101 0.003061
1.99589 13.21868 11.02572 0.010420 -0.008402 0.000702
4.90269 16.46159 10.85427 -0.004736 0.014972 0.005683
11.44760 2.27402 4.62061 0.002574 0.007025 0.004270
6.42001 2.18281 1.50214 0.001253 0.005062 0.001279
11.20298 6.44871 5.00937 -0.001003 0.005413 0.000378
8.23943 2.94593 3.71752 0.000937 0.008473 0.002571
9.07830 3.43667 7.86385 0.005518 -0.000661 -0.003856
8.13841 17.45818 9.05432 0.004820 0.002001 0.003856
11.09062 4.59939 10.31069 0.003032 0.001539 -0.002501
8.29143 2.75175 15.42638 0.000017 0.001739 -0.001009
8.82941 17.22992 17.22214 0.000493 0.005702 0.000561
7.50840 7.62286 6.62087 0.006200 0.008994 -0.006116
4.60511 5.74329 8.41778 0.043362 -0.025107 0.012589
12.92668 11.75537 13.63632 -0.000950 0.004139 0.000192
8.02117 10.55523 12.10517 -0.002279 0.003204 -0.002862
8.67556 7.71636 17.49570 -0.002171 0.003824 0.000251
11.47875 15.24589 6.91703 0.000776 0.003330 -0.002929
9.35972 16.97903 6.56192 -0.002236 0.007876 0.000971
11.03713 17.07922 2.67792 -0.006002 0.003581 0.002034
7.42775 12.08916 10.09180 -0.001004 0.002034 -0.000188
7.92017 14.83580 12.09082 0.000770 0.001331 0.000607
8.50905 1.48718 11.99359 -0.001097 0.000152 -0.003816
13.83892 16.58967 17.12637 0.000676 0.005182 -0.001372
14.18064 2.16404 1.76300 -0.005597 0.000077 0.005466
0.22637 2.85420 3.74771 -0.022614 -0.009578 -0.002436
13.55731 4.46328 4.56374 0.012116 -0.009967 -0.002602
13.93368 3.48067 13.12140 0.020044 0.017187 0.005121
14.29477 4.78199 0.25086 -0.001419 0.002362 0.002056
12.05112 9.01860 17.04503 -0.000579 0.006013 0.001896
16.27694 10.80430 6.52497 -0.000212 0.017005 -0.003332
16.72250 7.84092 12.70809 -0.003759 0.003009 -0.002505
0.08131 12.14367 13.72814 -0.001720 0.005128 -0.000949
15.18747 8.06134 16.77823 0.001715 0.001843 -0.001941
15.33129 0.80027 4.23469 -0.007692 -0.059363 -0.141728
15.22283 14.74953 2.39790 -0.012471 -0.010679 -0.010137
11.52991 14.60593 10.60396 -0.005227 0.002523 0.000544
14.54913 0.08259 13.94141 0.000094 0.007281 0.003032
13.64918 15.17179 12.57877 -0.001382 -0.000580 0.002501
14.26990 11.73639 16.04700 -0.002875 0.000070 -0.002288
2.83011 17.00291 0.89614 0.004765 0.008752 -0.002799
5.01762 2.19884 4.72481 -0.010885 0.034146 -0.086179
2.72197 6.40768 4.52960 -0.035386 0.003470 0.029028
0.61592 0.85326 7.17988 0.825530 1.289752 0.173683
1.05804 0.47662 10.87149 -0.000744 -0.013396 -0.051891
2.72869 6.02833 13.97220 -0.008008 0.019790 0.016472
6.27365 4.07474 13.21275 -0.019903 -0.003862 -0.004359
3.39789 2.54642 16.78232 0.001738 0.003996 0.002290
0.26647 0.03376 15.97352 -0.000330 0.006531 -0.002002
16.86896 8.04953 1.06168 0.000301 0.003182 -0.001103
5.26691 11.21282 3.35522 -0.006928 0.000771 0.004283
1.79651 10.63408 3.97172 0.003613 0.002398 -0.000205
4.24367 8.25477 13.91418 0.000678 0.010272 -0.000019
3.20146 7.72932 0.04071 0.003755 0.000823 -0.004091
17.29565 11.52683 2.88643 0.000337 0.006263 -0.004112
5.09458 17.34903 6.48077 0.039109 0.026654 0.003940
16.80060 13.95067 9.04167 0.005149 0.007877 -0.000176
5.65314 14.35380 13.49055 0.000981 0.006602 -0.000200
2.85103 14.37043 10.06567 -0.009817 0.010514 -0.003141
4.88020 0.46410 11.72901 -0.002640 -0.005926 -0.011389
11.82432 3.49932 5.78478 0.003459 -0.004039 0.001695
6.33916 3.40343 0.25044 -0.000782 0.001919 -0.001225
9.59394 6.71839 4.41200 0.002492 0.008061 -0.000456
7.91802 4.38505 4.66043 0.001251 -0.002395 0.001802
8.23543 2.62518 6.58554 -0.012939 0.000319 0.009367
6.41431 17.32071 8.88054 -0.009161 0.020160 -0.000954
11.14557 3.00954 10.98712 0.011190 0.010499 -0.002224
9.36027 3.86210 16.23230 -0.000096 0.005049 0.001357
7.53966 17.41529 0.94072 0.000959 0.004926 0.000614
8.48774 8.36338 7.84778 -0.007736 0.003852 0.004046
5.72768 5.64505 7.08615 -0.019499 -0.002129 0.011932
11.53162 12.14308 12.66419 0.002985 0.002999 -0.002062
7.77778 8.79967 12.01567 0.003974 0.002745 0.003324
7.67148 7.97660 16.05599 0.002253 0.006006 0.000152
11.96712 14.11387 5.69832 0.002047 0.006557 0.001485
9.20674 0.45352 5.13285 -0.005671 -0.001144 0.000067
12.42086 17.27854 3.71166 0.004775 -0.005169 0.001923
5.72984 12.20671 9.71226 0.001762 0.003722 0.000005
7.06651 14.59485 10.54611 -0.002805 0.007756 -0.000152
8.18003 0.43236 13.34917 0.000343 0.003531 0.001786
12.13433 16.79403 17.35819 -0.000278 0.007529 -0.006316
12.47800 1.85419 1.86970 0.004966 0.004944 0.000790
16.61133 3.22326 2.47663 -0.003287 0.015613 0.027006
14.18380 5.80672 3.64923 -0.028904 0.021957 -0.014022
14.87276 2.50739 12.03337 -0.004817 0.005427 -0.006717
14.23243 6.19147 1.27631 0.001204 0.006035 -0.000159
12.93327 8.58137 1.02753 -0.001373 0.004788 -0.000292
0.31818 10.15222 5.96061 0.010339 0.012387 -0.001706
0.23893 8.66414 13.84372 0.000769 0.005920 0.003880
17.08408 11.06555 14.99139 0.002320 0.003302 0.001585
14.24371 8.22849 15.33189 0.001399 0.004499 0.000330
17.03243 0.72423 4.52831 0.002756 -0.010557 0.043758
14.06257 14.70897 3.69175 -0.011551 -0.004028 -0.007666
11.55248 15.52990 9.11606 0.004731 0.004766 0.000894
15.79992 0.71375 12.92180 0.001523 -0.010390 -0.007182
14.66771 14.92743 11.20480 0.007607 0.012577 0.000246
13.59723 13.22883 15.45681 0.001484 0.004977 0.000025
0.28893 16.96969 9.61776 0.040472 0.078094 -0.017507
5.14861 8.79609 15.34428 -0.002432 0.001040 -0.000594
16.57887 10.76457 1.44815 0.000196 0.004439 0.000612
3.32280 17.43531 6.45000 -0.002878 0.062556 0.052029
7.22345 0.33037 16.74849 -0.000312 0.002378 -0.000962
8.80270 9.61454 10.81195 -0.000402 0.004640 0.000764
8.32656 6.35754 16.39008 0.000033 0.003347 0.001531
8.73549 15.20213 10.55252 0.000062 0.004859 0.000102
11.35757 7.84337 0.68199 0.002123 0.001447 -0.000895
17.07689 11.54135 5.11708 -0.004560 -0.003568 0.006573
1.05898 4.30352 7.32607 -1.487313 12.235848 -5.751172
4.03509 12.56543 11.20951 -0.004712 -0.012030 0.001467
2.98241 12.61908 2.99845 0.001969 -0.008292 -0.001860
13.02951 6.77394 13.23542 0.004785 0.002965 -0.002022
9.81405 10.04557 13.02717 -0.000581 -0.000545 -0.000826
14.38062 12.44509 3.83928 0.002133 -0.011022 -0.002482
15.29130 12.60070 6.14349 -0.009537 -0.017210 0.006309
1.51212 12.17674 0.04632 -0.000041 -0.005570 -0.001875
5.20365 1.54821 15.21091 -0.003392 0.020864 -0.009786
6.79297 14.20253 8.32851 -0.001234 -0.009399 0.002814
11.61515 7.96197 6.76612 -0.012872 0.005793 -0.004866
10.25461 10.96603 6.21744 0.000430 0.010207 0.000426
11.90891 11.26603 4.43245 -0.002127 0.011557 0.003893
8.53540 10.78259 3.48001 0.001035 0.003750 -0.001410
9.76681 9.93079 2.50215 -0.000692 0.003524 0.000330
8.80784 11.23977 1.76494 -0.000452 0.001989 0.001711
14.97448 6.01037 8.35394 -0.093542 0.001889 0.037752
10.93413 4.83383 7.59381 -0.007546 -0.013867 -0.003167
13.14865 5.92816 9.67432 -0.011289 -0.001544 0.009634
12.65000 8.06887 9.52187 -0.005700 0.001009 -0.002323
13.90414 8.18239 10.79823 0.002653 0.002191 0.007719
12.16474 8.24325 11.23577 0.002392 -0.000800 0.000344
5.27827 14.04824 2.20496 -0.003982 0.009686 0.005146
10.20084 2.92381 1.69633 0.001314 0.000049 0.001089
7.46833 14.00510 0.41146 0.000676 0.006987 0.002879
7.48179 15.39929 3.01468 -0.002005 0.005834 0.001633
8.41010 16.93048 3.00754 -0.000933 0.003537 0.001362
8.99741 15.53505 2.05618 0.003005 0.003598 -0.002140
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 5 DIRECTION 2 : 0.316 2.141 0.621
rigid augmentation : 0.000 0.200 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : 0.316 -2.059 0.621
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 15/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 18( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258903; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259001; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01044506
-V(xc)+E(xc) XCENC = 0.02120391
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03578418
---------------------------------------------------
free energy TOTEN = -0.02502533 eV
energy without entropy = -0.02502533
----------------------------------------- Iteration 18( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258903; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259001; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10729E+01 rms(broyden)= 0.10720E+01
rms(prec ) = 0.11375E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01044506
-V(xc)+E(xc) XCENC = 0.02120391
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01351951
---------------------------------------------------
free energy TOTEN = -0.00276067 eV
energy without entropy = -0.00276067
----------------------------------------- Iteration 18( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258931; 1190.000000 electrons
Band energy:-0.912026E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258973; 1190.000000 electrons
Band energy:-0.912002E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.65369E+00 rms(broyden)= 0.65359E+00
rms(prec ) = 0.69604E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4591
2.4591
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00974785
-V(xc)+E(xc) XCENC = 0.01829581
PAW double counting = 0.02296626 -0.02296893
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01339137
---------------------------------------------------
free energy TOTEN = -0.00484608 eV
energy without entropy = -0.00484608
----------------------------------------- Iteration 18( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258973; 1190.000000 electrons
Band energy:-0.912028E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10919E+00 rms(broyden)= 0.10900E+00
rms(prec ) = 0.13406E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0340
1.6783 2.3898
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00909764
-V(xc)+E(xc) XCENC = 0.01661423
PAW double counting = 0.14918009 -0.14919455
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01348736
---------------------------------------------------
free energy TOTEN = -0.00598523 eV
energy without entropy = -0.00598523
----------------------------------------- Iteration 18( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258979; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258925; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.57271E-01 rms(broyden)= 0.57233E-01
rms(prec ) = 0.71605E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6676
2.5393 1.7564 0.7073
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00878099
-V(xc)+E(xc) XCENC = 0.01626916
PAW double counting = 0.16005708 -0.16007010
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01372629
---------------------------------------------------
free energy TOTEN = -0.00625113 eV
energy without entropy = -0.00625113
----------------------------------------- Iteration 18( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258984; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258920; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.30364E-01 rms(broyden)= 0.30355E-01
rms(prec ) = 0.41710E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7162
2.6811 2.1613 1.0112 1.0112
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00875540
-V(xc)+E(xc) XCENC = 0.01627088
PAW double counting = 0.16484982 -0.16486339
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01374735
---------------------------------------------------
free energy TOTEN = -0.00624544 eV
energy without entropy = -0.00624544
----------------------------------------- Iteration 18( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258992; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258912; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.13884E-01 rms(broyden)= 0.13868E-01
rms(prec ) = 0.20667E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8274
2.7524 2.6461 1.7764 0.9810 0.9810
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00873862
-V(xc)+E(xc) XCENC = 0.01632433
PAW double counting = 0.16496402 -0.16497783
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01376908
---------------------------------------------------
free energy TOTEN = -0.00619718 eV
energy without entropy = -0.00619718
----------------------------------------- Iteration 18( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258999; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258905; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.44138E-02 rms(broyden)= 0.44037E-02
rms(prec ) = 0.77519E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7866
3.4587 2.4652 1.8334 0.9625 0.9625 1.0374
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00873019
-V(xc)+E(xc) XCENC = 0.01639036
PAW double counting = 0.16311365 -0.16312734
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01378197
---------------------------------------------------
free energy TOTEN = -0.00613549 eV
energy without entropy = -0.00613549
----------------------------------------- Iteration 18( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259002; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258902; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.30592E-02 rms(broyden)= 0.30553E-02
rms(prec ) = 0.44658E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9457
4.0660 2.4727 2.4727 1.6718 0.9879 0.9744 0.9744
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872406
-V(xc)+E(xc) XCENC = 0.01640603
PAW double counting = 0.16325746 -0.16327118
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01378915
---------------------------------------------------
free energy TOTEN = -0.00612090 eV
energy without entropy = -0.00612090
----------------------------------------- Iteration 18( 10) ---------------------------------------
BZINTS: Fermi energy: 0.259005; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258899; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.91406E-03 rms(broyden)= 0.91022E-03
rms(prec ) = 0.14196E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9412
4.4478 2.8609 2.3760 1.7801 0.9711 0.9711 1.1686 0.9541
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872221
-V(xc)+E(xc) XCENC = 0.01640929
PAW double counting = 0.16330058 -0.16331432
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01379194
---------------------------------------------------
free energy TOTEN = -0.00611860 eV
energy without entropy = -0.00611860
----------------------------------------- Iteration 18( 11) ---------------------------------------
BZINTS: Fermi energy: 0.259006; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258899; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.47942E-03 rms(broyden)= 0.47823E-03
rms(prec ) = 0.71796E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9486
4.7676 2.9516 2.4485 1.8684 1.6516 0.9869 0.9869 0.9379 0.9379
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872184
-V(xc)+E(xc) XCENC = 0.01640840
PAW double counting = 0.16326534 -0.16327909
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01379257
---------------------------------------------------
free energy TOTEN = -0.00611976 eV
energy without entropy = -0.00611976
----------------------------------------- Iteration 18( 12) ---------------------------------------
BZINTS: Fermi energy: 0.259006; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258898; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.21998E-03 rms(broyden)= 0.21965E-03
rms(prec ) = 0.35550E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9587
4.9170 3.1674 2.6020 2.2449 1.7022 1.1793 0.9735 0.9735 0.9135 0.9135
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872196
-V(xc)+E(xc) XCENC = 0.01640779
PAW double counting = 0.16330914 -0.16332289
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01379297
---------------------------------------------------
free energy TOTEN = -0.00612089 eV
energy without entropy = -0.00612089
----------------------------------------- Iteration 18( 13) ---------------------------------------
BZINTS: Fermi energy: 0.259006; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258898; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12244E-03 rms(broyden)= 0.12231E-03
rms(prec ) = 0.18472E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9776
4.8814 3.5865 2.6248 2.4607 1.8687 1.5669 0.9740 0.9740 1.0217 0.9886
0.8060
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872205
-V(xc)+E(xc) XCENC = 0.01640733
PAW double counting = 0.16332438 -0.16333812
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01379328
---------------------------------------------------
free energy TOTEN = -0.00612172 eV
energy without entropy = -0.00612172
----------------------------------------- Iteration 18( 14) ---------------------------------------
BZINTS: Fermi energy: 0.259006; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258898; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.57551E-04 rms(broyden)= 0.57459E-04
rms(prec ) = 0.87719E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9670
5.1138 3.7795 2.7634 2.4933 1.9381 1.6913 0.9663 0.9663 1.0876 1.0876
0.9597 0.7571
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00872217
-V(xc)+E(xc) XCENC = 0.01640739
PAW double counting = 0.16331186 -0.16332560
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01379377
---------------------------------------------------
free energy TOTEN = -0.00612229 eV
energy without entropy = -0.00612229
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0243 0.00000
4 -0.0123 0.00000
5 -0.5033 0.00000
6 -0.3750 0.00000
7 0.0161 0.00000
8 -0.0362 0.00000
9 -1.2638 0.00000
10 -0.6595 0.00000
11 -0.0658 0.00000
12 -0.0545 0.00000
13 0.0151 0.00000
14 0.0693 0.00000
15 0.0289 0.00000
16 -0.1299 0.00000
17 -0.0818 0.00000
18 -0.2153 0.00000
19 0.0222 0.00000
20 -0.0025 0.00000
21 0.0382 0.00000
22 -0.3258 0.00000
23 0.0275 0.00000
24 -0.0909 0.00000
25 -0.5843 0.00000
26 0.1635 0.00000
27 0.1312 0.00000
28 0.1145 0.00000
29 -0.0585 0.00000
30 0.0441 0.00000
31 -0.1263 0.00000
32 0.2029 0.00000
33 0.0696 0.00000
34 0.1364 0.00000
35 0.0377 0.00000
36 -0.3678 0.00000
37 0.0875 0.00000
38 -0.0522 0.00000
39 -0.3377 0.00000
40 0.0535 0.00000
41 -0.1795 0.00000
42 -0.0601 0.00000
43 0.2482 0.00000
44 0.0161 0.00000
45 -0.6011 0.00000
46 -0.0056 0.00000
47 -0.1153 0.00000
48 -0.2388 0.00000
49 -0.0343 0.00000
50 -0.5781 0.00000
51 -0.0530 0.00000
52 -0.0412 0.00000
53 -0.0100 0.00000
54 -0.0939 0.00000
55 0.0800 0.00000
56 -0.5729 0.00000
57 0.0897 0.00000
58 -0.2816 0.00000
59 -0.2012 0.00000
60 -0.2670 0.00000
61 -0.0614 0.00000
62 -0.0235 0.00000
63 -0.4346 0.00000
64 -0.4834 0.00000
65 0.0531 0.00000
66 -0.0100 0.00000
67 -0.2671 0.00000
68 -0.3493 0.00000
69 0.0098 0.00000
70 -0.0084 0.00000
71 0.2361 0.00000
72 0.0533 0.00000
73 -0.0621 0.00000
74 0.0008 0.00000
75 -0.0130 0.00000
76 0.0032 0.00000
77 -0.0161 0.00000
78 0.0396 0.00000
79 -0.0170 0.00000
80 -0.0323 0.00000
81 0.0637 0.00000
82 0.1215 0.00000
83 0.0294 0.00000
84 -0.0233 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0224 0.00000
90 0.0850 0.00000
91 0.0086 0.00000
92 0.0096 0.00000
93 0.0286 0.00000
94 -0.0521 0.00000
95 -0.0872 0.00000
96 -0.0831 0.00000
97 0.0665 0.00000
98 0.0825 0.00000
99 0.0931 0.00000
100 -0.1057 0.00000
101 0.2542 0.00000
102 0.3824 0.00000
103 0.1088 0.00000
104 0.0851 0.00000
105 0.1222 0.00000
106 0.0082 0.00000
107 -0.0995 0.00000
108 0.1307 0.00000
109 0.0009 0.00000
110 0.1139 0.00000
111 0.0143 0.00000
112 0.0185 0.00000
113 -0.0322 0.00000
114 0.0855 0.00000
115 0.0628 0.00000
116 -0.0171 0.00000
117 0.0859 0.00000
118 -0.0385 0.00000
119 0.0019 0.00000
120 0.0740 0.00000
121 0.3228 0.00000
122 0.1062 0.00000
123 0.0498 0.00000
124 0.1406 0.00000
125 -0.0126 0.00000
126 0.1893 0.00000
127 -0.0028 0.00000
128 -0.0229 0.00000
129 -0.0246 0.00000
130 0.0732 0.00000
131 -0.0262 0.00000
132 -0.0043 0.00000
133 0.0058 0.00000
134 0.1094 0.00000
135 -0.0468 0.00000
136 0.1248 0.00000
137 -0.1333 0.00000
138 0.2279 0.00000
139 0.0946 0.00000
140 0.0091 0.00000
141 0.0768 0.00000
142 -0.0182 0.00000
143 0.0279 0.00000
144 -0.0209 0.00000
145 -0.0463 0.00000
146 -0.0167 0.00000
147 0.0216 0.00000
148 -0.1434 0.00000
149 -0.5046 0.00000
150 0.0414 0.00000
151 -0.5581 0.00000
152 -0.0409 0.00000
153 -0.3679 0.00000
154 -0.1259 0.00000
155 -0.0871 0.00000
156 -0.0464 0.00000
157 -0.0036 0.00000
158 -0.0267 0.00000
159 -0.0374 0.00000
160 -0.0518 0.00000
161 -0.1129 0.00000
162 -0.1037 0.00000
163 -0.0050 0.00000
164 0.0912 0.00000
165 0.0295 0.00000
166 -0.0379 0.00000
167 -0.0045 0.00000
168 0.0105 0.00000
169 -0.0167 0.00000
170 0.0225 0.00000
171 0.0797 0.00000
172 -0.0587 0.00000
173 -0.1231 0.00000
174 -0.0377 0.00000
175 -0.0195 0.00000
176 0.0235 0.00000
177 0.1006 0.00000
178 -0.0759 0.00000
179 0.0169 0.00000
180 0.0296 0.00000
181 -0.1471 0.00000
182 -0.0704 0.00000
183 -0.0030 0.00000
184 -0.0140 0.00000
185 0.0424 0.00000
186 -0.0374 0.00000
187 -0.2304 0.00000
188 -0.0302 0.00000
189 0.0427 0.00000
190 -0.0931 0.00000
191 -0.0083 0.00000
192 -0.1257 0.00000
193 -0.0342 0.00000
194 -0.1003 0.00000
195 -0.0227 0.00000
196 0.0569 0.00000
197 -0.0324 0.00000
198 -0.0806 0.00000
199 0.0137 0.00000
200 -0.2000 0.00000
201 -0.0355 0.00000
202 -0.0730 0.00000
203 -0.2237 0.00000
204 -0.2862 0.00000
205 -0.3520 0.00000
206 -0.1181 0.00000
207 -0.1594 0.00000
208 -0.0981 0.00000
209 -0.1103 0.00000
210 -0.2194 0.00000
211 -0.0419 0.00000
212 -0.1021 0.00000
213 -0.2380 0.00000
214 -0.1050 0.00000
215 -0.1703 0.00000
216 -0.0703 0.00000
217 -0.0674 0.00000
218 0.1564 0.00000
219 0.0096 0.00000
220 -0.5965 0.00000
221 -0.5782 0.00000
222 -0.0609 0.00000
223 -0.1188 0.00000
224 -0.3056 0.00000
225 -0.0538 0.00000
226 -0.0308 0.00000
227 0.0136 0.00000
228 -0.0290 0.00000
229 0.0612 0.00000
230 0.0554 0.00000
231 -0.0216 0.00000
232 -0.0037 0.00000
233 0.0262 0.00000
234 0.0767 0.00000
235 -0.0403 0.00000
236 0.0586 0.00000
237 -0.0036 0.00000
238 -0.0484 0.00000
239 -0.0033 0.00000
240 0.0104 0.00000
241 -0.0276 0.00000
242 0.0526 0.00000
243 0.2031 0.00000
244 0.0692 0.00000
245 0.0609 0.00000
246 0.1302 0.00000
247 0.2512 0.00000
248 0.3065 0.00000
249 0.1354 0.00000
250 0.0466 0.00000
251 -0.0628 0.00000
252 0.0338 0.00000
253 0.0163 0.00000
254 -0.0403 0.00000
255 0.0483 0.00000
256 0.0152 0.00000
257 0.0220 0.00000
258 0.0404 0.00000
259 -0.0029 0.00000
260 -0.0140 0.00000
261 -0.0398 0.00000
262 0.0189 0.00000
263 -0.0050 0.00000
264 0.0351 0.00000
265 0.0523 0.00000
266 0.0061 0.00000
267 0.0707 0.00000
268 -0.0154 0.00000
269 0.0639 0.00000
270 -0.0111 0.00000
271 0.0523 0.00000
272 0.0366 0.00000
273 0.0933 0.00000
274 0.0496 0.00000
275 0.2296 0.00000
276 0.0017 0.00000
277 0.0143 0.00000
278 0.0127 0.00000
279 0.0752 0.00000
280 0.0199 0.00000
281 0.0092 0.00000
282 0.0025 0.00000
283 0.0618 0.00000
284 0.0643 0.00000
285 0.0423 0.00000
286 0.0661 0.00000
287 -0.0201 0.00000
288 0.0202 0.00000
289 -0.0388 0.00000
290 0.0308 0.00000
291 0.0400 0.00000
292 0.1134 0.00000
293 0.0192 0.00000
294 -0.0073 0.00000
295 -0.0139 0.00000
296 0.1090 0.00000
297 0.0127 0.00000
298 0.0290 0.00000
299 0.0242 0.00000
300 -0.0311 0.00000
301 0.0519 0.00000
302 0.0652 0.00000
303 0.0238 0.00000
304 0.0354 0.00000
305 -0.0356 0.00000
306 0.0505 0.00000
307 0.0179 0.00000
308 0.0410 0.00000
309 -0.0237 0.00000
310 0.0577 0.00000
311 0.2006 0.00000
312 0.0064 0.00000
313 -0.0710 0.00000
314 0.0104 0.00000
315 0.0513 0.00000
316 -0.0116 0.00000
317 0.0337 0.00000
318 -0.0017 0.00000
319 -0.0153 0.00000
320 0.0229 0.00000
321 0.0941 0.00000
322 -0.1383 0.00000
323 -0.0311 0.00000
324 -0.0292 0.00000
325 -0.0129 0.00000
326 0.0458 0.00000
327 0.0202 0.00000
328 0.0578 0.00000
329 -0.0375 0.00000
330 -0.0688 0.00000
331 -0.0521 0.00000
332 0.0105 0.00000
333 -0.0486 0.00000
334 -0.0383 0.00000
335 -0.0098 0.00000
336 -0.0261 0.00000
337 -0.0572 0.00000
338 0.0305 0.00000
339 0.0526 0.00000
340 -0.0150 0.00000
341 0.0242 0.00000
342 0.0002 0.00000
343 -0.0505 0.00000
344 -0.0533 0.00000
345 0.0305 0.00000
346 -0.1464 0.00000
347 -0.0182 0.00000
348 -0.0858 0.00000
349 0.0131 0.00000
350 -0.0786 0.00000
351 -0.1283 0.00000
352 0.0108 0.00000
353 0.0209 0.00000
354 0.0038 0.00000
355 -0.0526 0.00000
356 -0.0101 0.00000
357 0.0187 0.00000
358 -0.0793 0.00000
359 -0.2897 0.00000
360 0.0221 0.00000
361 -0.0589 0.00000
362 0.0087 0.00000
363 -0.1440 0.00000
364 -0.0151 0.00000
365 -0.0018 0.00000
366 -0.0187 0.00000
367 -0.1642 0.00000
368 0.0615 0.00000
369 0.1003 0.00000
370 -0.0481 0.00000
371 0.0206 0.00000
372 -0.0523 0.00000
373 -0.0495 0.00000
374 0.0090 0.00000
375 -0.0751 0.00000
376 0.0639 0.00000
377 -0.0104 0.00000
378 0.0006 0.00000
379 -0.0135 0.00000
380 -0.0238 0.00000
381 -0.0994 0.00000
382 -0.0192 0.00000
383 -0.0767 0.00000
384 0.0259 0.00000
385 -0.1979 0.00000
386 -0.0815 0.00000
387 0.0300 0.00000
388 -0.0523 0.00000
389 -0.0280 0.00000
390 -0.0227 0.00000
391 0.0259 0.00000
392 -0.0746 0.00000
393 -0.0506 0.00000
394 0.0099 0.00000
395 -0.0902 0.00000
396 -0.0772 0.00000
397 -0.0432 0.00000
398 0.0007 0.00000
399 -0.0036 0.00000
400 -0.0085 0.00000
401 0.0387 0.00000
402 -0.0555 0.00000
403 -0.1766 0.00000
404 -0.0875 0.00000
405 -0.0142 0.00000
406 -0.2403 0.00000
407 -0.2529 0.00000
408 -0.3470 0.00000
409 -0.0603 0.00000
410 0.0081 0.00000
411 -0.0766 0.00000
412 -0.2048 0.00000
413 -0.0556 0.00000
414 -0.0781 0.00000
415 -0.0470 0.00000
416 -0.0169 0.00000
417 0.0118 0.00000
418 -0.0455 0.00000
419 -0.0683 0.00000
420 -0.0187 0.00000
421 0.0506 0.00000
422 -0.0202 0.00000
423 -0.1308 0.00000
424 -0.0451 0.00000
425 0.0119 0.00000
426 -0.0384 0.00000
427 -0.0094 0.00000
428 -0.0042 0.00000
429 -0.1454 0.00000
430 -0.0120 0.00000
431 -0.0218 0.00000
432 0.0337 0.00000
433 -0.1651 0.00000
434 -0.0158 0.00000
435 0.0060 0.00000
436 0.0418 0.00000
437 -0.0066 0.00000
438 0.0125 0.00000
439 -0.0399 0.00000
440 0.0317 0.00000
441 -0.0632 0.00000
442 -0.1111 0.00000
443 -0.1016 0.00000
444 -0.0489 0.00000
445 -0.0549 0.00000
446 -0.0089 0.00000
447 -0.0589 0.00000
448 -0.1265 0.00000
449 -0.0306 0.00000
450 0.0568 0.00000
451 0.0529 0.00000
452 -0.1215 0.00000
453 -0.0525 0.00000
454 -0.0566 0.00000
455 -0.0032 0.00000
456 -0.0289 0.00000
457 -0.0029 0.00000
458 0.0246 0.00000
459 0.0422 0.00000
460 -0.0230 0.00000
461 0.0953 0.00000
462 -0.1224 0.00000
463 -0.0054 0.00000
464 0.0136 0.00000
465 0.0050 0.00000
466 -0.0341 0.00000
467 -0.0148 0.00000
468 0.0362 0.00000
469 -0.0574 0.00000
470 -0.0923 0.00000
471 0.0060 0.00000
472 -0.1026 0.00000
473 0.0018 0.00000
474 0.0490 0.00000
475 -0.0395 0.00000
476 -0.0346 0.00000
477 0.0169 0.00000
478 -0.0224 0.00000
479 0.0429 0.00000
480 0.0530 0.00000
481 -0.0254 0.00000
482 -0.1202 0.00000
483 -0.0115 0.00000
484 -0.0273 0.00000
485 -0.0125 0.00000
486 -0.0745 0.00000
487 0.0679 0.00000
488 -0.0224 0.00000
489 -0.0879 0.00000
490 -0.0188 0.00000
491 0.0427 0.00000
492 -0.0554 0.00000
493 -0.0145 0.00000
494 0.0220 0.00000
495 -0.0307 0.00000
496 -0.0646 0.00000
497 -0.0062 0.00000
498 -0.1241 0.00000
499 -0.0064 0.00000
500 -0.0395 0.00000
501 -0.0150 0.00000
502 -0.0003 0.00000
503 -0.1025 0.00000
504 -0.1292 0.00000
505 -0.1331 0.00000
506 -0.1023 0.00000
507 0.0160 0.00000
508 -0.1577 0.00000
509 -0.0541 0.00000
510 -0.1784 0.00000
511 -0.0019 0.00000
512 -0.0497 0.00000
513 -0.1338 0.00000
514 0.0346 0.00000
515 -0.0178 0.00000
516 -0.0073 0.00000
517 -0.1060 0.00000
518 -0.0559 0.00000
519 -0.0199 0.00000
520 0.0067 0.00000
521 -0.0682 0.00000
522 -0.0215 0.00000
523 -0.2715 0.00000
524 0.0667 0.00000
525 -0.0762 0.00000
526 0.0192 0.00000
527 0.2410 0.00000
528 -0.0085 0.00000
529 0.0847 0.00000
530 -0.0532 0.00000
531 0.0378 0.00000
532 -0.0102 0.00000
533 0.0307 0.00000
534 -0.0312 0.00000
535 0.0136 0.00000
536 0.0288 0.00000
537 0.0239 0.00000
538 -0.0570 0.00000
539 -0.1707 0.00000
540 0.0183 0.00000
541 -0.1004 0.00000
542 0.0351 0.00000
543 -0.0519 0.00000
544 0.0118 0.00000
545 0.0065 0.00000
546 0.0908 0.00000
547 0.1225 0.00000
548 -0.0272 0.00000
549 -0.0298 0.00000
550 0.0904 0.00000
551 0.0234 0.00000
552 0.0060 0.00000
553 0.0950 0.00000
554 0.0908 0.00000
555 0.0219 0.00000
556 0.0396 0.00000
557 0.0614 0.00000
558 0.0240 0.00000
559 0.0139 0.00000
560 0.2201 0.00000
561 0.0018 0.00000
562 0.0483 0.00000
563 0.1015 0.00000
564 0.1324 0.00000
565 0.1327 0.00000
566 0.0446 0.00000
567 0.0741 0.00000
568 0.0172 0.00000
569 -0.0263 0.00000
570 0.0282 0.00000
571 0.0473 0.00000
572 0.0313 0.00000
573 -0.0559 0.00000
574 0.0221 0.00000
575 -0.0073 0.00000
576 0.1157 0.00000
577 0.0792 0.00000
578 -0.0343 0.00000
579 0.0177 0.00000
580 0.1750 0.00000
581 0.0499 0.00000
582 0.0042 0.00000
583 0.0222 0.00000
584 0.0968 0.00000
585 0.0404 0.00000
586 -0.0122 0.00000
587 0.0675 0.00000
588 -0.0283 0.00000
589 0.0725 0.00000
590 -0.0280 0.00000
591 -0.0241 0.00000
592 0.0055 0.00000
593 0.0077 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0202 0.00000
597 -0.0297 0.00000
598 0.0292 0.00000
599 -0.0378 0.00000
600 -0.0903 0.00000
601 0.0609 0.00000
602 -0.0924 0.00000
603 -0.0148 0.00000
604 0.0002 0.00000
605 -0.0298 0.00000
606 0.0006 0.00000
607 0.0682 0.00000
608 0.0123 0.00000
609 0.0126 0.00000
610 -0.0245 0.00000
611 0.0572 0.00000
612 -0.0049 0.00000
613 0.0097 0.00000
614 0.0148 0.00000
615 0.0164 0.00000
616 0.0760 0.00000
617 -0.0212 0.00000
618 0.0419 0.00000
619 0.0035 0.00000
620 0.1870 0.00000
621 0.0137 0.00000
622 0.1133 0.00000
623 -0.0027 0.00000
624 -0.0050 0.00000
625 0.0187 0.00000
626 0.0366 0.00000
627 0.1134 0.00000
628 0.0351 0.00000
629 0.0364 0.00000
630 0.0581 0.00000
631 0.3217 0.00000
632 -0.0035 0.00000
633 0.0292 0.00000
634 0.0601 0.00000
635 -0.0029 0.00000
636 -0.0099 0.00000
637 0.0769 0.00000
638 -0.0290 0.00000
639 0.0689 0.00000
640 0.0585 0.00000
641 0.0977 0.00000
642 0.0326 0.00000
643 -0.0036 0.00000
644 -0.0291 0.00000
645 0.0179 0.00000
646 0.0258 0.00000
647 0.0562 0.00000
648 -0.0027 0.00000
649 0.0145 0.00000
650 -0.0075 0.00000
651 0.0491 0.00000
652 0.0226 0.00000
653 0.0109 0.00000
654 0.1972 0.00000
655 0.0037 0.00000
656 0.0252 0.00000
657 0.0156 0.00000
658 0.0502 0.00000
659 0.0535 0.00000
660 -0.0138 0.00000
661 0.0149 0.00000
662 0.0878 0.00000
663 0.0714 0.00000
664 0.1506 0.00000
665 0.1370 0.00000
666 0.0251 0.00000
667 0.0049 0.00000
668 -0.0086 0.00000
669 -0.0273 0.00000
670 0.0013 0.00000
671 -0.0065 0.00000
672 0.0070 0.00000
673 0.0327 0.00000
674 0.1041 0.00000
675 -0.0674 0.00000
676 0.0379 0.00000
677 0.0111 0.00000
678 0.0621 0.00000
679 0.0002 0.00000
680 0.0221 0.00000
681 0.0422 0.00000
682 0.0089 0.00000
683 0.0209 0.00000
684 0.0725 0.00000
685 0.0231 0.00000
686 0.0172 0.00000
687 0.0435 0.00000
688 0.0390 0.00000
689 -0.0035 0.00000
690 -0.0214 0.00000
691 0.0156 0.00000
692 0.0584 0.00000
693 -0.0380 0.00000
694 0.0543 0.00000
695 0.0260 0.00000
696 0.0839 0.00000
697 0.0089 0.00000
698 -0.0201 0.00000
699 0.0214 0.00000
700 -0.0246 0.00000
701 0.0055 0.00000
702 0.0370 0.00000
703 0.0105 0.00000
704 -0.0775 0.00000
705 0.0012 0.00000
706 -0.0542 0.00000
707 -0.0300 0.00000
708 0.0290 0.00000
709 0.0549 0.00000
710 0.0475 0.00000
711 -0.0110 0.00000
712 -0.0080 0.00000
713 0.0034 0.00000
714 -0.0466 0.00000
715 -0.0105 0.00000
716 0.0395 0.00000
717 0.0298 0.00000
718 -0.0645 0.00000
719 -0.0199 0.00000
720 0.0209 0.00000
721 -0.0196 0.00000
722 0.0149 0.00000
723 0.0171 0.00000
724 0.0252 0.00000
725 -0.0502 0.00000
726 0.0018 0.00000
727 0.0224 0.00000
728 -0.0454 0.00000
729 -0.0313 0.00000
730 -0.0186 0.00000
731 0.0235 0.00000
732 -0.0605 0.00000
733 0.0961 0.00000
734 0.0499 0.00000
735 -0.0556 0.00000
736 -0.0168 0.00000
737 0.0043 0.00000
738 0.0168 0.00000
739 0.0225 0.00000
740 -0.0064 0.00000
741 0.0253 0.00000
742 -0.0179 0.00000
743 0.1106 0.00000
744 0.0121 0.00000
745 -0.0057 0.00000
746 -0.0058 0.00000
747 -0.0762 0.00000
748 -0.0061 0.00000
749 0.0525 0.00000
750 0.0115 0.00000
751 0.0187 0.00000
752 0.0483 0.00000
753 -0.0009 0.00000
754 -0.0394 0.00000
755 0.0642 0.00000
756 0.0215 0.00000
757 0.0341 0.00000
758 0.0536 0.00000
759 0.0133 0.00000
760 0.0226 0.00000
761 0.0043 0.00000
762 0.0299 0.00000
763 -0.0294 0.00000
764 0.0304 0.00000
765 -0.0510 0.00000
766 -0.0137 0.00000
767 -0.0129 0.00000
768 0.0033 0.00000
769 0.0060 0.00000
770 0.0138 0.00000
771 -0.0212 0.00000
772 0.0799 0.00000
773 -0.0140 0.00000
774 0.0058 0.00000
775 0.0293 0.00000
776 0.0288 0.00000
777 0.0192 0.00000
778 -0.0162 0.00000
779 0.0043 0.00000
780 -0.0131 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0243 0.00000
4 0.0044 0.00000
5 -0.5207 0.00000
6 -0.3782 0.00000
7 0.0231 0.00000
8 -0.0374 0.00000
9 -1.2773 0.00000
10 -0.6539 0.00000
11 -0.0593 0.00000
12 -0.0544 0.00000
13 0.0151 0.00000
14 0.0693 0.00000
15 0.0288 0.00000
16 -0.1304 0.00000
17 -0.0779 0.00000
18 -0.2180 0.00000
19 0.0265 0.00000
20 -0.0048 0.00000
21 0.0375 0.00000
22 -0.3504 0.00000
23 -0.0038 0.00000
24 -0.1889 0.00000
25 -0.3731 0.00000
26 0.1478 0.00000
27 0.1799 0.00000
28 0.0437 0.00000
29 -0.1127 0.00000
30 0.0101 0.00000
31 -0.0697 0.00000
32 0.2055 0.00000
33 0.0696 0.00000
34 0.1369 0.00000
35 0.0376 0.00000
36 -0.3665 0.00000
37 0.0837 0.00000
38 -0.0520 0.00000
39 -0.3329 0.00000
40 0.0537 0.00000
41 -0.1490 0.00000
42 -0.0337 0.00000
43 0.2446 0.00000
44 0.0720 0.00000
45 -0.6663 0.00000
46 -0.0648 0.00000
47 -0.1028 0.00000
48 -0.2797 0.00000
49 -0.2043 0.00000
50 -0.2891 0.00000
51 -0.1294 0.00000
52 -0.0439 0.00000
53 -0.0044 0.00000
54 0.0352 0.00000
55 -0.0842 0.00000
56 -0.5404 0.00000
57 0.0843 0.00000
58 -0.2547 0.00000
59 -0.2098 0.00000
60 -0.2756 0.00000
61 -0.1385 0.00000
62 -0.0460 0.00000
63 -0.2190 0.00000
64 -0.3056 0.00000
65 0.0290 0.00000
66 -0.0756 0.00000
67 -0.4661 0.00000
68 -0.3562 0.00000
69 -0.0028 0.00000
70 -0.0025 0.00000
71 0.2331 0.00000
72 0.0537 0.00000
73 -0.0383 0.00000
74 -0.0152 0.00000
75 -0.0115 0.00000
76 0.0034 0.00000
77 -0.0140 0.00000
78 0.0442 0.00000
79 -0.0224 0.00000
80 -0.0319 0.00000
81 0.0636 0.00000
82 0.1214 0.00000
83 0.0294 0.00000
84 -0.0233 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0222 0.00000
90 0.0826 0.00000
91 0.0081 0.00000
92 0.0112 0.00000
93 0.0142 0.00000
94 -0.0536 0.00000
95 -0.0909 0.00000
96 -0.0495 0.00000
97 0.0673 0.00000
98 0.1544 0.00000
99 0.0351 0.00000
100 -0.0904 0.00000
101 0.2017 0.00000
102 0.4050 0.00000
103 0.1084 0.00000
104 0.0558 0.00000
105 0.1166 0.00000
106 0.0247 0.00000
107 -0.0911 0.00000
108 0.1397 0.00000
109 0.0275 0.00000
110 0.1845 0.00000
111 -0.0891 0.00000
112 -0.0015 0.00000
113 -0.0187 0.00000
114 0.1090 0.00000
115 0.0414 0.00000
116 -0.0285 0.00000
117 0.0957 0.00000
118 -0.0414 0.00000
119 0.0183 0.00000
120 0.0607 0.00000
121 0.2346 0.00000
122 0.1928 0.00000
123 0.0392 0.00000
124 0.1148 0.00000
125 0.0235 0.00000
126 0.1829 0.00000
127 -0.0019 0.00000
128 -0.0186 0.00000
129 -0.0367 0.00000
130 0.0957 0.00000
131 -0.0052 0.00000
132 -0.0387 0.00000
133 0.0149 0.00000
134 0.1066 0.00000
135 -0.0466 0.00000
136 0.0998 0.00000
137 -0.1124 0.00000
138 0.2303 0.00000
139 0.1010 0.00000
140 0.0031 0.00000
141 0.0780 0.00000
142 -0.0209 0.00000
143 0.0302 0.00000
144 -0.0203 0.00000
145 -0.0449 0.00000
146 -0.0200 0.00000
147 0.0229 0.00000
148 -0.0796 0.00000
149 -0.5708 0.00000
150 0.0347 0.00000
151 -0.6229 0.00000
152 -0.0684 0.00000
153 -0.2705 0.00000
154 -0.0919 0.00000
155 -0.0509 0.00000
156 -0.0266 0.00000
157 0.0084 0.00000
158 -0.2042 0.00000
159 -0.0616 0.00000
160 0.0050 0.00000
161 -0.0511 0.00000
162 -0.0853 0.00000
163 -0.0835 0.00000
164 0.1206 0.00000
165 0.0327 0.00000
166 -0.0629 0.00000
167 0.0267 0.00000
168 0.0216 0.00000
169 0.0023 0.00000
170 -0.0286 0.00000
171 0.0636 0.00000
172 -0.0049 0.00000
173 -0.0512 0.00000
174 0.0051 0.00000
175 -0.1140 0.00000
176 -0.0453 0.00000
177 0.0293 0.00000
178 0.0228 0.00000
179 -0.0430 0.00000
180 0.0273 0.00000
181 -0.1100 0.00000
182 0.0392 0.00000
183 -0.0285 0.00000
184 -0.0061 0.00000
185 0.0425 0.00000
186 -0.0040 0.00000
187 -0.3788 0.00000
188 -0.0883 0.00000
189 -0.0142 0.00000
190 0.0661 0.00000
191 0.0099 0.00000
192 -0.1113 0.00000
193 -0.0712 0.00000
194 0.0882 0.00000
195 -0.0885 0.00000
196 -0.0086 0.00000
197 -0.0619 0.00000
198 -0.1504 0.00000
199 -0.0050 0.00000
200 -0.1638 0.00000
201 -0.0178 0.00000
202 -0.1504 0.00000
203 -0.3338 0.00000
204 -0.1249 0.00000
205 -0.2186 0.00000
206 -0.0865 0.00000
207 -0.1769 0.00000
208 -0.1454 0.00000
209 -0.2088 0.00000
210 -0.1831 0.00000
211 -0.1309 0.00000
212 -0.1127 0.00000
213 0.0219 0.00000
214 -0.2047 0.00000
215 -0.1770 0.00000
216 -0.0779 0.00000
217 -0.0298 0.00000
218 0.1538 0.00000
219 -0.7831 0.00000
220 -0.1060 0.00000
221 -0.3820 0.00000
222 -0.0286 0.00000
223 -0.0877 0.00000
224 -0.2927 0.00000
225 -0.1217 0.00000
226 0.0168 0.00000
227 0.0172 0.00000
228 -0.0329 0.00000
229 0.0630 0.00000
230 0.0411 0.00000
231 -0.0235 0.00000
232 0.0027 0.00000
233 0.0208 0.00000
234 0.0719 0.00000
235 -0.0367 0.00000
236 -0.0124 0.00000
237 0.0532 0.00000
238 -0.0285 0.00000
239 -0.0033 0.00000
240 0.0243 0.00000
241 -0.0133 0.00000
242 0.0030 0.00000
243 0.0977 0.00000
244 0.0952 0.00000
245 0.2040 0.00000
246 0.0302 0.00000
247 0.0967 0.00000
248 0.7152 0.00000
249 0.0168 0.00000
250 -0.0316 0.00000
251 -0.0087 0.00000
252 -0.0780 0.00000
253 0.0462 0.00000
254 0.0268 0.00000
255 -0.0256 0.00000
256 0.0696 0.00000
257 -0.0117 0.00000
258 0.0142 0.00000
259 0.0144 0.00000
260 -0.0090 0.00000
261 -0.0416 0.00000
262 0.0314 0.00000
263 0.0204 0.00000
264 0.0634 0.00000
265 0.0181 0.00000
266 0.0136 0.00000
267 0.0086 0.00000
268 -0.0140 0.00000
269 0.0109 0.00000
270 0.0073 0.00000
271 0.0225 0.00000
272 0.0764 0.00000
273 0.0436 0.00000
274 0.1004 0.00000
275 0.0165 0.00000
276 0.1532 0.00000
277 0.1311 0.00000
278 0.0388 0.00000
279 0.0248 0.00000
280 0.2096 0.00000
281 -0.0485 0.00000
282 -0.0177 0.00000
283 -0.0028 0.00000
284 0.0245 0.00000
285 0.0928 0.00000
286 0.0906 0.00000
287 0.0009 0.00000
288 0.0061 0.00000
289 0.0368 0.00000
290 0.0161 0.00000
291 0.0314 0.00000
292 0.0415 0.00000
293 -0.0375 0.00000
294 0.0041 0.00000
295 0.0448 0.00000
296 -0.0159 0.00000
297 0.0347 0.00000
298 0.0884 0.00000
299 0.0370 0.00000
300 0.0179 0.00000
301 0.0106 0.00000
302 0.0420 0.00000
303 0.0113 0.00000
304 -0.0022 0.00000
305 0.0746 0.00000
306 0.0839 0.00000
307 -0.0092 0.00000
308 0.0256 0.00000
309 -0.0140 0.00000
310 0.0491 0.00000
311 0.0617 0.00000
312 -0.0118 0.00000
313 -0.0009 0.00000
314 -0.0290 0.00000
315 -0.0147 0.00000
316 0.0694 0.00000
317 0.0201 0.00000
318 -0.0492 0.00000
319 0.0377 0.00000
320 -0.0025 0.00000
321 -0.0335 0.00000
322 0.1488 0.00000
323 -0.0314 0.00000
324 -0.0247 0.00000
325 -0.0020 0.00000
326 0.0198 0.00000
327 -0.0562 0.00000
328 0.0648 0.00000
329 -0.0890 0.00000
330 0.0307 0.00000
331 -0.0520 0.00000
332 0.0099 0.00000
333 0.0019 0.00000
334 -0.0662 0.00000
335 0.0191 0.00000
336 -0.0719 0.00000
337 -0.0682 0.00000
338 -0.0521 0.00000
339 0.0796 0.00000
340 -0.0495 0.00000
341 0.0203 0.00000
342 0.0265 0.00000
343 -0.0363 0.00000
344 -0.0522 0.00000
345 0.0109 0.00000
346 -0.0113 0.00000
347 0.0001 0.00000
348 -0.0801 0.00000
349 -0.0949 0.00000
350 -0.0045 0.00000
351 -0.0104 0.00000
352 -0.0264 0.00000
353 -0.2629 0.00000
354 -0.0303 0.00000
355 0.0185 0.00000
356 -0.1397 0.00000
357 0.0024 0.00000
358 -0.0496 0.00000
359 -0.2512 0.00000
360 -0.0009 0.00000
361 0.0375 0.00000
362 -0.0803 0.00000
363 -0.0073 0.00000
364 -0.0425 0.00000
365 -0.0766 0.00000
366 -0.0212 0.00000
367 -0.0825 0.00000
368 0.0458 0.00000
369 0.0050 0.00000
370 -0.1164 0.00000
371 0.2078 0.00000
372 0.1209 0.00000
373 -0.0197 0.00000
374 -0.0690 0.00000
375 0.0076 0.00000
376 0.0608 0.00000
377 -0.0343 0.00000
378 -0.0892 0.00000
379 -0.0850 0.00000
380 -0.0478 0.00000
381 0.0484 0.00000
382 -0.0013 0.00000
383 -0.0028 0.00000
384 0.0108 0.00000
385 -0.3153 0.00000
386 -0.0495 0.00000
387 0.0231 0.00000
388 -0.1359 0.00000
389 -0.0499 0.00000
390 0.0250 0.00000
391 -0.0121 0.00000
392 0.0339 0.00000
393 0.0093 0.00000
394 -0.0167 0.00000
395 -0.0040 0.00000
396 -0.1742 0.00000
397 -0.0429 0.00000
398 -0.1373 0.00000
399 -0.0781 0.00000
400 -0.0769 0.00000
401 -0.0702 0.00000
402 -0.1607 0.00000
403 -0.0341 0.00000
404 -0.1337 0.00000
405 0.0276 0.00000
406 -0.2561 0.00000
407 -0.0354 0.00000
408 -0.0504 0.00000
409 -0.1434 0.00000
410 -0.0500 0.00000
411 -0.2533 0.00000
412 -0.0960 0.00000
413 -0.0857 0.00000
414 -0.0991 0.00000
415 0.0278 0.00000
416 0.0050 0.00000
417 -0.1053 0.00000
418 -0.0598 0.00000
419 0.0133 0.00000
420 -0.0320 0.00000
421 -0.0182 0.00000
422 -0.1229 0.00000
423 0.0095 0.00000
424 0.0237 0.00000
425 0.0070 0.00000
426 -0.0866 0.00000
427 -0.0543 0.00000
428 -0.0141 0.00000
429 0.0536 0.00000
430 -0.0283 0.00000
431 -0.1169 0.00000
432 0.0340 0.00000
433 -0.0322 0.00000
434 0.0081 0.00000
435 0.0580 0.00000
436 -0.0636 0.00000
437 -0.0094 0.00000
438 -0.0748 0.00000
439 -0.0563 0.00000
440 -0.0470 0.00000
441 -0.0831 0.00000
442 -0.0067 0.00000
443 -0.0517 0.00000
444 -0.0906 0.00000
445 -0.0396 0.00000
446 -0.0432 0.00000
447 0.0069 0.00000
448 -0.1258 0.00000
449 0.0366 0.00000
450 0.0102 0.00000
451 0.0191 0.00000
452 -0.0658 0.00000
453 -0.0738 0.00000
454 0.0190 0.00000
455 -0.1801 0.00000
456 -0.0226 0.00000
457 0.0442 0.00000
458 -0.0190 0.00000
459 -0.0208 0.00000
460 0.0095 0.00000
461 -0.1278 0.00000
462 0.0159 0.00000
463 0.0384 0.00000
464 -0.0009 0.00000
465 -0.0852 0.00000
466 0.0142 0.00000
467 0.0081 0.00000
468 -0.0284 0.00000
469 -0.0315 0.00000
470 -0.1008 0.00000
471 -0.0631 0.00000
472 0.0913 0.00000
473 -0.0462 0.00000
474 -0.0920 0.00000
475 -0.0454 0.00000
476 -0.0037 0.00000
477 0.0415 0.00000
478 0.0207 0.00000
479 -0.0196 0.00000
480 -0.0741 0.00000
481 0.0169 0.00000
482 -0.0616 0.00000
483 -0.0127 0.00000
484 -0.0280 0.00000
485 -0.0393 0.00000
486 0.1951 0.00000
487 -0.0961 0.00000
488 -0.0519 0.00000
489 0.0356 0.00000
490 -0.0008 0.00000
491 0.0125 0.00000
492 0.0280 0.00000
493 -0.0200 0.00000
494 -0.0253 0.00000
495 -0.0563 0.00000
496 -0.0241 0.00000
497 -0.0327 0.00000
498 -0.0221 0.00000
499 -0.2965 0.00000
500 0.0220 0.00000
501 -0.0275 0.00000
502 0.0124 0.00000
503 -0.0313 0.00000
504 -0.1194 0.00000
505 -0.0800 0.00000
506 -0.1204 0.00000
507 0.0566 0.00000
508 -0.0814 0.00000
509 -0.0616 0.00000
510 -0.3508 0.00000
511 -0.0660 0.00000
512 0.0012 0.00000
513 -0.0505 0.00000
514 -0.1052 0.00000
515 0.0353 0.00000
516 -0.0600 0.00000
517 0.0292 0.00000
518 0.0353 0.00000
519 -0.0007 0.00000
520 0.0335 0.00000
521 -0.1684 0.00000
522 -0.0291 0.00000
523 -0.1734 0.00000
524 0.0280 0.00000
525 -0.0096 0.00000
526 -0.0490 0.00000
527 0.1709 0.00000
528 -0.1242 0.00000
529 0.2972 0.00000
530 0.0057 0.00000
531 -0.0169 0.00000
532 -0.0244 0.00000
533 0.0633 0.00000
534 -0.0412 0.00000
535 -0.0168 0.00000
536 -0.0959 0.00000
537 -0.2023 0.00000
538 -0.0323 0.00000
539 0.0505 0.00000
540 0.0058 0.00000
541 -0.0637 0.00000
542 -0.0343 0.00000
543 0.1049 0.00000
544 0.0901 0.00000
545 -0.0332 0.00000
546 -0.0469 0.00000
547 0.0223 0.00000
548 -0.0198 0.00000
549 0.0230 0.00000
550 0.0402 0.00000
551 0.0935 0.00000
552 0.0123 0.00000
553 0.0273 0.00000
554 0.0314 0.00000
555 0.0678 0.00000
556 0.0652 0.00000
557 0.0791 0.00000
558 0.0029 0.00000
559 0.1092 0.00000
560 0.0721 0.00000
561 0.2140 0.00000
562 0.0282 0.00000
563 0.0681 0.00000
564 0.1104 0.00000
565 0.1266 0.00000
566 0.0441 0.00000
567 -0.0259 0.00000
568 0.0689 0.00000
569 0.0220 0.00000
570 0.0172 0.00000
571 0.0402 0.00000
572 0.0096 0.00000
573 -0.0128 0.00000
574 -0.0415 0.00000
575 0.1497 0.00000
576 0.1149 0.00000
577 0.0397 0.00000
578 -0.0800 0.00000
579 -0.0012 0.00000
580 0.2071 0.00000
581 0.0464 0.00000
582 0.0412 0.00000
583 -0.0353 0.00000
584 0.1864 0.00000
585 -0.0199 0.00000
586 -0.0292 0.00000
587 0.0638 0.00000
588 -0.0409 0.00000
589 0.0727 0.00000
590 -0.0289 0.00000
591 -0.0187 0.00000
592 0.0019 0.00000
593 0.0081 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0202 0.00000
597 -0.0296 0.00000
598 0.0352 0.00000
599 -0.0114 0.00000
600 -0.0087 0.00000
601 -0.1997 0.00000
602 -0.0194 0.00000
603 0.0217 0.00000
604 0.0933 0.00000
605 0.0057 0.00000
606 0.0001 0.00000
607 -0.0453 0.00000
608 -0.0037 0.00000
609 0.0307 0.00000
610 0.0816 0.00000
611 0.0257 0.00000
612 -0.0366 0.00000
613 0.0160 0.00000
614 0.0997 0.00000
615 0.0604 0.00000
616 0.0576 0.00000
617 -0.0119 0.00000
618 0.0410 0.00000
619 0.0027 0.00000
620 -0.0182 0.00000
621 0.0018 0.00000
622 0.0145 0.00000
623 0.0258 0.00000
624 0.0943 0.00000
625 0.0681 0.00000
626 0.0072 0.00000
627 0.0272 0.00000
628 0.0229 0.00000
629 -0.0297 0.00000
630 0.3059 0.00000
631 0.0067 0.00000
632 0.0680 0.00000
633 0.1932 0.00000
634 0.0786 0.00000
635 -0.0176 0.00000
636 0.0443 0.00000
637 0.0416 0.00000
638 -0.0126 0.00000
639 -0.0045 0.00000
640 0.0627 0.00000
641 0.1081 0.00000
642 -0.0384 0.00000
643 0.0393 0.00000
644 0.0129 0.00000
645 0.0291 0.00000
646 0.0690 0.00000
647 0.0179 0.00000
648 0.0743 0.00000
649 0.0436 0.00000
650 0.0279 0.00000
651 0.0361 0.00000
652 -0.0127 0.00000
653 -0.0190 0.00000
654 -0.0014 0.00000
655 0.0491 0.00000
656 0.0933 0.00000
657 0.0209 0.00000
658 0.0030 0.00000
659 0.0140 0.00000
660 0.0410 0.00000
661 0.2553 0.00000
662 0.0735 0.00000
663 0.0439 0.00000
664 0.0020 0.00000
665 0.0197 0.00000
666 0.0057 0.00000
667 0.0310 0.00000
668 0.0121 0.00000
669 0.0562 0.00000
670 0.0125 0.00000
671 0.0611 0.00000
672 0.0403 0.00000
673 -0.0128 0.00000
674 0.0131 0.00000
675 -0.0231 0.00000
676 -0.0253 0.00000
677 0.0155 0.00000
678 -0.0220 0.00000
679 0.0493 0.00000
680 -0.0341 0.00000
681 0.1137 0.00000
682 0.0308 0.00000
683 -0.0029 0.00000
684 0.2065 0.00000
685 -0.0111 0.00000
686 0.0025 0.00000
687 -0.0330 0.00000
688 0.0286 0.00000
689 0.0525 0.00000
690 0.0295 0.00000
691 0.0044 0.00000
692 -0.0231 0.00000
693 0.0230 0.00000
694 0.0354 0.00000
695 0.0036 0.00000
696 0.0094 0.00000
697 -0.0246 0.00000
698 0.0134 0.00000
699 0.0075 0.00000
700 0.0086 0.00000
701 0.0498 0.00000
702 0.0273 0.00000
703 0.0526 0.00000
704 -0.0169 0.00000
705 0.0152 0.00000
706 -0.0401 0.00000
707 0.0585 0.00000
708 -0.0495 0.00000
709 -0.0303 0.00000
710 -0.0159 0.00000
711 0.0071 0.00000
712 -0.0413 0.00000
713 0.0431 0.00000
714 -0.0293 0.00000
715 0.0001 0.00000
716 -0.0159 0.00000
717 -0.0302 0.00000
718 -0.0101 0.00000
719 0.0144 0.00000
720 -0.0383 0.00000
721 -0.0266 0.00000
722 0.0540 0.00000
723 0.0214 0.00000
724 -0.0260 0.00000
725 0.0309 0.00000
726 0.0151 0.00000
727 0.0202 0.00000
728 0.0300 0.00000
729 0.0025 0.00000
730 -0.0431 0.00000
731 0.0355 0.00000
732 0.0150 0.00000
733 0.0256 0.00000
734 -0.0300 0.00000
735 0.0292 0.00000
736 -0.0055 0.00000
737 0.0443 0.00000
738 0.0489 0.00000
739 0.0037 0.00000
740 0.0151 0.00000
741 0.0198 0.00000
742 0.0053 0.00000
743 0.0093 0.00000
744 -0.0719 0.00000
745 -0.0335 0.00000
746 0.0031 0.00000
747 0.0357 0.00000
748 0.0101 0.00000
749 0.0110 0.00000
750 -0.0212 0.00000
751 0.0185 0.00000
752 0.0518 0.00000
753 0.0337 0.00000
754 -0.0101 0.00000
755 0.0279 0.00000
756 -0.0030 0.00000
757 -0.0349 0.00000
758 0.0169 0.00000
759 0.0092 0.00000
760 -0.0447 0.00000
761 -0.0089 0.00000
762 0.0166 0.00000
763 -0.0163 0.00000
764 -0.0112 0.00000
765 0.0021 0.00000
766 0.0652 0.00000
767 0.0241 0.00000
768 -0.0009 0.00000
769 -0.0026 0.00000
770 0.0229 0.00000
771 0.0133 0.00000
772 0.0097 0.00000
773 0.0034 0.00000
774 0.0707 0.00000
775 0.0045 0.00000
776 0.0340 0.00000
777 0.0320 0.00000
778 0.0338 0.00000
779 -0.0042 0.00000
780 -0.0389 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0244 0.00000
4 -0.0136 0.00000
5 -0.5015 0.00000
6 -0.3827 0.00000
7 0.0229 0.00000
8 -0.0356 0.00000
9 -1.2684 0.00000
10 -0.6540 0.00000
11 -0.0656 0.00000
12 -0.0548 0.00000
13 0.0150 0.00000
14 0.0694 0.00000
15 0.0289 0.00000
16 -0.1484 0.00000
17 -0.0915 0.00000
18 -0.1819 0.00000
19 0.0195 0.00000
20 -0.0080 0.00000
21 0.0382 0.00000
22 -0.3251 0.00000
23 0.0305 0.00000
24 -0.0860 0.00000
25 -0.5914 0.00000
26 0.1499 0.00000
27 0.1432 0.00000
28 0.1292 0.00000
29 -0.0653 0.00000
30 0.0389 0.00000
31 -0.0719 0.00000
32 0.1661 0.00000
33 0.1108 0.00000
34 0.1194 0.00000
35 0.0302 0.00000
36 -0.4390 0.00000
37 0.0594 0.00000
38 -0.0654 0.00000
39 0.0378 0.00000
40 -0.2307 0.00000
41 -0.1310 0.00000
42 -0.1369 0.00000
43 0.2492 0.00000
44 -0.1841 0.00000
45 -0.1978 0.00000
46 -0.1178 0.00000
47 -0.0676 0.00000
48 -0.4236 0.00000
49 -0.3608 0.00000
50 -0.1931 0.00000
51 0.0371 0.00000
52 -0.1782 0.00000
53 -0.0114 0.00000
54 0.0333 0.00000
55 0.0875 0.00000
56 -0.7990 0.00000
57 -0.0622 0.00000
58 0.0888 0.00000
59 -0.2980 0.00000
60 -0.2608 0.00000
61 -0.0214 0.00000
62 -0.1039 0.00000
63 -0.4164 0.00000
64 -0.3118 0.00000
65 -0.0618 0.00000
66 -0.0228 0.00000
67 -0.3631 0.00000
68 -0.2595 0.00000
69 0.0076 0.00000
70 -0.0066 0.00000
71 0.2332 0.00000
72 0.0532 0.00000
73 -0.0617 0.00000
74 0.0008 0.00000
75 -0.0133 0.00000
76 0.0033 0.00000
77 -0.0160 0.00000
78 0.0388 0.00000
79 -0.0159 0.00000
80 -0.0323 0.00000
81 0.0636 0.00000
82 0.1215 0.00000
83 0.0294 0.00000
84 -0.0232 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0224 0.00000
90 0.0847 0.00000
91 0.0088 0.00000
92 0.0096 0.00000
93 0.0294 0.00000
94 -0.0501 0.00000
95 -0.0907 0.00000
96 -0.0805 0.00000
97 0.0537 0.00000
98 0.0656 0.00000
99 0.1666 0.00000
100 -0.1103 0.00000
101 0.2258 0.00000
102 0.3855 0.00000
103 0.1471 0.00000
104 0.0238 0.00000
105 0.1204 0.00000
106 0.0197 0.00000
107 -0.0629 0.00000
108 0.0813 0.00000
109 0.0577 0.00000
110 -0.0137 0.00000
111 0.1399 0.00000
112 -0.0776 0.00000
113 0.0135 0.00000
114 0.0840 0.00000
115 0.0764 0.00000
116 -0.0307 0.00000
117 0.0951 0.00000
118 -0.0362 0.00000
119 0.0206 0.00000
120 0.0264 0.00000
121 0.3248 0.00000
122 0.1127 0.00000
123 0.1621 0.00000
124 0.0372 0.00000
125 -0.0097 0.00000
126 0.1698 0.00000
127 -0.0169 0.00000
128 0.0301 0.00000
129 -0.0399 0.00000
130 0.0745 0.00000
131 -0.0189 0.00000
132 0.0063 0.00000
133 -0.0089 0.00000
134 0.1045 0.00000
135 -0.0468 0.00000
136 0.1204 0.00000
137 -0.1324 0.00000
138 0.2247 0.00000
139 0.1067 0.00000
140 0.0121 0.00000
141 0.0769 0.00000
142 -0.0197 0.00000
143 0.0236 0.00000
144 -0.0246 0.00000
145 -0.0440 0.00000
146 -0.0169 0.00000
147 0.0216 0.00000
148 -0.0914 0.00000
149 -0.5781 0.00000
150 -0.0316 0.00000
151 -0.4191 0.00000
152 -0.0484 0.00000
153 -0.2721 0.00000
154 -0.3755 0.00000
155 0.0113 0.00000
156 -0.0253 0.00000
157 0.0444 0.00000
158 -0.0412 0.00000
159 -0.0616 0.00000
160 -0.0457 0.00000
161 -0.1024 0.00000
162 -0.1671 0.00000
163 -0.0633 0.00000
164 0.1352 0.00000
165 0.0311 0.00000
166 -0.0502 0.00000
167 0.0120 0.00000
168 0.0458 0.00000
169 0.0059 0.00000
170 -0.0259 0.00000
171 0.0587 0.00000
172 -0.0078 0.00000
173 -0.0356 0.00000
174 -0.0539 0.00000
175 0.0166 0.00000
176 0.0682 0.00000
177 -0.0547 0.00000
178 -0.0530 0.00000
179 -0.0463 0.00000
180 -0.0137 0.00000
181 -0.0786 0.00000
182 -0.0191 0.00000
183 -0.0450 0.00000
184 0.0166 0.00000
185 0.0478 0.00000
186 0.0096 0.00000
187 -0.2753 0.00000
188 -0.0458 0.00000
189 -0.0206 0.00000
190 -0.0320 0.00000
191 -0.0221 0.00000
192 -0.0394 0.00000
193 -0.1154 0.00000
194 -0.0354 0.00000
195 -0.1330 0.00000
196 0.0281 0.00000
197 -0.0517 0.00000
198 -0.0285 0.00000
199 0.0033 0.00000
200 -0.0402 0.00000
201 -0.2143 0.00000
202 -0.1036 0.00000
203 -0.0212 0.00000
204 -0.5039 0.00000
205 -0.1490 0.00000
206 -0.2549 0.00000
207 -0.1675 0.00000
208 -0.0144 0.00000
209 -0.0996 0.00000
210 -0.2672 0.00000
211 -0.0589 0.00000
212 -0.0952 0.00000
213 -0.2078 0.00000
214 -0.1688 0.00000
215 -0.0847 0.00000
216 0.0222 0.00000
217 -0.1836 0.00000
218 0.1469 0.00000
219 -0.1701 0.00000
220 -0.3260 0.00000
221 -0.4929 0.00000
222 -0.2650 0.00000
223 -0.2516 0.00000
224 -0.1311 0.00000
225 -0.0774 0.00000
226 -0.0157 0.00000
227 0.0127 0.00000
228 -0.0302 0.00000
229 0.0625 0.00000
230 0.0549 0.00000
231 -0.0217 0.00000
232 -0.0054 0.00000
233 0.0281 0.00000
234 0.0772 0.00000
235 -0.0281 0.00000
236 -0.0031 0.00000
237 -0.0302 0.00000
238 0.0228 0.00000
239 0.0065 0.00000
240 0.0133 0.00000
241 -0.0329 0.00000
242 0.1412 0.00000
243 0.0593 0.00000
244 -0.0029 0.00000
245 0.0422 0.00000
246 0.2119 0.00000
247 0.3106 0.00000
248 0.3544 0.00000
249 0.0697 0.00000
250 0.0527 0.00000
251 0.0256 0.00000
252 -0.1241 0.00000
253 0.1189 0.00000
254 0.0083 0.00000
255 0.0114 0.00000
256 0.0407 0.00000
257 -0.0228 0.00000
258 -0.0131 0.00000
259 -0.0065 0.00000
260 -0.0249 0.00000
261 0.0547 0.00000
262 0.0455 0.00000
263 -0.0310 0.00000
264 0.0263 0.00000
265 0.0146 0.00000
266 0.0034 0.00000
267 0.0214 0.00000
268 0.0658 0.00000
269 -0.0206 0.00000
270 0.0379 0.00000
271 0.0291 0.00000
272 0.0225 0.00000
273 0.1174 0.00000
274 0.0929 0.00000
275 0.2074 0.00000
276 0.0051 0.00000
277 0.0351 0.00000
278 0.0167 0.00000
279 0.0817 0.00000
280 0.0179 0.00000
281 0.0717 0.00000
282 0.0237 0.00000
283 -0.0632 0.00000
284 0.0976 0.00000
285 0.0858 0.00000
286 -0.0435 0.00000
287 -0.0178 0.00000
288 0.0410 0.00000
289 0.0618 0.00000
290 0.0531 0.00000
291 -0.0443 0.00000
292 0.0394 0.00000
293 0.1213 0.00000
294 -0.0339 0.00000
295 0.0396 0.00000
296 -0.0345 0.00000
297 0.0295 0.00000
298 -0.0198 0.00000
299 0.0967 0.00000
300 0.0386 0.00000
301 0.0003 0.00000
302 0.0702 0.00000
303 0.0835 0.00000
304 -0.0409 0.00000
305 0.0373 0.00000
306 0.0192 0.00000
307 -0.0284 0.00000
308 0.0467 0.00000
309 0.0200 0.00000
310 0.0088 0.00000
311 0.2325 0.00000
312 0.0074 0.00000
313 0.0015 0.00000
314 -0.0300 0.00000
315 0.0253 0.00000
316 0.0637 0.00000
317 -0.0029 0.00000
318 -0.0175 0.00000
319 -0.0914 0.00000
320 0.0756 0.00000
321 0.0329 0.00000
322 -0.0881 0.00000
323 -0.0361 0.00000
324 0.0048 0.00000
325 0.0074 0.00000
326 -0.0138 0.00000
327 -0.0269 0.00000
328 -0.0320 0.00000
329 0.0009 0.00000
330 -0.0310 0.00000
331 -0.0300 0.00000
332 0.0160 0.00000
333 -0.0157 0.00000
334 0.0256 0.00000
335 -0.0506 0.00000
336 -0.0144 0.00000
337 -0.0356 0.00000
338 -0.0237 0.00000
339 -0.0284 0.00000
340 0.0329 0.00000
341 0.1163 0.00000
342 0.0249 0.00000
343 -0.0694 0.00000
344 -0.0206 0.00000
345 -0.0295 0.00000
346 -0.1228 0.00000
347 -0.0843 0.00000
348 -0.0887 0.00000
349 -0.0233 0.00000
350 -0.0199 0.00000
351 -0.0076 0.00000
352 -0.0689 0.00000
353 -0.0490 0.00000
354 0.0092 0.00000
355 -0.0771 0.00000
356 -0.0516 0.00000
357 -0.1069 0.00000
358 -0.0606 0.00000
359 -0.0339 0.00000
360 0.0356 0.00000
361 -0.0209 0.00000
362 -0.1050 0.00000
363 -0.0524 0.00000
364 -0.1063 0.00000
365 -0.0145 0.00000
366 -0.0041 0.00000
367 -0.0259 0.00000
368 -0.0537 0.00000
369 -0.0391 0.00000
370 -0.1024 0.00000
371 0.1593 0.00000
372 -0.0740 0.00000
373 -0.0403 0.00000
374 -0.0036 0.00000
375 -0.0096 0.00000
376 0.0012 0.00000
377 0.0258 0.00000
378 0.0333 0.00000
379 -0.0066 0.00000
380 -0.0733 0.00000
381 0.0099 0.00000
382 -0.0004 0.00000
383 -0.0554 0.00000
384 -0.2954 0.00000
385 0.0122 0.00000
386 0.0007 0.00000
387 -0.0639 0.00000
388 -0.0167 0.00000
389 0.0484 0.00000
390 -0.0028 0.00000
391 -0.0404 0.00000
392 -0.1286 0.00000
393 -0.0333 0.00000
394 -0.1952 0.00000
395 0.0105 0.00000
396 -0.0920 0.00000
397 0.0106 0.00000
398 0.0102 0.00000
399 -0.0354 0.00000
400 -0.0338 0.00000
401 -0.0786 0.00000
402 0.0043 0.00000
403 -0.0454 0.00000
404 -0.1378 0.00000
405 -0.0117 0.00000
406 -0.1273 0.00000
407 -0.5145 0.00000
408 -0.0744 0.00000
409 -0.1270 0.00000
410 -0.0261 0.00000
411 -0.2523 0.00000
412 -0.0056 0.00000
413 0.0094 0.00000
414 -0.1592 0.00000
415 0.0135 0.00000
416 0.0265 0.00000
417 -0.0040 0.00000
418 -0.0507 0.00000
419 -0.0372 0.00000
420 -0.0781 0.00000
421 -0.1481 0.00000
422 0.0402 0.00000
423 -0.0362 0.00000
424 -0.0232 0.00000
425 0.0186 0.00000
426 -0.0228 0.00000
427 -0.0416 0.00000
428 0.0530 0.00000
429 -0.0219 0.00000
430 -0.0246 0.00000
431 -0.1367 0.00000
432 -0.1678 0.00000
433 -0.0257 0.00000
434 0.0765 0.00000
435 -0.0256 0.00000
436 -0.1014 0.00000
437 -0.0153 0.00000
438 0.0022 0.00000
439 -0.0138 0.00000
440 0.0353 0.00000
441 -0.0194 0.00000
442 0.0123 0.00000
443 -0.0400 0.00000
444 -0.1136 0.00000
445 -0.0276 0.00000
446 -0.0095 0.00000
447 -0.0051 0.00000
448 -0.1580 0.00000
449 -0.0920 0.00000
450 -0.0117 0.00000
451 -0.1007 0.00000
452 0.0873 0.00000
453 -0.0383 0.00000
454 -0.0760 0.00000
455 -0.0013 0.00000
456 -0.0621 0.00000
457 0.0191 0.00000
458 -0.0204 0.00000
459 0.0725 0.00000
460 -0.0761 0.00000
461 0.0148 0.00000
462 -0.0382 0.00000
463 0.0641 0.00000
464 -0.0203 0.00000
465 -0.1020 0.00000
466 0.0110 0.00000
467 0.0275 0.00000
468 -0.0070 0.00000
469 -0.0593 0.00000
470 -0.0163 0.00000
471 -0.0174 0.00000
472 0.0073 0.00000
473 0.0105 0.00000
474 -0.0618 0.00000
475 -0.0619 0.00000
476 -0.0654 0.00000
477 0.0524 0.00000
478 0.0022 0.00000
479 0.0208 0.00000
480 0.0469 0.00000
481 0.0329 0.00000
482 -0.0599 0.00000
483 0.0401 0.00000
484 0.0009 0.00000
485 -0.0631 0.00000
486 -0.0318 0.00000
487 -0.0450 0.00000
488 -0.0740 0.00000
489 0.0171 0.00000
490 -0.0151 0.00000
491 -0.1047 0.00000
492 -0.1406 0.00000
493 -0.0425 0.00000
494 -0.0257 0.00000
495 -0.0729 0.00000
496 0.0029 0.00000
497 -0.1315 0.00000
498 -0.0286 0.00000
499 -0.0618 0.00000
500 0.0150 0.00000
501 -0.0366 0.00000
502 -0.0124 0.00000
503 0.0197 0.00000
504 -0.0409 0.00000
505 -0.0852 0.00000
506 0.0193 0.00000
507 -0.0785 0.00000
508 -0.1122 0.00000
509 -0.1132 0.00000
510 -0.2222 0.00000
511 0.0276 0.00000
512 -0.0084 0.00000
513 -0.0481 0.00000
514 -0.0287 0.00000
515 -0.0803 0.00000
516 -0.0790 0.00000
517 0.0198 0.00000
518 -0.0486 0.00000
519 -0.0438 0.00000
520 -0.0417 0.00000
521 0.0378 0.00000
522 -0.1356 0.00000
523 -0.2109 0.00000
524 0.0316 0.00000
525 0.1562 0.00000
526 0.1798 0.00000
527 -0.0177 0.00000
528 -0.0498 0.00000
529 -0.1282 0.00000
530 0.0105 0.00000
531 0.0029 0.00000
532 0.0149 0.00000
533 -0.0559 0.00000
534 -0.0418 0.00000
535 -0.0056 0.00000
536 0.0399 0.00000
537 -0.0558 0.00000
538 -0.1055 0.00000
539 0.1271 0.00000
540 0.0408 0.00000
541 0.0210 0.00000
542 -0.0063 0.00000
543 -0.0668 0.00000
544 0.0931 0.00000
545 -0.0333 0.00000
546 -0.0075 0.00000
547 0.0399 0.00000
548 -0.0208 0.00000
549 0.0067 0.00000
550 0.0040 0.00000
551 0.0276 0.00000
552 0.0740 0.00000
553 0.0116 0.00000
554 0.0767 0.00000
555 0.0024 0.00000
556 0.0772 0.00000
557 0.0656 0.00000
558 0.1648 0.00000
559 0.0441 0.00000
560 0.0076 0.00000
561 0.1833 0.00000
562 0.0257 0.00000
563 0.0304 0.00000
564 0.0840 0.00000
565 0.1026 0.00000
566 0.0630 0.00000
567 0.0754 0.00000
568 0.0237 0.00000
569 0.0299 0.00000
570 0.0415 0.00000
571 0.0219 0.00000
572 0.0370 0.00000
573 -0.0277 0.00000
574 0.0619 0.00000
575 -0.0102 0.00000
576 -0.0694 0.00000
577 0.1900 0.00000
578 0.0582 0.00000
579 0.0450 0.00000
580 0.0154 0.00000
581 0.0947 0.00000
582 -0.0172 0.00000
583 0.0791 0.00000
584 0.1364 0.00000
585 -0.0167 0.00000
586 -0.0081 0.00000
587 0.0688 0.00000
588 -0.0292 0.00000
589 0.0728 0.00000
590 -0.0287 0.00000
591 -0.0225 0.00000
592 0.0052 0.00000
593 0.0078 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0202 0.00000
597 -0.0297 0.00000
598 0.0399 0.00000
599 0.0121 0.00000
600 -0.1297 0.00000
601 -0.0122 0.00000
602 0.0384 0.00000
603 -0.0744 0.00000
604 -0.0674 0.00000
605 0.0537 0.00000
606 0.0111 0.00000
607 0.0100 0.00000
608 -0.0007 0.00000
609 -0.0152 0.00000
610 0.0579 0.00000
611 -0.0022 0.00000
612 0.0144 0.00000
613 -0.0191 0.00000
614 0.0447 0.00000
615 0.0102 0.00000
616 0.0535 0.00000
617 -0.0229 0.00000
618 0.0565 0.00000
619 0.0184 0.00000
620 0.0656 0.00000
621 0.0120 0.00000
622 0.2902 0.00000
623 0.0363 0.00000
624 0.0613 0.00000
625 0.0085 0.00000
626 -0.0318 0.00000
627 0.1613 0.00000
628 0.1291 0.00000
629 -0.0164 0.00000
630 0.0538 0.00000
631 -0.0008 0.00000
632 0.0741 0.00000
633 0.0292 0.00000
634 0.0458 0.00000
635 0.0466 0.00000
636 0.0505 0.00000
637 0.0221 0.00000
638 0.1565 0.00000
639 0.0069 0.00000
640 -0.0251 0.00000
641 -0.0047 0.00000
642 0.0054 0.00000
643 -0.0078 0.00000
644 0.0628 0.00000
645 0.0261 0.00000
646 0.0457 0.00000
647 -0.0205 0.00000
648 -0.0074 0.00000
649 -0.0215 0.00000
650 0.0307 0.00000
651 0.0753 0.00000
652 -0.0065 0.00000
653 0.0741 0.00000
654 0.0578 0.00000
655 0.1028 0.00000
656 0.0039 0.00000
657 0.1430 0.00000
658 0.2023 0.00000
659 0.0124 0.00000
660 0.0111 0.00000
661 0.1537 0.00000
662 0.0381 0.00000
663 0.0011 0.00000
664 0.0260 0.00000
665 0.0284 0.00000
666 -0.0407 0.00000
667 -0.0061 0.00000
668 -0.0324 0.00000
669 -0.0006 0.00000
670 -0.0206 0.00000
671 -0.0044 0.00000
672 0.0265 0.00000
673 0.0419 0.00000
674 0.0734 0.00000
675 0.0324 0.00000
676 0.0790 0.00000
677 0.0536 0.00000
678 -0.0151 0.00000
679 0.0687 0.00000
680 0.0772 0.00000
681 0.0051 0.00000
682 -0.0439 0.00000
683 0.0359 0.00000
684 -0.0198 0.00000
685 0.0533 0.00000
686 0.0391 0.00000
687 0.0041 0.00000
688 0.0348 0.00000
689 0.0021 0.00000
690 0.0955 0.00000
691 0.0533 0.00000
692 -0.0123 0.00000
693 0.0015 0.00000
694 -0.0103 0.00000
695 -0.0179 0.00000
696 -0.0374 0.00000
697 0.1321 0.00000
698 -0.0053 0.00000
699 0.0141 0.00000
700 -0.0183 0.00000
701 -0.0027 0.00000
702 0.0267 0.00000
703 0.0122 0.00000
704 0.0059 0.00000
705 -0.0173 0.00000
706 0.0271 0.00000
707 0.0302 0.00000
708 -0.0185 0.00000
709 -0.0239 0.00000
710 -0.0342 0.00000
711 0.0074 0.00000
712 0.0133 0.00000
713 0.0202 0.00000
714 0.0071 0.00000
715 -0.0112 0.00000
716 0.0046 0.00000
717 -0.0115 0.00000
718 0.0098 0.00000
719 -0.0041 0.00000
720 0.0514 0.00000
721 -0.0021 0.00000
722 0.0046 0.00000
723 -0.0075 0.00000
724 0.0237 0.00000
725 -0.0315 0.00000
726 -0.0558 0.00000
727 -0.0026 0.00000
728 -0.0177 0.00000
729 0.0219 0.00000
730 0.0137 0.00000
731 0.0091 0.00000
732 -0.0209 0.00000
733 0.0397 0.00000
734 -0.0240 0.00000
735 0.0050 0.00000
736 0.0198 0.00000
737 0.0459 0.00000
738 0.0274 0.00000
739 0.0134 0.00000
740 0.0350 0.00000
741 0.0096 0.00000
742 -0.0136 0.00000
743 -0.0230 0.00000
744 -0.0275 0.00000
745 0.0264 0.00000
746 0.0220 0.00000
747 -0.0850 0.00000
748 -0.0010 0.00000
749 -0.0175 0.00000
750 -0.0002 0.00000
751 0.0202 0.00000
752 -0.0191 0.00000
753 -0.0064 0.00000
754 0.0277 0.00000
755 0.0157 0.00000
756 0.0133 0.00000
757 0.0456 0.00000
758 -0.0018 0.00000
759 0.0196 0.00000
760 0.0204 0.00000
761 -0.0568 0.00000
762 -0.0073 0.00000
763 0.0370 0.00000
764 -0.0019 0.00000
765 -0.0042 0.00000
766 -0.0046 0.00000
767 0.0343 0.00000
768 0.0461 0.00000
769 0.0172 0.00000
770 -0.0107 0.00000
771 0.0368 0.00000
772 -0.0277 0.00000
773 0.0426 0.00000
774 0.0254 0.00000
775 -0.0365 0.00000
776 -0.0101 0.00000
777 -0.0085 0.00000
778 -0.0326 0.00000
779 -0.0123 0.00000
780 0.0064 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0244 0.00000
4 -0.0057 0.00000
5 -0.5108 0.00000
6 -0.3751 0.00000
7 0.0162 0.00000
8 -0.0361 0.00000
9 -1.2653 0.00000
10 -0.6632 0.00000
11 -0.0666 0.00000
12 -0.0465 0.00000
13 0.0148 0.00000
14 0.0690 0.00000
15 0.0289 0.00000
16 -0.1509 0.00000
17 -0.2550 0.00000
18 0.0008 0.00000
19 -0.0054 0.00000
20 0.0028 0.00000
21 0.0382 0.00000
22 -0.3346 0.00000
23 0.0219 0.00000
24 -0.1352 0.00000
25 -0.4908 0.00000
26 0.1363 0.00000
27 0.1242 0.00000
28 0.1103 0.00000
29 -0.0558 0.00000
30 0.0440 0.00000
31 -0.1124 0.00000
32 0.1758 0.00000
33 0.0857 0.00000
34 0.1241 0.00000
35 0.0379 0.00000
36 -0.3351 0.00000
37 0.0731 0.00000
38 -0.0544 0.00000
39 -0.3780 0.00000
40 0.0539 0.00000
41 -0.1470 0.00000
42 -0.0637 0.00000
43 0.2467 0.00000
44 0.0510 0.00000
45 -0.6349 0.00000
46 -0.0063 0.00000
47 -0.1176 0.00000
48 -0.1879 0.00000
49 -0.0578 0.00000
50 -0.6501 0.00000
51 -0.1015 0.00000
52 0.0567 0.00000
53 0.0005 0.00000
54 0.0329 0.00000
55 0.0991 0.00000
56 -0.8238 0.00000
57 0.0829 0.00000
58 -0.1359 0.00000
59 -0.2227 0.00000
60 -0.1967 0.00000
61 -0.0556 0.00000
62 -0.0866 0.00000
63 -0.5921 0.00000
64 -0.3431 0.00000
65 0.0348 0.00000
66 -0.0106 0.00000
67 -0.2668 0.00000
68 -0.3396 0.00000
69 0.0044 0.00000
70 -0.0091 0.00000
71 0.2361 0.00000
72 0.0533 0.00000
73 -0.0634 0.00000
74 0.0010 0.00000
75 -0.0084 0.00000
76 -0.0007 0.00000
77 -0.0129 0.00000
78 -0.0190 0.00000
79 0.0378 0.00000
80 -0.0324 0.00000
81 0.0638 0.00000
82 0.1216 0.00000
83 0.0294 0.00000
84 -0.0233 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0231 0.00000
90 0.0868 0.00000
91 0.0064 0.00000
92 0.0135 0.00000
93 0.0291 0.00000
94 -0.0551 0.00000
95 -0.0936 0.00000
96 -0.0731 0.00000
97 0.0631 0.00000
98 0.0934 0.00000
99 -0.0217 0.00000
100 0.2176 0.00000
101 0.0271 0.00000
102 0.4066 0.00000
103 0.0252 0.00000
104 0.1417 0.00000
105 0.1259 0.00000
106 -0.0028 0.00000
107 -0.0672 0.00000
108 0.0663 0.00000
109 0.1077 0.00000
110 -0.0068 0.00000
111 0.1177 0.00000
112 -0.0655 0.00000
113 0.0061 0.00000
114 0.0372 0.00000
115 0.1405 0.00000
116 -0.0372 0.00000
117 0.0917 0.00000
118 -0.0462 0.00000
119 0.0647 0.00000
120 -0.0235 0.00000
121 0.3507 0.00000
122 0.1103 0.00000
123 0.0400 0.00000
124 0.1545 0.00000
125 -0.0167 0.00000
126 0.1885 0.00000
127 -0.0018 0.00000
128 -0.0245 0.00000
129 -0.0466 0.00000
130 0.1149 0.00000
131 -0.0219 0.00000
132 -0.0269 0.00000
133 0.0073 0.00000
134 0.1070 0.00000
135 -0.0451 0.00000
136 0.1302 0.00000
137 -0.1787 0.00000
138 0.2616 0.00000
139 0.1048 0.00000
140 0.0029 0.00000
141 0.0781 0.00000
142 -0.0186 0.00000
143 0.0283 0.00000
144 -0.0211 0.00000
145 -0.0456 0.00000
146 -0.0167 0.00000
147 0.0216 0.00000
148 -0.1278 0.00000
149 -0.5517 0.00000
150 0.0578 0.00000
151 -0.6531 0.00000
152 0.0127 0.00000
153 -0.0661 0.00000
154 -0.4012 0.00000
155 -0.0205 0.00000
156 -0.0381 0.00000
157 -0.0001 0.00000
158 0.0011 0.00000
159 -0.0529 0.00000
160 -0.0848 0.00000
161 -0.1803 0.00000
162 -0.1160 0.00000
163 0.0760 0.00000
164 -0.0072 0.00000
165 0.1432 0.00000
166 0.0563 0.00000
167 0.0234 0.00000
168 -0.1497 0.00000
169 0.0340 0.00000
170 -0.0412 0.00000
171 -0.0191 0.00000
172 0.0050 0.00000
173 -0.0112 0.00000
174 -0.0995 0.00000
175 -0.0838 0.00000
176 0.0611 0.00000
177 -0.0001 0.00000
178 0.0182 0.00000
179 -0.0141 0.00000
180 0.0399 0.00000
181 -0.0666 0.00000
182 -0.0752 0.00000
183 -0.0167 0.00000
184 -0.0699 0.00000
185 0.0639 0.00000
186 -0.0213 0.00000
187 -0.0069 0.00000
188 0.0042 0.00000
189 -0.0158 0.00000
190 -0.3780 0.00000
191 0.0080 0.00000
192 -0.0434 0.00000
193 -0.0238 0.00000
194 -0.1010 0.00000
195 -0.0743 0.00000
196 0.0824 0.00000
197 -0.0316 0.00000
198 -0.0259 0.00000
199 0.0082 0.00000
200 -0.1227 0.00000
201 -0.4331 0.00000
202 -0.0114 0.00000
203 -0.1836 0.00000
204 -0.2243 0.00000
205 -0.2143 0.00000
206 -0.1419 0.00000
207 -0.0521 0.00000
208 -0.0203 0.00000
209 -0.4286 0.00000
210 -0.0772 0.00000
211 -0.0308 0.00000
212 -0.1279 0.00000
213 -0.1811 0.00000
214 -0.2230 0.00000
215 -0.0878 0.00000
216 0.0920 0.00000
217 0.0426 0.00000
218 -0.0140 0.00000
219 -0.5203 0.00000
220 -0.2292 0.00000
221 -0.5641 0.00000
222 -0.0535 0.00000
223 -0.1445 0.00000
224 -0.2402 0.00000
225 -0.0655 0.00000
226 -0.0316 0.00000
227 0.0088 0.00000
228 -0.0314 0.00000
229 0.0630 0.00000
230 0.0547 0.00000
231 -0.0222 0.00000
232 0.0003 0.00000
233 0.0225 0.00000
234 0.0795 0.00000
235 -0.0551 0.00000
236 0.0127 0.00000
237 0.0413 0.00000
238 -0.0554 0.00000
239 -0.0042 0.00000
240 0.0282 0.00000
241 0.0287 0.00000
242 0.1368 0.00000
243 0.0315 0.00000
244 0.0420 0.00000
245 0.1169 0.00000
246 0.2053 0.00000
247 -0.0149 0.00000
248 0.3785 0.00000
249 0.1942 0.00000
250 0.1595 0.00000
251 0.0004 0.00000
252 -0.0435 0.00000
253 -0.0347 0.00000
254 0.0054 0.00000
255 -0.0407 0.00000
256 0.0265 0.00000
257 0.0601 0.00000
258 -0.0036 0.00000
259 0.0438 0.00000
260 0.0281 0.00000
261 -0.0385 0.00000
262 -0.0293 0.00000
263 0.0283 0.00000
264 0.0576 0.00000
265 0.0623 0.00000
266 0.0016 0.00000
267 -0.0292 0.00000
268 0.0508 0.00000
269 0.0089 0.00000
270 0.0504 0.00000
271 0.0152 0.00000
272 0.1443 0.00000
273 0.0448 0.00000
274 0.1176 0.00000
275 0.0398 0.00000
276 0.0749 0.00000
277 0.0578 0.00000
278 -0.0102 0.00000
279 0.0454 0.00000
280 0.0825 0.00000
281 -0.0342 0.00000
282 0.0744 0.00000
283 0.0224 0.00000
284 0.0525 0.00000
285 0.0545 0.00000
286 -0.0170 0.00000
287 -0.0293 0.00000
288 0.0008 0.00000
289 0.0838 0.00000
290 0.0110 0.00000
291 0.0374 0.00000
292 0.0771 0.00000
293 0.0228 0.00000
294 0.0700 0.00000
295 -0.0444 0.00000
296 0.0668 0.00000
297 -0.0309 0.00000
298 0.0680 0.00000
299 -0.0894 0.00000
300 0.0432 0.00000
301 0.0611 0.00000
302 0.0564 0.00000
303 0.0268 0.00000
304 0.0636 0.00000
305 0.0113 0.00000
306 0.0537 0.00000
307 -0.0082 0.00000
308 0.0422 0.00000
309 0.0448 0.00000
310 0.0652 0.00000
311 0.0680 0.00000
312 -0.0212 0.00000
313 -0.0363 0.00000
314 0.0293 0.00000
315 -0.0041 0.00000
316 0.0738 0.00000
317 0.0221 0.00000
318 0.0488 0.00000
319 0.0066 0.00000
320 0.0167 0.00000
321 -0.0578 0.00000
322 0.0295 0.00000
323 -0.0226 0.00000
324 -0.0759 0.00000
325 -0.0349 0.00000
326 0.0141 0.00000
327 -0.0268 0.00000
328 0.0167 0.00000
329 -0.0684 0.00000
330 -0.0621 0.00000
331 0.0379 0.00000
332 -0.0260 0.00000
333 -0.0190 0.00000
334 0.0243 0.00000
335 -0.0108 0.00000
336 -0.0234 0.00000
337 -0.0110 0.00000
338 0.0827 0.00000
339 0.0794 0.00000
340 -0.0453 0.00000
341 -0.0566 0.00000
342 -0.0407 0.00000
343 -0.0930 0.00000
344 -0.0114 0.00000
345 -0.0763 0.00000
346 -0.0636 0.00000
347 -0.0007 0.00000
348 -0.0243 0.00000
349 -0.0897 0.00000
350 -0.0623 0.00000
351 -0.1302 0.00000
352 -0.0380 0.00000
353 -0.0432 0.00000
354 0.0060 0.00000
355 -0.0091 0.00000
356 0.0294 0.00000
357 -0.0082 0.00000
358 0.0008 0.00000
359 -0.0762 0.00000
360 -0.0622 0.00000
361 0.0125 0.00000
362 -0.2038 0.00000
363 -0.1367 0.00000
364 -0.0264 0.00000
365 -0.0697 0.00000
366 -0.0435 0.00000
367 0.0523 0.00000
368 0.0039 0.00000
369 -0.0466 0.00000
370 -0.0212 0.00000
371 -0.0298 0.00000
372 0.0735 0.00000
373 0.0358 0.00000
374 -0.0270 0.00000
375 -0.1104 0.00000
376 -0.0885 0.00000
377 0.0322 0.00000
378 -0.0621 0.00000
379 -0.0230 0.00000
380 -0.0074 0.00000
381 0.0012 0.00000
382 -0.0563 0.00000
383 -0.0061 0.00000
384 0.0137 0.00000
385 0.0321 0.00000
386 0.0411 0.00000
387 -0.0696 0.00000
388 -0.1360 0.00000
389 0.0380 0.00000
390 -0.0754 0.00000
391 0.0530 0.00000
392 0.0346 0.00000
393 -0.1626 0.00000
394 -0.1944 0.00000
395 -0.1449 0.00000
396 -0.0204 0.00000
397 -0.0460 0.00000
398 -0.0114 0.00000
399 -0.0549 0.00000
400 0.0042 0.00000
401 0.0443 0.00000
402 -0.3651 0.00000
403 -0.0331 0.00000
404 -0.0488 0.00000
405 0.0184 0.00000
406 -0.2242 0.00000
407 -0.0792 0.00000
408 -0.0936 0.00000
409 -0.1130 0.00000
410 -0.0358 0.00000
411 -0.0852 0.00000
412 -0.0445 0.00000
413 -0.1139 0.00000
414 -0.0172 0.00000
415 -0.2618 0.00000
416 0.0231 0.00000
417 -0.0304 0.00000
418 -0.1467 0.00000
419 -0.0540 0.00000
420 -0.0418 0.00000
421 -0.0323 0.00000
422 0.0272 0.00000
423 -0.0757 0.00000
424 -0.0807 0.00000
425 -0.2334 0.00000
426 0.0000 0.00000
427 -0.0293 0.00000
428 -0.0320 0.00000
429 -0.0679 0.00000
430 -0.0645 0.00000
431 -0.0054 0.00000
432 0.0184 0.00000
433 -0.0008 0.00000
434 0.0467 0.00000
435 -0.0411 0.00000
436 0.0078 0.00000
437 -0.0326 0.00000
438 0.0149 0.00000
439 -0.0183 0.00000
440 -0.0532 0.00000
441 -0.0657 0.00000
442 0.0140 0.00000
443 -0.0735 0.00000
444 -0.0350 0.00000
445 -0.0329 0.00000
446 -0.0484 0.00000
447 -0.0816 0.00000
448 0.0074 0.00000
449 0.0046 0.00000
450 -0.0728 0.00000
451 -0.0382 0.00000
452 -0.0879 0.00000
453 0.0393 0.00000
454 0.0013 0.00000
455 0.0248 0.00000
456 0.0122 0.00000
457 0.0031 0.00000
458 -0.0346 0.00000
459 0.0820 0.00000
460 -0.0407 0.00000
461 0.0221 0.00000
462 0.0793 0.00000
463 -0.0085 0.00000
464 -0.1358 0.00000
465 -0.0321 0.00000
466 -0.0115 0.00000
467 -0.0848 0.00000
468 0.0051 0.00000
469 -0.0176 0.00000
470 -0.0032 0.00000
471 -0.0259 0.00000
472 -0.0087 0.00000
473 -0.0126 0.00000
474 -0.0224 0.00000
475 -0.0670 0.00000
476 -0.0298 0.00000
477 -0.1317 0.00000
478 0.1109 0.00000
479 0.0211 0.00000
480 -0.0879 0.00000
481 0.0057 0.00000
482 -0.0092 0.00000
483 0.0093 0.00000
484 -0.1525 0.00000
485 0.0244 0.00000
486 0.0300 0.00000
487 0.0281 0.00000
488 0.0702 0.00000
489 -0.0053 0.00000
490 0.0056 0.00000
491 0.0172 0.00000
492 -0.2256 0.00000
493 -0.0605 0.00000
494 -0.0270 0.00000
495 -0.0819 0.00000
496 -0.0515 0.00000
497 -0.0157 0.00000
498 -0.0579 0.00000
499 -0.0387 0.00000
500 -0.0818 0.00000
501 -0.0428 0.00000
502 -0.0343 0.00000
503 -0.0569 0.00000
504 -0.0161 0.00000
505 -0.0824 0.00000
506 -0.0534 0.00000
507 -0.1545 0.00000
508 0.0321 0.00000
509 -0.1491 0.00000
510 -0.0340 0.00000
511 -0.0101 0.00000
512 -0.0300 0.00000
513 -0.2647 0.00000
514 -0.0011 0.00000
515 -0.0290 0.00000
516 -0.0308 0.00000
517 -0.0213 0.00000
518 -0.2242 0.00000
519 -0.0146 0.00000
520 -0.0647 0.00000
521 -0.0276 0.00000
522 0.1152 0.00000
523 -0.0260 0.00000
524 -0.0202 0.00000
525 -0.0360 0.00000
526 0.0207 0.00000
527 0.0245 0.00000
528 -0.0363 0.00000
529 0.0266 0.00000
530 -0.0434 0.00000
531 0.1199 0.00000
532 0.0826 0.00000
533 0.0954 0.00000
534 0.0509 0.00000
535 -0.0253 0.00000
536 -0.0842 0.00000
537 -0.0774 0.00000
538 -0.1252 0.00000
539 -0.0134 0.00000
540 -0.0868 0.00000
541 -0.0170 0.00000
542 0.0202 0.00000
543 -0.0543 0.00000
544 0.0825 0.00000
545 -0.0392 0.00000
546 0.0759 0.00000
547 0.0101 0.00000
548 0.0211 0.00000
549 0.0199 0.00000
550 0.0071 0.00000
551 0.1370 0.00000
552 -0.0070 0.00000
553 0.0175 0.00000
554 0.0522 0.00000
555 0.0062 0.00000
556 0.1469 0.00000
557 0.0406 0.00000
558 0.0691 0.00000
559 0.0381 0.00000
560 0.2101 0.00000
561 0.1370 0.00000
562 0.0276 0.00000
563 0.0098 0.00000
564 0.0830 0.00000
565 0.0987 0.00000
566 0.0939 0.00000
567 0.0601 0.00000
568 0.0297 0.00000
569 -0.0153 0.00000
570 -0.0052 0.00000
571 -0.0220 0.00000
572 0.0552 0.00000
573 0.0364 0.00000
574 0.0584 0.00000
575 0.0086 0.00000
576 -0.0151 0.00000
577 0.0530 0.00000
578 0.0533 0.00000
579 0.0841 0.00000
580 0.0381 0.00000
581 -0.0369 0.00000
582 0.1975 0.00000
583 -0.0409 0.00000
584 0.1939 0.00000
585 -0.0302 0.00000
586 -0.0208 0.00000
587 0.0599 0.00000
588 -0.0253 0.00000
589 0.0721 0.00000
590 -0.0265 0.00000
591 -0.0254 0.00000
592 0.0051 0.00000
593 0.0077 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0203 0.00000
597 -0.0298 0.00000
598 0.0430 0.00000
599 -0.0264 0.00000
600 -0.1067 0.00000
601 0.0082 0.00000
602 -0.0303 0.00000
603 -0.0362 0.00000
604 -0.0600 0.00000
605 0.0653 0.00000
606 0.0522 0.00000
607 -0.0554 0.00000
608 0.0350 0.00000
609 0.0591 0.00000
610 0.0612 0.00000
611 -0.1268 0.00000
612 0.0585 0.00000
613 -0.0174 0.00000
614 0.0500 0.00000
615 0.0996 0.00000
616 0.0451 0.00000
617 -0.0024 0.00000
618 0.1152 0.00000
619 0.0358 0.00000
620 -0.0149 0.00000
621 -0.0159 0.00000
622 0.0765 0.00000
623 0.0066 0.00000
624 0.0081 0.00000
625 0.0441 0.00000
626 0.2143 0.00000
627 0.0090 0.00000
628 0.0606 0.00000
629 0.0471 0.00000
630 0.0274 0.00000
631 0.1009 0.00000
632 -0.0118 0.00000
633 0.0798 0.00000
634 0.1033 0.00000
635 0.0207 0.00000
636 0.0046 0.00000
637 -0.0080 0.00000
638 0.1509 0.00000
639 0.1475 0.00000
640 0.0108 0.00000
641 0.0528 0.00000
642 0.0683 0.00000
643 0.0207 0.00000
644 -0.0104 0.00000
645 0.0024 0.00000
646 0.0249 0.00000
647 0.0130 0.00000
648 0.0450 0.00000
649 0.0423 0.00000
650 -0.0149 0.00000
651 0.0291 0.00000
652 0.1121 0.00000
653 0.0431 0.00000
654 0.0641 0.00000
655 0.0312 0.00000
656 0.0131 0.00000
657 0.0977 0.00000
658 0.0014 0.00000
659 0.0079 0.00000
660 0.0830 0.00000
661 0.0672 0.00000
662 -0.0072 0.00000
663 -0.0224 0.00000
664 0.0190 0.00000
665 0.0379 0.00000
666 0.0130 0.00000
667 0.1035 0.00000
668 0.0187 0.00000
669 -0.0366 0.00000
670 0.0130 0.00000
671 0.0522 0.00000
672 0.0101 0.00000
673 0.0164 0.00000
674 0.0559 0.00000
675 -0.0282 0.00000
676 -0.0207 0.00000
677 0.0186 0.00000
678 0.0790 0.00000
679 -0.0201 0.00000
680 -0.0108 0.00000
681 0.0246 0.00000
682 0.0940 0.00000
683 0.0275 0.00000
684 0.0076 0.00000
685 -0.0046 0.00000
686 0.1199 0.00000
687 -0.0006 0.00000
688 -0.0132 0.00000
689 -0.0126 0.00000
690 0.0287 0.00000
691 -0.0075 0.00000
692 0.0375 0.00000
693 -0.0140 0.00000
694 -0.0232 0.00000
695 0.0285 0.00000
696 0.0967 0.00000
697 -0.0086 0.00000
698 0.0036 0.00000
699 0.0362 0.00000
700 0.0046 0.00000
701 0.0371 0.00000
702 0.0552 0.00000
703 -0.0101 0.00000
704 0.0045 0.00000
705 0.0323 0.00000
706 0.0413 0.00000
707 0.0298 0.00000
708 -0.0027 0.00000
709 -0.0166 0.00000
710 -0.0192 0.00000
711 -0.0118 0.00000
712 -0.0474 0.00000
713 -0.0024 0.00000
714 -0.0107 0.00000
715 0.0277 0.00000
716 -0.0202 0.00000
717 -0.0164 0.00000
718 -0.0007 0.00000
719 0.0248 0.00000
720 -0.0087 0.00000
721 -0.0060 0.00000
722 0.0178 0.00000
723 -0.0140 0.00000
724 0.0064 0.00000
725 0.0062 0.00000
726 -0.0013 0.00000
727 -0.0332 0.00000
728 -0.0219 0.00000
729 0.0029 0.00000
730 -0.0106 0.00000
731 0.1002 0.00000
732 0.0029 0.00000
733 -0.0238 0.00000
734 0.0109 0.00000
735 0.0068 0.00000
736 0.0245 0.00000
737 -0.0135 0.00000
738 0.0049 0.00000
739 0.0044 0.00000
740 0.0172 0.00000
741 0.0200 0.00000
742 -0.0082 0.00000
743 -0.0099 0.00000
744 -0.0203 0.00000
745 0.0412 0.00000
746 -0.0021 0.00000
747 -0.0022 0.00000
748 -0.0308 0.00000
749 0.0703 0.00000
750 -0.0177 0.00000
751 0.0144 0.00000
752 0.0088 0.00000
753 0.0577 0.00000
754 0.0610 0.00000
755 0.0089 0.00000
756 -0.0012 0.00000
757 0.0195 0.00000
758 -0.0128 0.00000
759 -0.0256 0.00000
760 0.0059 0.00000
761 -0.0204 0.00000
762 -0.0067 0.00000
763 0.0084 0.00000
764 -0.0130 0.00000
765 -0.0083 0.00000
766 -0.0489 0.00000
767 0.0730 0.00000
768 0.0041 0.00000
769 0.0216 0.00000
770 0.0305 0.00000
771 0.0040 0.00000
772 -0.0249 0.00000
773 0.0254 0.00000
774 0.0269 0.00000
775 0.0273 0.00000
776 0.0254 0.00000
777 0.0074 0.00000
778 0.0184 0.00000
779 -0.0038 0.00000
780 -0.0041 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0243 0.00000
4 -0.0037 0.00000
5 -0.5119 0.00000
6 -0.3841 0.00000
7 0.0272 0.00000
8 -0.0364 0.00000
9 -1.2808 0.00000
10 -0.6493 0.00000
11 -0.0593 0.00000
12 -0.0546 0.00000
13 0.0150 0.00000
14 0.0695 0.00000
15 0.0288 0.00000
16 -0.1480 0.00000
17 -0.0901 0.00000
18 -0.1863 0.00000
19 0.0180 0.00000
20 0.0007 0.00000
21 0.0377 0.00000
22 -0.3504 0.00000
23 0.0008 0.00000
24 -0.1444 0.00000
25 -0.4228 0.00000
26 0.1417 0.00000
27 0.1841 0.00000
28 0.0408 0.00000
29 -0.1149 0.00000
30 0.0026 0.00000
31 -0.0010 0.00000
32 0.1800 0.00000
33 0.0984 0.00000
34 0.1222 0.00000
35 0.0301 0.00000
36 -0.4370 0.00000
37 0.0558 0.00000
38 -0.0653 0.00000
39 -0.2513 0.00000
40 0.0538 0.00000
41 -0.1016 0.00000
42 -0.0697 0.00000
43 0.2481 0.00000
44 -0.4453 0.00000
45 -0.0244 0.00000
46 -0.1157 0.00000
47 -0.0702 0.00000
48 -0.4740 0.00000
49 -0.4155 0.00000
50 -0.0566 0.00000
51 -0.0105 0.00000
52 -0.1673 0.00000
53 -0.0047 0.00000
54 0.0741 0.00000
55 -0.0330 0.00000
56 -0.6883 0.00000
57 0.0824 0.00000
58 -0.0712 0.00000
59 -0.3205 0.00000
60 -0.2720 0.00000
61 -0.0042 0.00000
62 -0.3669 0.00000
63 -0.0282 0.00000
64 -0.2474 0.00000
65 0.0321 0.00000
66 -0.0804 0.00000
67 -0.5045 0.00000
68 -0.3416 0.00000
69 -0.0024 0.00000
70 -0.0052 0.00000
71 0.2334 0.00000
72 0.0536 0.00000
73 -0.0381 0.00000
74 -0.0145 0.00000
75 -0.0103 0.00000
76 0.0018 0.00000
77 -0.0137 0.00000
78 0.0444 0.00000
79 -0.0226 0.00000
80 -0.0316 0.00000
81 0.0634 0.00000
82 0.1214 0.00000
83 0.0294 0.00000
84 -0.0232 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0222 0.00000
90 0.0823 0.00000
91 0.0086 0.00000
92 0.0112 0.00000
93 0.0133 0.00000
94 -0.0522 0.00000
95 -0.0864 0.00000
96 -0.0548 0.00000
97 0.0584 0.00000
98 0.1788 0.00000
99 0.0819 0.00000
100 -0.1239 0.00000
101 0.1634 0.00000
102 0.4274 0.00000
103 0.1019 0.00000
104 0.0507 0.00000
105 0.1159 0.00000
106 0.0297 0.00000
107 -0.1088 0.00000
108 0.1202 0.00000
109 0.1137 0.00000
110 -0.0923 0.00000
111 0.1564 0.00000
112 -0.0822 0.00000
113 0.0368 0.00000
114 0.1125 0.00000
115 0.0483 0.00000
116 -0.0351 0.00000
117 0.0944 0.00000
118 -0.0382 0.00000
119 0.0776 0.00000
120 -0.0172 0.00000
121 0.2454 0.00000
122 0.1789 0.00000
123 0.1533 0.00000
124 0.0629 0.00000
125 -0.0248 0.00000
126 0.1645 0.00000
127 -0.0100 0.00000
128 0.0256 0.00000
129 -0.0444 0.00000
130 0.0757 0.00000
131 0.0127 0.00000
132 -0.0381 0.00000
133 0.0078 0.00000
134 0.1083 0.00000
135 -0.0469 0.00000
136 0.0978 0.00000
137 -0.1142 0.00000
138 0.2344 0.00000
139 0.1070 0.00000
140 0.0061 0.00000
141 0.0778 0.00000
142 -0.0216 0.00000
143 0.0251 0.00000
144 -0.0241 0.00000
145 -0.0425 0.00000
146 -0.0202 0.00000
147 0.0229 0.00000
148 -0.0361 0.00000
149 -0.6497 0.00000
150 -0.0391 0.00000
151 -0.4056 0.00000
152 -0.0360 0.00000
153 -0.3874 0.00000
154 -0.1905 0.00000
155 0.0062 0.00000
156 -0.0394 0.00000
157 0.0140 0.00000
158 -0.0682 0.00000
159 -0.0637 0.00000
160 -0.0377 0.00000
161 -0.1025 0.00000
162 -0.0353 0.00000
163 -0.2800 0.00000
164 0.1301 0.00000
165 0.1145 0.00000
166 -0.0124 0.00000
167 -0.0251 0.00000
168 0.0491 0.00000
169 0.0470 0.00000
170 -0.0481 0.00000
171 -0.0140 0.00000
172 0.0380 0.00000
173 0.0551 0.00000
174 -0.0218 0.00000
175 -0.0210 0.00000
176 -0.0717 0.00000
177 -0.0331 0.00000
178 -0.1288 0.00000
179 0.0191 0.00000
180 -0.0153 0.00000
181 -0.1130 0.00000
182 0.0803 0.00000
183 0.0358 0.00000
184 -0.0567 0.00000
185 0.0470 0.00000
186 -0.0347 0.00000
187 -0.2000 0.00000
188 -0.2208 0.00000
189 -0.0093 0.00000
190 0.0406 0.00000
191 0.0224 0.00000
192 -0.0975 0.00000
193 -0.0415 0.00000
194 -0.0120 0.00000
195 -0.1070 0.00000
196 0.0400 0.00000
197 -0.1363 0.00000
198 -0.0559 0.00000
199 -0.0186 0.00000
200 -0.0417 0.00000
201 -0.1693 0.00000
202 -0.2416 0.00000
203 -0.0911 0.00000
204 -0.2986 0.00000
205 -0.1040 0.00000
206 -0.0549 0.00000
207 -0.2680 0.00000
208 -0.1684 0.00000
209 -0.0249 0.00000
210 -0.3267 0.00000
211 -0.1750 0.00000
212 -0.1350 0.00000
213 0.0194 0.00000
214 -0.1375 0.00000
215 -0.1156 0.00000
216 -0.0773 0.00000
217 -0.0706 0.00000
218 0.0380 0.00000
219 -0.3579 0.00000
220 0.0039 0.00000
221 -0.8178 0.00000
222 -0.0161 0.00000
223 -0.2428 0.00000
224 -0.1384 0.00000
225 -0.1323 0.00000
226 0.0194 0.00000
227 0.0168 0.00000
228 -0.0338 0.00000
229 0.0639 0.00000
230 0.0424 0.00000
231 -0.0238 0.00000
232 -0.0002 0.00000
233 0.0239 0.00000
234 0.0723 0.00000
235 -0.0262 0.00000
236 -0.0096 0.00000
237 0.0404 0.00000
238 -0.0327 0.00000
239 0.0126 0.00000
240 -0.0070 0.00000
241 -0.0011 0.00000
242 0.1227 0.00000
243 -0.0234 0.00000
244 0.0486 0.00000
245 0.2485 0.00000
246 0.0274 0.00000
247 0.1668 0.00000
248 0.6523 0.00000
249 0.0576 0.00000
250 -0.0837 0.00000
251 0.0479 0.00000
252 -0.1462 0.00000
253 0.0596 0.00000
254 -0.0064 0.00000
255 0.0197 0.00000
256 0.0871 0.00000
257 -0.0268 0.00000
258 -0.0013 0.00000
259 -0.0007 0.00000
260 0.0027 0.00000
261 0.0687 0.00000
262 -0.0206 0.00000
263 -0.0070 0.00000
264 0.0304 0.00000
265 0.0488 0.00000
266 0.0073 0.00000
267 -0.0161 0.00000
268 -0.0040 0.00000
269 0.0057 0.00000
270 0.0191 0.00000
271 0.0153 0.00000
272 0.0586 0.00000
273 -0.0035 0.00000
274 0.1454 0.00000
275 0.1532 0.00000
276 0.1680 0.00000
277 0.0194 0.00000
278 0.0563 0.00000
279 0.1692 0.00000
280 0.0454 0.00000
281 -0.1268 0.00000
282 0.1033 0.00000
283 0.0434 0.00000
284 -0.0263 0.00000
285 0.0077 0.00000
286 0.0952 0.00000
287 0.0527 0.00000
288 0.0110 0.00000
289 -0.0142 0.00000
290 0.0435 0.00000
291 0.0191 0.00000
292 0.0634 0.00000
293 0.0087 0.00000
294 -0.0276 0.00000
295 -0.0061 0.00000
296 -0.0531 0.00000
297 0.0561 0.00000
298 0.0541 0.00000
299 0.0771 0.00000
300 0.0448 0.00000
301 0.1001 0.00000
302 0.0456 0.00000
303 -0.0159 0.00000
304 -0.0278 0.00000
305 0.0795 0.00000
306 0.0411 0.00000
307 -0.0180 0.00000
308 0.0286 0.00000
309 -0.0176 0.00000
310 0.0660 0.00000
311 0.0260 0.00000
312 0.0428 0.00000
313 0.0130 0.00000
314 0.0033 0.00000
315 0.0116 0.00000
316 0.0194 0.00000
317 0.0446 0.00000
318 -0.0918 0.00000
319 -0.0184 0.00000
320 0.0313 0.00000
321 0.1355 0.00000
322 0.0004 0.00000
323 -0.0867 0.00000
324 -0.0593 0.00000
325 0.0447 0.00000
326 -0.0691 0.00000
327 -0.0038 0.00000
328 -0.0050 0.00000
329 0.0285 0.00000
330 0.0272 0.00000
331 -0.0234 0.00000
332 -0.0319 0.00000
333 -0.0156 0.00000
334 -0.0071 0.00000
335 0.0479 0.00000
336 -0.0206 0.00000
337 -0.2056 0.00000
338 -0.0260 0.00000
339 0.0328 0.00000
340 0.1315 0.00000
341 -0.0042 0.00000
342 0.0066 0.00000
343 -0.0172 0.00000
344 -0.0560 0.00000
345 -0.0716 0.00000
346 -0.0324 0.00000
347 0.0261 0.00000
348 -0.1539 0.00000
349 -0.0878 0.00000
350 0.0413 0.00000
351 -0.0824 0.00000
352 -0.1222 0.00000
353 -0.0864 0.00000
354 0.0096 0.00000
355 -0.0606 0.00000
356 -0.0726 0.00000
357 -0.0678 0.00000
358 -0.0269 0.00000
359 -0.1434 0.00000
360 -0.0522 0.00000
361 0.0267 0.00000
362 -0.0263 0.00000
363 -0.0894 0.00000
364 -0.0345 0.00000
365 -0.0096 0.00000
366 -0.0463 0.00000
367 -0.0318 0.00000
368 -0.1469 0.00000
369 0.0158 0.00000
370 -0.0256 0.00000
371 -0.0537 0.00000
372 0.2838 0.00000
373 -0.0193 0.00000
374 0.0283 0.00000
375 0.0118 0.00000
376 -0.0388 0.00000
377 0.0033 0.00000
378 -0.0560 0.00000
379 -0.0633 0.00000
380 0.0176 0.00000
381 0.0050 0.00000
382 0.0213 0.00000
383 0.0279 0.00000
384 -0.2171 0.00000
385 0.0138 0.00000
386 0.1090 0.00000
387 -0.2806 0.00000
388 -0.0336 0.00000
389 -0.0889 0.00000
390 -0.1197 0.00000
391 -0.0287 0.00000
392 0.0444 0.00000
393 -0.0358 0.00000
394 0.0463 0.00000
395 -0.1908 0.00000
396 -0.0357 0.00000
397 -0.1770 0.00000
398 0.0142 0.00000
399 -0.0001 0.00000
400 -0.0799 0.00000
401 -0.0396 0.00000
402 -0.0865 0.00000
403 -0.0643 0.00000
404 -0.0453 0.00000
405 -0.2389 0.00000
406 -0.0967 0.00000
407 -0.2898 0.00000
408 -0.0539 0.00000
409 -0.0276 0.00000
410 -0.2066 0.00000
411 -0.0472 0.00000
412 -0.0773 0.00000
413 -0.0407 0.00000
414 -0.0492 0.00000
415 -0.0072 0.00000
416 0.0135 0.00000
417 -0.0376 0.00000
418 -0.0231 0.00000
419 0.0261 0.00000
420 -0.2134 0.00000
421 -0.0110 0.00000
422 -0.0716 0.00000
423 -0.0387 0.00000
424 -0.0490 0.00000
425 0.0212 0.00000
426 -0.0188 0.00000
427 0.0013 0.00000
428 -0.0881 0.00000
429 -0.0447 0.00000
430 0.0478 0.00000
431 -0.0452 0.00000
432 -0.0347 0.00000
433 0.0087 0.00000
434 -0.0239 0.00000
435 0.0026 0.00000
436 0.0401 0.00000
437 -0.0432 0.00000
438 -0.1325 0.00000
439 -0.1861 0.00000
440 0.0127 0.00000
441 0.0030 0.00000
442 -0.0481 0.00000
443 -0.0091 0.00000
444 -0.0168 0.00000
445 0.0719 0.00000
446 0.0178 0.00000
447 -0.1540 0.00000
448 0.0150 0.00000
449 0.0161 0.00000
450 -0.0667 0.00000
451 -0.0145 0.00000
452 -0.0590 0.00000
453 -0.1896 0.00000
454 -0.0364 0.00000
455 -0.0498 0.00000
456 0.0111 0.00000
457 0.0178 0.00000
458 -0.0221 0.00000
459 -0.0715 0.00000
460 0.0370 0.00000
461 -0.0188 0.00000
462 -0.1031 0.00000
463 -0.0181 0.00000
464 0.0318 0.00000
465 -0.0188 0.00000
466 0.0267 0.00000
467 -0.0385 0.00000
468 -0.0572 0.00000
469 0.0044 0.00000
470 -0.0543 0.00000
471 -0.1214 0.00000
472 0.0095 0.00000
473 -0.0537 0.00000
474 0.0432 0.00000
475 -0.0221 0.00000
476 -0.0145 0.00000
477 -0.0339 0.00000
478 0.0195 0.00000
479 -0.0103 0.00000
480 -0.0294 0.00000
481 -0.0094 0.00000
482 0.0490 0.00000
483 -0.1051 0.00000
484 -0.0050 0.00000
485 0.0582 0.00000
486 0.0938 0.00000
487 -0.0043 0.00000
488 -0.0324 0.00000
489 0.0239 0.00000
490 0.0012 0.00000
491 -0.0621 0.00000
492 -0.0271 0.00000
493 -0.1827 0.00000
494 -0.0193 0.00000
495 -0.0716 0.00000
496 -0.0643 0.00000
497 -0.0920 0.00000
498 0.0092 0.00000
499 0.0016 0.00000
500 -0.0262 0.00000
501 -0.0401 0.00000
502 -0.0607 0.00000
503 -0.1084 0.00000
504 -0.0271 0.00000
505 0.0089 0.00000
506 -0.0619 0.00000
507 -0.0610 0.00000
508 0.0024 0.00000
509 -0.1665 0.00000
510 -0.0622 0.00000
511 -0.1647 0.00000
512 -0.0290 0.00000
513 -0.0826 0.00000
514 -0.1443 0.00000
515 -0.0036 0.00000
516 -0.0128 0.00000
517 -0.0588 0.00000
518 -0.1073 0.00000
519 0.0201 0.00000
520 0.0094 0.00000
521 0.0370 0.00000
522 0.1726 0.00000
523 -0.0624 0.00000
524 -0.0639 0.00000
525 -0.0059 0.00000
526 0.0091 0.00000
527 0.0769 0.00000
528 0.0190 0.00000
529 0.0476 0.00000
530 -0.0290 0.00000
531 -0.1059 0.00000
532 -0.0498 0.00000
533 -0.0539 0.00000
534 -0.1612 0.00000
535 0.0209 0.00000
536 -0.0066 0.00000
537 -0.0297 0.00000
538 -0.0358 0.00000
539 0.0444 0.00000
540 0.0230 0.00000
541 0.0429 0.00000
542 -0.0735 0.00000
543 -0.0118 0.00000
544 -0.0068 0.00000
545 0.0039 0.00000
546 0.0656 0.00000
547 -0.0120 0.00000
548 0.0014 0.00000
549 0.0240 0.00000
550 0.0401 0.00000
551 0.0042 0.00000
552 0.0821 0.00000
553 0.0185 0.00000
554 0.0040 0.00000
555 0.0164 0.00000
556 0.0568 0.00000
557 0.2022 0.00000
558 0.0227 0.00000
559 0.0101 0.00000
560 0.1337 0.00000
561 0.0342 0.00000
562 0.1816 0.00000
563 0.0938 0.00000
564 0.0975 0.00000
565 0.0450 0.00000
566 0.0942 0.00000
567 -0.0034 0.00000
568 0.0353 0.00000
569 0.0243 0.00000
570 0.0776 0.00000
571 0.0266 0.00000
572 0.0052 0.00000
573 0.0035 0.00000
574 0.0453 0.00000
575 0.0344 0.00000
576 0.1054 0.00000
577 0.0679 0.00000
578 -0.0622 0.00000
579 0.0634 0.00000
580 0.0913 0.00000
581 0.0486 0.00000
582 -0.0173 0.00000
583 0.0731 0.00000
584 0.1635 0.00000
585 -0.0318 0.00000
586 -0.0179 0.00000
587 0.0501 0.00000
588 -0.0302 0.00000
589 0.0726 0.00000
590 -0.0255 0.00000
591 -0.0192 0.00000
592 0.0011 0.00000
593 0.0083 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0202 0.00000
597 -0.0296 0.00000
598 0.0344 0.00000
599 0.0561 0.00000
600 -0.2223 0.00000
601 -0.0620 0.00000
602 0.0152 0.00000
603 0.0181 0.00000
604 -0.0363 0.00000
605 -0.0109 0.00000
606 0.1097 0.00000
607 0.0165 0.00000
608 0.0146 0.00000
609 0.0554 0.00000
610 0.1193 0.00000
611 -0.0002 0.00000
612 -0.0426 0.00000
613 -0.0184 0.00000
614 0.0191 0.00000
615 0.0004 0.00000
616 0.0191 0.00000
617 0.0204 0.00000
618 0.0280 0.00000
619 0.0979 0.00000
620 0.0063 0.00000
621 0.0671 0.00000
622 -0.0351 0.00000
623 0.0404 0.00000
624 0.1085 0.00000
625 0.0348 0.00000
626 -0.0250 0.00000
627 0.0757 0.00000
628 0.0092 0.00000
629 0.0879 0.00000
630 0.1570 0.00000
631 -0.0096 0.00000
632 0.0527 0.00000
633 0.2169 0.00000
634 0.0234 0.00000
635 0.0788 0.00000
636 0.0113 0.00000
637 0.0604 0.00000
638 -0.0241 0.00000
639 0.0095 0.00000
640 -0.0081 0.00000
641 0.0347 0.00000
642 0.0970 0.00000
643 0.0307 0.00000
644 0.0116 0.00000
645 0.0711 0.00000
646 0.0088 0.00000
647 0.0241 0.00000
648 0.0831 0.00000
649 0.0041 0.00000
650 0.0264 0.00000
651 0.0363 0.00000
652 0.0176 0.00000
653 0.0137 0.00000
654 0.1298 0.00000
655 0.0022 0.00000
656 0.1047 0.00000
657 -0.0149 0.00000
658 0.0195 0.00000
659 0.0155 0.00000
660 0.0051 0.00000
661 0.0137 0.00000
662 0.0077 0.00000
663 0.0541 0.00000
664 0.0235 0.00000
665 -0.0029 0.00000
666 0.0970 0.00000
667 -0.0161 0.00000
668 0.0233 0.00000
669 0.0359 0.00000
670 0.0275 0.00000
671 0.1194 0.00000
672 0.0084 0.00000
673 0.0241 0.00000
674 0.0334 0.00000
675 0.0805 0.00000
676 0.0310 0.00000
677 0.1198 0.00000
678 0.0349 0.00000
679 0.0026 0.00000
680 -0.0493 0.00000
681 0.0847 0.00000
682 0.0035 0.00000
683 -0.0375 0.00000
684 0.0311 0.00000
685 0.0850 0.00000
686 0.0428 0.00000
687 -0.0221 0.00000
688 0.0352 0.00000
689 -0.0029 0.00000
690 0.0800 0.00000
691 -0.0013 0.00000
692 0.0159 0.00000
693 0.0111 0.00000
694 0.0036 0.00000
695 -0.0309 0.00000
696 0.0174 0.00000
697 0.0671 0.00000
698 0.0352 0.00000
699 -0.0549 0.00000
700 0.0076 0.00000
701 -0.0079 0.00000
702 0.0883 0.00000
703 0.0400 0.00000
704 0.0211 0.00000
705 -0.0608 0.00000
706 -0.0409 0.00000
707 -0.0422 0.00000
708 0.0115 0.00000
709 0.0241 0.00000
710 -0.0133 0.00000
711 -0.0388 0.00000
712 0.0261 0.00000
713 0.0070 0.00000
714 -0.0192 0.00000
715 0.0143 0.00000
716 0.0006 0.00000
717 -0.0200 0.00000
718 -0.0430 0.00000
719 -0.0112 0.00000
720 0.0230 0.00000
721 0.0512 0.00000
722 -0.0422 0.00000
723 0.0149 0.00000
724 -0.0486 0.00000
725 0.0052 0.00000
726 0.0036 0.00000
727 -0.0366 0.00000
728 0.0123 0.00000
729 -0.0367 0.00000
730 0.0324 0.00000
731 -0.0321 0.00000
732 0.0792 0.00000
733 0.0196 0.00000
734 0.0154 0.00000
735 -0.0021 0.00000
736 0.0109 0.00000
737 0.0695 0.00000
738 -0.0082 0.00000
739 -0.0102 0.00000
740 0.0572 0.00000
741 -0.0118 0.00000
742 -0.0055 0.00000
743 0.0529 0.00000
744 -0.0173 0.00000
745 -0.0177 0.00000
746 -0.0129 0.00000
747 -0.0223 0.00000
748 0.0250 0.00000
749 0.0420 0.00000
750 0.0045 0.00000
751 0.0370 0.00000
752 0.0942 0.00000
753 0.0404 0.00000
754 0.0053 0.00000
755 -0.0154 0.00000
756 -0.0653 0.00000
757 -0.0166 0.00000
758 0.0421 0.00000
759 0.0009 0.00000
760 0.0038 0.00000
761 -0.0154 0.00000
762 -0.0129 0.00000
763 0.0135 0.00000
764 0.0198 0.00000
765 0.0041 0.00000
766 -0.0343 0.00000
767 -0.0110 0.00000
768 0.0342 0.00000
769 -0.0294 0.00000
770 0.0209 0.00000
771 0.0019 0.00000
772 0.0178 0.00000
773 -0.0144 0.00000
774 0.0138 0.00000
775 0.0525 0.00000
776 -0.0039 0.00000
777 -0.0051 0.00000
778 0.0181 0.00000
779 0.0105 0.00000
780 0.0161 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0244 0.00000
4 -0.0138 0.00000
5 -0.5006 0.00000
6 -0.3832 0.00000
7 0.0227 0.00000
8 -0.0354 0.00000
9 -1.2701 0.00000
10 -0.6603 0.00000
11 -0.0662 0.00000
12 -0.0453 0.00000
13 0.0144 0.00000
14 0.0694 0.00000
15 0.0289 0.00000
16 -0.1532 0.00000
17 -0.1348 0.00000
18 -0.1326 0.00000
19 0.0091 0.00000
20 0.0004 0.00000
21 0.0381 0.00000
22 -0.3256 0.00000
23 0.0167 0.00000
24 -0.1228 0.00000
25 -0.4942 0.00000
26 0.1081 0.00000
27 0.1358 0.00000
28 0.1203 0.00000
29 -0.0676 0.00000
30 0.0373 0.00000
31 -0.0665 0.00000
32 0.2005 0.00000
33 0.0865 0.00000
34 0.1278 0.00000
35 0.0295 0.00000
36 -0.4719 0.00000
37 0.0812 0.00000
38 -0.0668 0.00000
39 -0.1997 0.00000
40 0.0537 0.00000
41 -0.2012 0.00000
42 -0.1113 0.00000
43 0.2486 0.00000
44 -0.1644 0.00000
45 -0.2090 0.00000
46 -0.1158 0.00000
47 -0.0847 0.00000
48 -0.3119 0.00000
49 -0.5242 0.00000
50 -0.1422 0.00000
51 0.0745 0.00000
52 -0.2269 0.00000
53 -0.0009 0.00000
54 -0.0340 0.00000
55 0.0847 0.00000
56 -0.6018 0.00000
57 0.0814 0.00000
58 -0.1638 0.00000
59 -0.2890 0.00000
60 -0.2837 0.00000
61 -0.1575 0.00000
62 -0.0170 0.00000
63 -0.3335 0.00000
64 -0.4562 0.00000
65 0.0495 0.00000
66 -0.0186 0.00000
67 -0.3634 0.00000
68 -0.2575 0.00000
69 0.0074 0.00000
70 -0.0039 0.00000
71 0.2329 0.00000
72 0.0533 0.00000
73 -0.0621 0.00000
74 0.0009 0.00000
75 -0.0070 0.00000
76 -0.0028 0.00000
77 -0.0126 0.00000
78 -0.0190 0.00000
79 0.0382 0.00000
80 -0.0321 0.00000
81 0.0633 0.00000
82 0.1216 0.00000
83 0.0294 0.00000
84 -0.0233 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0231 0.00000
90 0.0866 0.00000
91 0.0065 0.00000
92 0.0137 0.00000
93 0.0289 0.00000
94 -0.0511 0.00000
95 -0.0947 0.00000
96 -0.0808 0.00000
97 0.0469 0.00000
98 0.1861 0.00000
99 -0.0247 0.00000
100 0.0788 0.00000
101 0.1209 0.00000
102 0.4002 0.00000
103 0.1144 0.00000
104 0.0206 0.00000
105 0.1430 0.00000
106 0.0026 0.00000
107 -0.0659 0.00000
108 0.2188 0.00000
109 -0.0591 0.00000
110 0.0039 0.00000
111 0.0737 0.00000
112 -0.0681 0.00000
113 0.0404 0.00000
114 0.0387 0.00000
115 0.1575 0.00000
116 -0.0368 0.00000
117 0.0850 0.00000
118 -0.0418 0.00000
119 -0.0131 0.00000
120 0.0341 0.00000
121 0.3314 0.00000
122 0.1186 0.00000
123 0.1876 0.00000
124 0.0199 0.00000
125 -0.0117 0.00000
126 0.1722 0.00000
127 -0.0185 0.00000
128 0.0270 0.00000
129 -0.0495 0.00000
130 0.0991 0.00000
131 -0.0173 0.00000
132 -0.0242 0.00000
133 -0.0001 0.00000
134 0.1087 0.00000
135 -0.0449 0.00000
136 0.1240 0.00000
137 -0.1785 0.00000
138 0.2626 0.00000
139 0.1130 0.00000
140 0.0096 0.00000
141 0.0779 0.00000
142 -0.0200 0.00000
143 0.0242 0.00000
144 -0.0248 0.00000
145 -0.0437 0.00000
146 -0.0169 0.00000
147 0.0216 0.00000
148 -0.0820 0.00000
149 -0.6071 0.00000
150 0.0233 0.00000
151 -0.7026 0.00000
152 0.0336 0.00000
153 -0.0468 0.00000
154 -0.2030 0.00000
155 -0.2123 0.00000
156 -0.0075 0.00000
157 -0.0296 0.00000
158 0.0481 0.00000
159 -0.0627 0.00000
160 -0.0487 0.00000
161 -0.1491 0.00000
162 -0.1401 0.00000
163 0.0351 0.00000
164 0.0866 0.00000
165 -0.1330 0.00000
166 -0.0175 0.00000
167 0.1170 0.00000
168 0.0079 0.00000
169 0.0075 0.00000
170 -0.0922 0.00000
171 0.0042 0.00000
172 0.0865 0.00000
173 -0.0494 0.00000
174 -0.0127 0.00000
175 0.0289 0.00000
176 -0.0199 0.00000
177 -0.0773 0.00000
178 -0.0528 0.00000
179 0.0656 0.00000
180 -0.0915 0.00000
181 0.0260 0.00000
182 0.0181 0.00000
183 -0.1087 0.00000
184 -0.0430 0.00000
185 0.0509 0.00000
186 -0.0362 0.00000
187 -0.0276 0.00000
188 -0.1497 0.00000
189 -0.0135 0.00000
190 -0.0773 0.00000
191 -0.0128 0.00000
192 -0.0487 0.00000
193 -0.1590 0.00000
194 -0.0539 0.00000
195 -0.0545 0.00000
196 0.1241 0.00000
197 -0.1758 0.00000
198 -0.0941 0.00000
199 0.0240 0.00000
200 -0.1606 0.00000
201 -0.0662 0.00000
202 -0.0843 0.00000
203 -0.2167 0.00000
204 -0.3474 0.00000
205 -0.0914 0.00000
206 -0.1989 0.00000
207 -0.1843 0.00000
208 -0.0707 0.00000
209 -0.0523 0.00000
210 -0.3647 0.00000
211 -0.0510 0.00000
212 -0.0674 0.00000
213 -0.0925 0.00000
214 -0.2510 0.00000
215 -0.0814 0.00000
216 -0.0165 0.00000
217 0.0403 0.00000
218 -0.1055 0.00000
219 -0.0713 0.00000
220 -0.0960 0.00000
221 -0.8854 0.00000
222 -0.2203 0.00000
223 -0.1348 0.00000
224 -0.1938 0.00000
225 -0.0586 0.00000
226 -0.0264 0.00000
227 0.0035 0.00000
228 -0.0306 0.00000
229 0.0599 0.00000
230 0.0550 0.00000
231 -0.0225 0.00000
232 -0.0052 0.00000
233 0.0268 0.00000
234 0.0800 0.00000
235 -0.0370 0.00000
236 0.0012 0.00000
237 0.0365 0.00000
238 -0.0675 0.00000
239 0.0151 0.00000
240 0.0459 0.00000
241 -0.0049 0.00000
242 0.1141 0.00000
243 0.0747 0.00000
244 0.0245 0.00000
245 0.1031 0.00000
246 0.1715 0.00000
247 0.0179 0.00000
248 0.4424 0.00000
249 0.1435 0.00000
250 0.1660 0.00000
251 -0.0149 0.00000
252 -0.0657 0.00000
253 -0.0070 0.00000
254 -0.0144 0.00000
255 0.0415 0.00000
256 0.0262 0.00000
257 0.0093 0.00000
258 0.0108 0.00000
259 0.0089 0.00000
260 0.0264 0.00000
261 -0.0032 0.00000
262 0.0316 0.00000
263 -0.0141 0.00000
264 0.0199 0.00000
265 0.0063 0.00000
266 0.0529 0.00000
267 -0.0135 0.00000
268 0.0209 0.00000
269 0.0539 0.00000
270 0.0303 0.00000
271 -0.0036 0.00000
272 0.0320 0.00000
273 0.1492 0.00000
274 0.1660 0.00000
275 0.0613 0.00000
276 0.0666 0.00000
277 0.0492 0.00000
278 0.0396 0.00000
279 -0.0095 0.00000
280 0.0245 0.00000
281 0.0736 0.00000
282 0.0045 0.00000
283 0.0343 0.00000
284 0.0393 0.00000
285 -0.0164 0.00000
286 -0.0278 0.00000
287 0.0777 0.00000
288 0.0249 0.00000
289 0.0931 0.00000
290 0.0869 0.00000
291 -0.0141 0.00000
292 -0.0401 0.00000
293 0.0877 0.00000
294 -0.0695 0.00000
295 0.0190 0.00000
296 0.0387 0.00000
297 0.0452 0.00000
298 0.0640 0.00000
299 -0.0308 0.00000
300 0.0574 0.00000
301 0.0015 0.00000
302 0.0855 0.00000
303 0.0129 0.00000
304 -0.0061 0.00000
305 -0.0274 0.00000
306 0.0482 0.00000
307 0.0687 0.00000
308 0.0398 0.00000
309 0.1216 0.00000
310 0.0174 0.00000
311 -0.0065 0.00000
312 0.0231 0.00000
313 -0.0045 0.00000
314 0.0334 0.00000
315 0.0159 0.00000
316 0.0330 0.00000
317 0.0484 0.00000
318 0.0013 0.00000
319 -0.0051 0.00000
320 0.0199 0.00000
321 -0.0211 0.00000
322 0.0318 0.00000
323 -0.0077 0.00000
324 -0.1016 0.00000
325 0.0154 0.00000
326 0.0043 0.00000
327 -0.1533 0.00000
328 -0.0545 0.00000
329 0.0274 0.00000
330 0.0000 0.00000
331 0.0150 0.00000
332 -0.0135 0.00000
333 -0.0126 0.00000
334 -0.0229 0.00000
335 -0.0129 0.00000
336 0.0852 0.00000
337 -0.0209 0.00000
338 0.0691 0.00000
339 -0.0618 0.00000
340 0.0284 0.00000
341 -0.0074 0.00000
342 -0.0133 0.00000
343 -0.0308 0.00000
344 -0.1035 0.00000
345 -0.0664 0.00000
346 -0.0524 0.00000
347 -0.0085 0.00000
348 -0.0548 0.00000
349 -0.0593 0.00000
350 -0.0169 0.00000
351 0.0089 0.00000
352 -0.1246 0.00000
353 -0.1820 0.00000
354 0.0128 0.00000
355 0.0022 0.00000
356 -0.0766 0.00000
357 0.0143 0.00000
358 0.0187 0.00000
359 -0.0091 0.00000
360 -0.0598 0.00000
361 -0.2614 0.00000
362 -0.0129 0.00000
363 -0.0426 0.00000
364 0.0135 0.00000
365 -0.1027 0.00000
366 -0.0413 0.00000
367 0.0733 0.00000
368 -0.0190 0.00000
369 -0.1078 0.00000
370 -0.0379 0.00000
371 0.0804 0.00000
372 -0.0096 0.00000
373 -0.0190 0.00000
374 -0.0809 0.00000
375 -0.0176 0.00000
376 0.0019 0.00000
377 0.0126 0.00000
378 -0.0787 0.00000
379 -0.0022 0.00000
380 -0.0558 0.00000
381 -0.0434 0.00000
382 0.0074 0.00000
383 0.0180 0.00000
384 0.0312 0.00000
385 -0.0087 0.00000
386 0.0442 0.00000
387 -0.0445 0.00000
388 -0.0115 0.00000
389 0.0212 0.00000
390 -0.2390 0.00000
391 0.0295 0.00000
392 -0.0984 0.00000
393 -0.2173 0.00000
394 -0.0270 0.00000
395 -0.0424 0.00000
396 0.0364 0.00000
397 -0.1288 0.00000
398 -0.0204 0.00000
399 -0.0298 0.00000
400 -0.0461 0.00000
401 -0.0884 0.00000
402 -0.0585 0.00000
403 -0.0220 0.00000
404 -0.0392 0.00000
405 -0.3959 0.00000
406 -0.0250 0.00000
407 -0.0063 0.00000
408 0.0648 0.00000
409 -0.1494 0.00000
410 -0.1739 0.00000
411 -0.1797 0.00000
412 -0.1134 0.00000
413 -0.1503 0.00000
414 0.0038 0.00000
415 -0.0227 0.00000
416 0.0311 0.00000
417 -0.0193 0.00000
418 -0.1652 0.00000
419 -0.0066 0.00000
420 -0.1422 0.00000
421 -0.1700 0.00000
422 0.0781 0.00000
423 -0.0391 0.00000
424 -0.0524 0.00000
425 -0.0162 0.00000
426 -0.1170 0.00000
427 -0.0228 0.00000
428 -0.1265 0.00000
429 -0.0354 0.00000
430 -0.0026 0.00000
431 -0.0786 0.00000
432 -0.0425 0.00000
433 -0.0196 0.00000
434 0.0408 0.00000
435 -0.0181 0.00000
436 -0.0668 0.00000
437 -0.0149 0.00000
438 0.0195 0.00000
439 0.0233 0.00000
440 -0.0042 0.00000
441 -0.0182 0.00000
442 -0.0528 0.00000
443 -0.0122 0.00000
444 -0.0296 0.00000
445 -0.0658 0.00000
446 0.0087 0.00000
447 -0.0462 0.00000
448 -0.0145 0.00000
449 -0.1338 0.00000
450 0.0379 0.00000
451 -0.0526 0.00000
452 -0.0191 0.00000
453 -0.0448 0.00000
454 -0.0082 0.00000
455 -0.0283 0.00000
456 0.0177 0.00000
457 -0.0872 0.00000
458 0.0594 0.00000
459 0.0560 0.00000
460 0.0247 0.00000
461 0.0839 0.00000
462 0.0098 0.00000
463 -0.0988 0.00000
464 -0.1029 0.00000
465 -0.0359 0.00000
466 -0.0021 0.00000
467 -0.0037 0.00000
468 0.0031 0.00000
469 -0.0528 0.00000
470 0.0378 0.00000
471 -0.0721 0.00000
472 -0.0681 0.00000
473 -0.0449 0.00000
474 0.0058 0.00000
475 -0.0396 0.00000
476 0.0536 0.00000
477 -0.0364 0.00000
478 -0.0569 0.00000
479 -0.0049 0.00000
480 -0.0082 0.00000
481 0.0821 0.00000
482 -0.0215 0.00000
483 -0.0273 0.00000
484 -0.0291 0.00000
485 0.0078 0.00000
486 -0.0494 0.00000
487 0.0082 0.00000
488 -0.1114 0.00000
489 -0.0255 0.00000
490 -0.1404 0.00000
491 -0.0041 0.00000
492 -0.0165 0.00000
493 0.0356 0.00000
494 -0.0841 0.00000
495 -0.2063 0.00000
496 0.1186 0.00000
497 -0.0502 0.00000
498 -0.1305 0.00000
499 -0.1584 0.00000
500 -0.1204 0.00000
501 0.0131 0.00000
502 0.0183 0.00000
503 -0.0449 0.00000
504 -0.0200 0.00000
505 -0.0388 0.00000
506 -0.0213 0.00000
507 -0.0173 0.00000
508 0.0007 0.00000
509 -0.0145 0.00000
510 -0.0778 0.00000
511 0.0233 0.00000
512 0.0137 0.00000
513 -0.0196 0.00000
514 -0.3095 0.00000
515 0.0162 0.00000
516 -0.0151 0.00000
517 -0.3282 0.00000
518 -0.0718 0.00000
519 -0.0371 0.00000
520 -0.0267 0.00000
521 -0.0283 0.00000
522 -0.0310 0.00000
523 0.0642 0.00000
524 -0.0543 0.00000
525 0.0284 0.00000
526 0.1052 0.00000
527 -0.0136 0.00000
528 -0.0154 0.00000
529 0.0048 0.00000
530 0.0491 0.00000
531 -0.0211 0.00000
532 -0.0455 0.00000
533 0.1085 0.00000
534 0.0284 0.00000
535 -0.1139 0.00000
536 -0.0190 0.00000
537 0.0148 0.00000
538 -0.0358 0.00000
539 0.0970 0.00000
540 -0.0571 0.00000
541 -0.0310 0.00000
542 -0.0032 0.00000
543 -0.1361 0.00000
544 0.0477 0.00000
545 0.0058 0.00000
546 0.0267 0.00000
547 0.0344 0.00000
548 -0.0025 0.00000
549 -0.0148 0.00000
550 -0.0046 0.00000
551 -0.0173 0.00000
552 0.1703 0.00000
553 -0.0164 0.00000
554 0.1352 0.00000
555 0.0056 0.00000
556 0.0816 0.00000
557 0.0557 0.00000
558 0.0431 0.00000
559 -0.0110 0.00000
560 0.0830 0.00000
561 0.2273 0.00000
562 0.0168 0.00000
563 0.1385 0.00000
564 0.0314 0.00000
565 0.1569 0.00000
566 0.0811 0.00000
567 0.0402 0.00000
568 -0.0140 0.00000
569 0.0674 0.00000
570 0.0292 0.00000
571 -0.0027 0.00000
572 0.0434 0.00000
573 -0.0261 0.00000
574 -0.0025 0.00000
575 0.0485 0.00000
576 -0.0343 0.00000
577 0.1348 0.00000
578 0.0816 0.00000
579 -0.0363 0.00000
580 0.0101 0.00000
581 -0.0280 0.00000
582 0.2999 0.00000
583 -0.0451 0.00000
584 0.1687 0.00000
585 -0.0263 0.00000
586 -0.0281 0.00000
587 0.0706 0.00000
588 -0.0327 0.00000
589 0.0732 0.00000
590 -0.0274 0.00000
591 -0.0242 0.00000
592 0.0050 0.00000
593 0.0077 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0203 0.00000
597 -0.0298 0.00000
598 0.0430 0.00000
599 0.0091 0.00000
600 -0.0937 0.00000
601 -0.1052 0.00000
602 0.0323 0.00000
603 0.0043 0.00000
604 -0.0315 0.00000
605 -0.0321 0.00000
606 -0.0143 0.00000
607 0.0052 0.00000
608 0.0059 0.00000
609 0.0081 0.00000
610 0.0586 0.00000
611 0.0139 0.00000
612 -0.0045 0.00000
613 0.0578 0.00000
614 0.0695 0.00000
615 0.0248 0.00000
616 0.0748 0.00000
617 0.0954 0.00000
618 -0.0398 0.00000
619 0.1627 0.00000
620 0.0196 0.00000
621 0.0176 0.00000
622 0.0273 0.00000
623 0.0169 0.00000
624 0.0442 0.00000
625 0.0646 0.00000
626 -0.0012 0.00000
627 0.0688 0.00000
628 0.0795 0.00000
629 0.0615 0.00000
630 0.0070 0.00000
631 -0.0024 0.00000
632 0.1403 0.00000
633 0.0823 0.00000
634 0.0212 0.00000
635 0.0086 0.00000
636 0.0777 0.00000
637 -0.0069 0.00000
638 0.0379 0.00000
639 0.0299 0.00000
640 0.0067 0.00000
641 0.2605 0.00000
642 -0.0221 0.00000
643 0.0249 0.00000
644 0.0181 0.00000
645 0.0046 0.00000
646 0.0078 0.00000
647 -0.0031 0.00000
648 0.0403 0.00000
649 0.0072 0.00000
650 0.0094 0.00000
651 -0.0365 0.00000
652 0.0526 0.00000
653 0.0003 0.00000
654 0.0498 0.00000
655 0.2711 0.00000
656 0.0335 0.00000
657 0.0326 0.00000
658 0.0770 0.00000
659 0.0049 0.00000
660 0.0145 0.00000
661 0.0882 0.00000
662 0.0216 0.00000
663 0.0177 0.00000
664 0.0301 0.00000
665 0.0345 0.00000
666 0.0274 0.00000
667 -0.0238 0.00000
668 -0.0339 0.00000
669 0.0878 0.00000
670 0.0083 0.00000
671 -0.0073 0.00000
672 0.0279 0.00000
673 0.0705 0.00000
674 0.0150 0.00000
675 -0.0075 0.00000
676 -0.0022 0.00000
677 0.0039 0.00000
678 0.1384 0.00000
679 0.0131 0.00000
680 -0.0053 0.00000
681 -0.0070 0.00000
682 0.0405 0.00000
683 0.0410 0.00000
684 -0.0071 0.00000
685 0.0070 0.00000
686 0.0056 0.00000
687 -0.0299 0.00000
688 0.1142 0.00000
689 0.1145 0.00000
690 0.0139 0.00000
691 0.0601 0.00000
692 -0.0333 0.00000
693 -0.0038 0.00000
694 -0.0096 0.00000
695 -0.0297 0.00000
696 0.0514 0.00000
697 0.0283 0.00000
698 -0.0041 0.00000
699 0.0482 0.00000
700 -0.0067 0.00000
701 0.0094 0.00000
702 0.0584 0.00000
703 0.0335 0.00000
704 0.0513 0.00000
705 -0.0154 0.00000
706 -0.0187 0.00000
707 0.0539 0.00000
708 -0.0550 0.00000
709 0.0087 0.00000
710 0.0096 0.00000
711 0.0397 0.00000
712 -0.0360 0.00000
713 -0.0182 0.00000
714 0.0141 0.00000
715 -0.0119 0.00000
716 0.0091 0.00000
717 0.0074 0.00000
718 0.0292 0.00000
719 -0.0353 0.00000
720 -0.0473 0.00000
721 -0.0184 0.00000
722 0.0633 0.00000
723 -0.0094 0.00000
724 0.0459 0.00000
725 -0.0188 0.00000
726 0.0125 0.00000
727 -0.0419 0.00000
728 -0.0179 0.00000
729 -0.0013 0.00000
730 -0.0185 0.00000
731 -0.0062 0.00000
732 -0.0442 0.00000
733 -0.0037 0.00000
734 -0.0267 0.00000
735 0.0515 0.00000
736 0.0378 0.00000
737 -0.0122 0.00000
738 0.0101 0.00000
739 -0.0082 0.00000
740 0.0217 0.00000
741 -0.0325 0.00000
742 -0.0145 0.00000
743 -0.0002 0.00000
744 0.0011 0.00000
745 0.0365 0.00000
746 0.0227 0.00000
747 -0.0091 0.00000
748 0.0086 0.00000
749 -0.0211 0.00000
750 0.1066 0.00000
751 0.0032 0.00000
752 -0.0060 0.00000
753 0.0192 0.00000
754 0.0091 0.00000
755 -0.0002 0.00000
756 0.0035 0.00000
757 -0.0018 0.00000
758 -0.0383 0.00000
759 -0.0154 0.00000
760 0.0017 0.00000
761 -0.0098 0.00000
762 0.0122 0.00000
763 -0.0018 0.00000
764 0.0045 0.00000
765 0.0127 0.00000
766 -0.0056 0.00000
767 -0.0199 0.00000
768 0.0419 0.00000
769 0.0152 0.00000
770 -0.0350 0.00000
771 0.0110 0.00000
772 -0.0257 0.00000
773 0.0020 0.00000
774 0.0120 0.00000
775 0.0033 0.00000
776 0.0131 0.00000
777 0.0463 0.00000
778 -0.0102 0.00000
779 -0.0017 0.00000
780 0.1028 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0243 0.00000
4 0.0040 0.00000
5 -0.5206 0.00000
6 -0.3787 0.00000
7 0.0231 0.00000
8 -0.0371 0.00000
9 -1.2790 0.00000
10 -0.6587 0.00000
11 -0.0592 0.00000
12 -0.0462 0.00000
13 0.0146 0.00000
14 0.0692 0.00000
15 0.0288 0.00000
16 -0.1503 0.00000
17 -0.2540 0.00000
18 0.0017 0.00000
19 -0.0029 0.00000
20 -0.0025 0.00000
21 0.0375 0.00000
22 -0.3566 0.00000
23 0.0006 0.00000
24 -0.2720 0.00000
25 -0.2587 0.00000
26 0.1365 0.00000
27 0.1668 0.00000
28 0.0409 0.00000
29 -0.1132 0.00000
30 0.0124 0.00000
31 -0.0508 0.00000
32 0.1721 0.00000
33 0.0793 0.00000
34 0.1295 0.00000
35 0.0377 0.00000
36 -0.3341 0.00000
37 0.0704 0.00000
38 -0.0544 0.00000
39 -0.3680 0.00000
40 0.0536 0.00000
41 -0.1235 0.00000
42 -0.0381 0.00000
43 0.2429 0.00000
44 0.0938 0.00000
45 -0.6889 0.00000
46 -0.0632 0.00000
47 -0.1021 0.00000
48 -0.1886 0.00000
49 -0.2202 0.00000
50 -0.4901 0.00000
51 0.0597 0.00000
52 -0.1149 0.00000
53 -0.0013 0.00000
54 0.0509 0.00000
55 -0.0367 0.00000
56 -0.6618 0.00000
57 0.0901 0.00000
58 -0.1790 0.00000
59 -0.2088 0.00000
60 -0.2237 0.00000
61 -0.0775 0.00000
62 -0.0122 0.00000
63 -0.3855 0.00000
64 -0.3470 0.00000
65 0.0093 0.00000
66 -0.0372 0.00000
67 -0.4208 0.00000
68 -0.3680 0.00000
69 -0.0026 0.00000
70 -0.0055 0.00000
71 0.2332 0.00000
72 0.0536 0.00000
73 -0.0392 0.00000
74 -0.0126 0.00000
75 -0.0117 0.00000
76 0.0031 0.00000
77 -0.0142 0.00000
78 0.0484 0.00000
79 -0.0273 0.00000
80 -0.0319 0.00000
81 0.0635 0.00000
82 0.1215 0.00000
83 0.0294 0.00000
84 -0.0233 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0230 0.00000
90 0.0855 0.00000
91 0.0054 0.00000
92 0.0156 0.00000
93 0.0143 0.00000
94 -0.0541 0.00000
95 -0.0997 0.00000
96 -0.0173 0.00000
97 0.0491 0.00000
98 0.1124 0.00000
99 -0.0170 0.00000
100 0.1975 0.00000
101 -0.0109 0.00000
102 0.4580 0.00000
103 0.1099 0.00000
104 0.0033 0.00000
105 0.1298 0.00000
106 0.0111 0.00000
107 -0.0017 0.00000
108 0.0056 0.00000
109 0.1386 0.00000
110 -0.0334 0.00000
111 0.1320 0.00000
112 -0.0758 0.00000
113 -0.0139 0.00000
114 0.0407 0.00000
115 0.1260 0.00000
116 -0.0447 0.00000
117 0.1024 0.00000
118 -0.0381 0.00000
119 0.0406 0.00000
120 -0.0022 0.00000
121 0.2990 0.00000
122 0.1691 0.00000
123 0.0774 0.00000
124 0.0507 0.00000
125 0.0439 0.00000
126 0.1782 0.00000
127 0.0066 0.00000
128 -0.0210 0.00000
129 -0.0340 0.00000
130 0.0796 0.00000
131 -0.0001 0.00000
132 -0.0298 0.00000
133 0.0128 0.00000
134 0.1102 0.00000
135 -0.0463 0.00000
136 0.1290 0.00000
137 -0.1718 0.00000
138 0.2652 0.00000
139 0.0977 0.00000
140 0.0011 0.00000
141 0.0784 0.00000
142 -0.0217 0.00000
143 0.0307 0.00000
144 -0.0205 0.00000
145 -0.0444 0.00000
146 -0.0198 0.00000
147 0.0228 0.00000
148 -0.0652 0.00000
149 -0.6178 0.00000
150 0.0486 0.00000
151 -0.7759 0.00000
152 -0.0081 0.00000
153 -0.0517 0.00000
154 -0.2230 0.00000
155 0.0072 0.00000
156 -0.0133 0.00000
157 0.0970 0.00000
158 -0.0109 0.00000
159 -0.2194 0.00000
160 -0.2481 0.00000
161 -0.1196 0.00000
162 -0.0485 0.00000
163 0.0642 0.00000
164 0.0768 0.00000
165 0.0622 0.00000
166 0.0371 0.00000
167 -0.0098 0.00000
168 -0.0379 0.00000
169 -0.0629 0.00000
170 -0.0298 0.00000
171 0.0578 0.00000
172 0.0170 0.00000
173 0.0128 0.00000
174 -0.0305 0.00000
175 -0.1159 0.00000
176 -0.1204 0.00000
177 0.0473 0.00000
178 0.0161 0.00000
179 0.0110 0.00000
180 0.0386 0.00000
181 -0.1247 0.00000
182 -0.0021 0.00000
183 -0.0044 0.00000
184 -0.0001 0.00000
185 0.0240 0.00000
186 -0.0402 0.00000
187 -0.0114 0.00000
188 -0.1845 0.00000
189 0.0014 0.00000
190 -0.1186 0.00000
191 -0.0132 0.00000
192 -0.0835 0.00000
193 -0.0693 0.00000
194 -0.0400 0.00000
195 -0.0635 0.00000
196 0.0589 0.00000
197 -0.0521 0.00000
198 -0.0457 0.00000
199 0.0118 0.00000
200 -0.3599 0.00000
201 -0.1421 0.00000
202 -0.2241 0.00000
203 -0.0443 0.00000
204 -0.2318 0.00000
205 -0.2012 0.00000
206 -0.0251 0.00000
207 -0.0874 0.00000
208 -0.3432 0.00000
209 -0.0656 0.00000
210 -0.2078 0.00000
211 -0.0702 0.00000
212 -0.0460 0.00000
213 -0.0873 0.00000
214 -0.2489 0.00000
215 -0.1769 0.00000
216 0.1118 0.00000
217 -0.0968 0.00000
218 0.0424 0.00000
219 -0.6278 0.00000
220 -0.4401 0.00000
221 -0.1930 0.00000
222 -0.0362 0.00000
223 -0.1654 0.00000
224 -0.1777 0.00000
225 -0.1242 0.00000
226 -0.0006 0.00000
227 0.0067 0.00000
228 -0.0324 0.00000
229 0.0673 0.00000
230 0.0419 0.00000
231 -0.0246 0.00000
232 0.0057 0.00000
233 0.0177 0.00000
234 0.0701 0.00000
235 -0.0544 0.00000
236 0.0025 0.00000
237 0.0395 0.00000
238 -0.0353 0.00000
239 0.0260 0.00000
240 0.0007 0.00000
241 0.0163 0.00000
242 0.0110 0.00000
243 0.1724 0.00000
244 0.0458 0.00000
245 0.0071 0.00000
246 0.0157 0.00000
247 0.3550 0.00000
248 0.5659 0.00000
249 0.0088 0.00000
250 0.0084 0.00000
251 0.0075 0.00000
252 -0.0048 0.00000
253 -0.0643 0.00000
254 -0.0300 0.00000
255 0.0226 0.00000
256 0.0345 0.00000
257 0.1054 0.00000
258 0.0033 0.00000
259 -0.0194 0.00000
260 0.0499 0.00000
261 -0.0119 0.00000
262 -0.0128 0.00000
263 0.0041 0.00000
264 0.0596 0.00000
265 0.0218 0.00000
266 0.0294 0.00000
267 -0.0415 0.00000
268 0.0107 0.00000
269 0.0298 0.00000
270 -0.0065 0.00000
271 0.0435 0.00000
272 0.0908 0.00000
273 0.0180 0.00000
274 0.1462 0.00000
275 0.0460 0.00000
276 0.0901 0.00000
277 0.0590 0.00000
278 0.0027 0.00000
279 -0.0011 0.00000
280 0.1473 0.00000
281 0.1294 0.00000
282 0.0085 0.00000
283 0.0782 0.00000
284 0.0607 0.00000
285 0.0669 0.00000
286 -0.0461 0.00000
287 -0.0286 0.00000
288 -0.0166 0.00000
289 0.0318 0.00000
290 0.0732 0.00000
291 0.0190 0.00000
292 -0.0169 0.00000
293 -0.0378 0.00000
294 -0.0043 0.00000
295 0.0600 0.00000
296 0.0626 0.00000
297 0.0771 0.00000
298 0.0324 0.00000
299 0.0613 0.00000
300 -0.0122 0.00000
301 0.0217 0.00000
302 0.0683 0.00000
303 -0.0087 0.00000
304 0.1098 0.00000
305 0.0536 0.00000
306 0.0099 0.00000
307 0.0217 0.00000
308 -0.0057 0.00000
309 0.0195 0.00000
310 0.0364 0.00000
311 0.0302 0.00000
312 -0.0517 0.00000
313 -0.0212 0.00000
314 0.0450 0.00000
315 0.0662 0.00000
316 -0.0016 0.00000
317 -0.0568 0.00000
318 0.0275 0.00000
319 -0.0329 0.00000
320 0.0719 0.00000
321 0.0238 0.00000
322 -0.0835 0.00000
323 0.0376 0.00000
324 -0.0114 0.00000
325 0.0176 0.00000
326 -0.0153 0.00000
327 -0.0153 0.00000
328 -0.0198 0.00000
329 0.1145 0.00000
330 -0.0581 0.00000
331 -0.0422 0.00000
332 -0.0183 0.00000
333 0.0131 0.00000
334 0.0146 0.00000
335 -0.0042 0.00000
336 -0.0475 0.00000
337 0.0860 0.00000
338 -0.1754 0.00000
339 -0.0118 0.00000
340 -0.0388 0.00000
341 0.0185 0.00000
342 -0.0198 0.00000
343 -0.0491 0.00000
344 -0.0247 0.00000
345 -0.0241 0.00000
346 -0.0774 0.00000
347 -0.0106 0.00000
348 -0.0673 0.00000
349 -0.0145 0.00000
350 -0.1019 0.00000
351 -0.0165 0.00000
352 -0.0594 0.00000
353 -0.1672 0.00000
354 -0.0301 0.00000
355 0.0007 0.00000
356 0.0214 0.00000
357 0.0011 0.00000
358 -0.1751 0.00000
359 -0.0461 0.00000
360 -0.1447 0.00000
361 0.0370 0.00000
362 0.0225 0.00000
363 -0.1753 0.00000
364 -0.0000 0.00000
365 -0.0826 0.00000
366 0.0065 0.00000
367 -0.0239 0.00000
368 -0.0734 0.00000
369 0.0385 0.00000
370 -0.0540 0.00000
371 -0.0143 0.00000
372 -0.0095 0.00000
373 0.2273 0.00000
374 -0.0959 0.00000
375 0.0004 0.00000
376 -0.0475 0.00000
377 -0.0714 0.00000
378 -0.0091 0.00000
379 -0.0163 0.00000
380 0.0138 0.00000
381 0.0477 0.00000
382 -0.0425 0.00000
383 -0.0149 0.00000
384 -0.0033 0.00000
385 -0.0064 0.00000
386 0.0524 0.00000
387 0.0035 0.00000
388 -0.1694 0.00000
389 -0.0245 0.00000
390 0.0342 0.00000
391 -0.1120 0.00000
392 -0.1016 0.00000
393 0.0608 0.00000
394 -0.3442 0.00000
395 0.0206 0.00000
396 -0.0523 0.00000
397 -0.0814 0.00000
398 -0.0062 0.00000
399 -0.1246 0.00000
400 -0.0310 0.00000
401 -0.1162 0.00000
402 -0.0640 0.00000
403 0.0008 0.00000
404 -0.0812 0.00000
405 -0.1835 0.00000
406 -0.0787 0.00000
407 -0.1569 0.00000
408 -0.0276 0.00000
409 -0.1540 0.00000
410 -0.0227 0.00000
411 -0.1190 0.00000
412 -0.0230 0.00000
413 -0.0558 0.00000
414 -0.4309 0.00000
415 0.0588 0.00000
416 -0.0099 0.00000
417 -0.0143 0.00000
418 -0.1279 0.00000
419 -0.0390 0.00000
420 -0.0649 0.00000
421 -0.0015 0.00000
422 -0.0777 0.00000
423 -0.0193 0.00000
424 -0.0470 0.00000
425 -0.0265 0.00000
426 -0.1873 0.00000
427 0.0011 0.00000
428 0.0266 0.00000
429 -0.0330 0.00000
430 0.0012 0.00000
431 -0.0040 0.00000
432 0.0252 0.00000
433 0.0262 0.00000
434 -0.0339 0.00000
435 0.0420 0.00000
436 -0.0479 0.00000
437 -0.0617 0.00000
438 -0.0909 0.00000
439 0.0245 0.00000
440 -0.0856 0.00000
441 -0.0067 0.00000
442 -0.0045 0.00000
443 -0.0137 0.00000
444 -0.1210 0.00000
445 -0.0307 0.00000
446 0.0214 0.00000
447 -0.0107 0.00000
448 -0.0819 0.00000
449 -0.0139 0.00000
450 -0.0204 0.00000
451 -0.0100 0.00000
452 -0.0507 0.00000
453 -0.0145 0.00000
454 0.0025 0.00000
455 0.0453 0.00000
456 0.0047 0.00000
457 0.0152 0.00000
458 -0.0953 0.00000
459 -0.1550 0.00000
460 0.0025 0.00000
461 -0.0466 0.00000
462 0.0492 0.00000
463 -0.0287 0.00000
464 -0.0159 0.00000
465 0.0116 0.00000
466 -0.0464 0.00000
467 -0.0847 0.00000
468 -0.0261 0.00000
469 0.0018 0.00000
470 0.0227 0.00000
471 0.0664 0.00000
472 -0.0082 0.00000
473 -0.0738 0.00000
474 -0.1103 0.00000
475 0.0098 0.00000
476 -0.1102 0.00000
477 0.0086 0.00000
478 -0.0786 0.00000
479 0.0143 0.00000
480 -0.1170 0.00000
481 0.0140 0.00000
482 0.0318 0.00000
483 -0.0429 0.00000
484 -0.0544 0.00000
485 -0.0393 0.00000
486 -0.0428 0.00000
487 -0.0150 0.00000
488 0.1593 0.00000
489 0.0246 0.00000
490 0.0063 0.00000
491 0.0442 0.00000
492 -0.0057 0.00000
493 -0.0784 0.00000
494 -0.0063 0.00000
495 -0.0368 0.00000
496 -0.0886 0.00000
497 -0.0355 0.00000
498 -0.1095 0.00000
499 0.0062 0.00000
500 -0.0374 0.00000
501 -0.1677 0.00000
502 -0.0513 0.00000
503 -0.1413 0.00000
504 0.0103 0.00000
505 0.0062 0.00000
506 -0.0567 0.00000
507 -0.0251 0.00000
508 -0.0830 0.00000
509 -0.1793 0.00000
510 0.0206 0.00000
511 -0.0206 0.00000
512 -0.1150 0.00000
513 -0.1177 0.00000
514 -0.0194 0.00000
515 -0.0225 0.00000
516 0.0147 0.00000
517 -0.0284 0.00000
518 0.0239 0.00000
519 -0.2838 0.00000
520 -0.0726 0.00000
521 -0.0317 0.00000
522 -0.0141 0.00000
523 -0.0569 0.00000
524 0.0553 0.00000
525 0.0934 0.00000
526 0.0233 0.00000
527 0.0375 0.00000
528 -0.0641 0.00000
529 -0.0932 0.00000
530 0.2258 0.00000
531 0.0595 0.00000
532 -0.0335 0.00000
533 0.0215 0.00000
534 0.0542 0.00000
535 -0.0900 0.00000
536 0.0206 0.00000
537 0.0217 0.00000
538 -0.1061 0.00000
539 -0.0711 0.00000
540 -0.1314 0.00000
541 -0.0554 0.00000
542 -0.0464 0.00000
543 -0.0201 0.00000
544 0.1164 0.00000
545 0.0487 0.00000
546 -0.0292 0.00000
547 0.0204 0.00000
548 -0.0514 0.00000
549 -0.0063 0.00000
550 -0.0004 0.00000
551 0.1180 0.00000
552 0.0178 0.00000
553 0.0366 0.00000
554 -0.0038 0.00000
555 0.0418 0.00000
556 0.1322 0.00000
557 0.0471 0.00000
558 0.0184 0.00000
559 0.1535 0.00000
560 0.3726 0.00000
561 0.0244 0.00000
562 0.0479 0.00000
563 0.0723 0.00000
564 0.0538 0.00000
565 0.0703 0.00000
566 0.0302 0.00000
567 0.0580 0.00000
568 0.0260 0.00000
569 0.0251 0.00000
570 -0.0298 0.00000
571 0.0358 0.00000
572 -0.0305 0.00000
573 0.1595 0.00000
574 0.0276 0.00000
575 0.0212 0.00000
576 0.0163 0.00000
577 -0.0495 0.00000
578 0.0173 0.00000
579 0.2803 0.00000
580 0.0426 0.00000
581 -0.0283 0.00000
582 0.0112 0.00000
583 -0.0212 0.00000
584 0.1524 0.00000
585 0.0096 0.00000
586 -0.0178 0.00000
587 0.0821 0.00000
588 -0.0485 0.00000
589 0.0722 0.00000
590 -0.0292 0.00000
591 -0.0162 0.00000
592 0.0008 0.00000
593 0.0081 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0203 0.00000
597 -0.0297 0.00000
598 0.0361 0.00000
599 0.0704 0.00000
600 -0.1730 0.00000
601 -0.1055 0.00000
602 0.0521 0.00000
603 -0.1359 0.00000
604 -0.0044 0.00000
605 0.0886 0.00000
606 0.1185 0.00000
607 -0.0048 0.00000
608 0.0217 0.00000
609 -0.0230 0.00000
610 0.0230 0.00000
611 0.0383 0.00000
612 0.0052 0.00000
613 -0.0199 0.00000
614 0.0026 0.00000
615 0.0533 0.00000
616 0.1821 0.00000
617 0.0127 0.00000
618 0.0311 0.00000
619 0.0320 0.00000
620 -0.0069 0.00000
621 0.0365 0.00000
622 0.0216 0.00000
623 -0.0261 0.00000
624 -0.0362 0.00000
625 -0.0261 0.00000
626 0.1539 0.00000
627 0.0827 0.00000
628 0.1147 0.00000
629 0.0710 0.00000
630 0.0687 0.00000
631 0.0447 0.00000
632 0.0765 0.00000
633 0.0518 0.00000
634 0.0605 0.00000
635 0.0576 0.00000
636 0.0986 0.00000
637 -0.0154 0.00000
638 0.1314 0.00000
639 0.0199 0.00000
640 -0.0038 0.00000
641 -0.0240 0.00000
642 0.0140 0.00000
643 0.0201 0.00000
644 0.0288 0.00000
645 0.0840 0.00000
646 0.0746 0.00000
647 0.0201 0.00000
648 0.0502 0.00000
649 0.0932 0.00000
650 0.0189 0.00000
651 0.0912 0.00000
652 0.0553 0.00000
653 -0.0092 0.00000
654 0.0319 0.00000
655 0.0927 0.00000
656 -0.0040 0.00000
657 -0.0042 0.00000
658 0.0455 0.00000
659 -0.0385 0.00000
660 0.0326 0.00000
661 -0.0010 0.00000
662 -0.0165 0.00000
663 0.1296 0.00000
664 0.0143 0.00000
665 0.0450 0.00000
666 0.0256 0.00000
667 0.0625 0.00000
668 -0.0013 0.00000
669 0.0060 0.00000
670 0.0417 0.00000
671 0.0485 0.00000
672 0.0831 0.00000
673 0.0722 0.00000
674 -0.0258 0.00000
675 0.0183 0.00000
676 0.0508 0.00000
677 0.0067 0.00000
678 0.0239 0.00000
679 0.0067 0.00000
680 0.0273 0.00000
681 0.0101 0.00000
682 -0.0470 0.00000
683 -0.0160 0.00000
684 0.0355 0.00000
685 0.0045 0.00000
686 0.0381 0.00000
687 0.0240 0.00000
688 -0.0039 0.00000
689 0.0116 0.00000
690 -0.0139 0.00000
691 0.0350 0.00000
692 0.0215 0.00000
693 -0.0216 0.00000
694 0.0425 0.00000
695 0.0422 0.00000
696 0.0209 0.00000
697 -0.0728 0.00000
698 0.0632 0.00000
699 0.0420 0.00000
700 0.0237 0.00000
701 0.0428 0.00000
702 0.0152 0.00000
703 0.0454 0.00000
704 -0.0095 0.00000
705 -0.0235 0.00000
706 0.0256 0.00000
707 -0.0274 0.00000
708 0.0026 0.00000
709 -0.0152 0.00000
710 -0.0211 0.00000
711 0.0087 0.00000
712 0.0241 0.00000
713 0.0048 0.00000
714 -0.0558 0.00000
715 0.0085 0.00000
716 0.0762 0.00000
717 -0.0106 0.00000
718 0.0331 0.00000
719 -0.0329 0.00000
720 -0.0242 0.00000
721 0.0243 0.00000
722 -0.0636 0.00000
723 0.0133 0.00000
724 0.0705 0.00000
725 0.0335 0.00000
726 -0.0062 0.00000
727 -0.0184 0.00000
728 0.0198 0.00000
729 0.0291 0.00000
730 0.0879 0.00000
731 0.0084 0.00000
732 0.0403 0.00000
733 0.0099 0.00000
734 -0.0536 0.00000
735 0.0077 0.00000
736 0.0505 0.00000
737 -0.0380 0.00000
738 0.0356 0.00000
739 -0.0527 0.00000
740 0.0008 0.00000
741 0.0042 0.00000
742 -0.0208 0.00000
743 -0.0162 0.00000
744 -0.0220 0.00000
745 -0.0062 0.00000
746 0.0648 0.00000
747 -0.0160 0.00000
748 -0.0127 0.00000
749 0.0240 0.00000
750 -0.0063 0.00000
751 -0.0173 0.00000
752 0.0025 0.00000
753 0.0384 0.00000
754 0.0040 0.00000
755 0.0460 0.00000
756 0.0206 0.00000
757 0.0711 0.00000
758 -0.0109 0.00000
759 0.0126 0.00000
760 -0.0226 0.00000
761 0.0406 0.00000
762 -0.0583 0.00000
763 -0.0047 0.00000
764 -0.0017 0.00000
765 0.0459 0.00000
766 -0.0157 0.00000
767 0.0153 0.00000
768 0.0066 0.00000
769 -0.0098 0.00000
770 -0.0200 0.00000
771 -0.0072 0.00000
772 0.0095 0.00000
773 0.0146 0.00000
774 -0.0050 0.00000
775 0.0147 0.00000
776 0.0025 0.00000
777 0.0115 0.00000
778 0.0340 0.00000
779 0.0170 0.00000
780 -0.0211 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.0267 0.00000
2 -0.0067 0.00000
3 -0.0243 0.00000
4 -0.0003 0.00000
5 -0.5156 0.00000
6 -0.3840 0.00000
7 0.0273 0.00000
8 -0.0363 0.00000
9 -1.2831 0.00000
10 -0.6548 0.00000
11 -0.0593 0.00000
12 -0.0452 0.00000
13 0.0145 0.00000
14 0.0692 0.00000
15 0.0288 0.00000
16 -0.1535 0.00000
17 -0.1328 0.00000
18 -0.1334 0.00000
19 0.0194 0.00000
20 -0.0100 0.00000
21 0.0358 0.00000
22 -0.3488 0.00000
23 -0.0075 0.00000
24 -0.1816 0.00000
25 -0.3390 0.00000
26 0.1133 0.00000
27 0.1752 0.00000
28 0.0273 0.00000
29 -0.1182 0.00000
30 0.0044 0.00000
31 0.0045 0.00000
32 0.2052 0.00000
33 0.0861 0.00000
34 0.1289 0.00000
35 0.0290 0.00000
36 -0.4687 0.00000
37 0.0771 0.00000
38 -0.0670 0.00000
39 -0.2083 0.00000
40 0.0536 0.00000
41 -0.1526 0.00000
42 -0.0581 0.00000
43 0.2468 0.00000
44 -0.3402 0.00000
45 -0.1196 0.00000
46 -0.1163 0.00000
47 -0.0860 0.00000
48 -0.3155 0.00000
49 -0.6200 0.00000
50 -0.0572 0.00000
51 0.0536 0.00000
52 -0.2078 0.00000
53 0.0058 0.00000
54 0.0489 0.00000
55 0.0225 0.00000
56 -0.6129 0.00000
57 0.0901 0.00000
58 -0.1253 0.00000
59 -0.3490 0.00000
60 -0.2879 0.00000
61 -0.3676 0.00000
62 0.0100 0.00000
63 -0.0249 0.00000
64 -0.2579 0.00000
65 0.0011 0.00000
66 -0.0629 0.00000
67 -0.4903 0.00000
68 -0.3417 0.00000
69 -0.0024 0.00000
70 -0.0036 0.00000
71 0.2336 0.00000
72 0.0535 0.00000
73 -0.0392 0.00000
74 -0.0121 0.00000
75 -0.0109 0.00000
76 0.0017 0.00000
77 -0.0140 0.00000
78 0.0482 0.00000
79 -0.0269 0.00000
80 -0.0317 0.00000
81 0.0631 0.00000
82 0.1215 0.00000
83 0.0294 0.00000
84 -0.0233 0.00000
85 -0.0022 0.00000
86 -0.0077 0.00000
87 -0.0115 0.00000
88 -0.0152 0.00000
89 -0.0230 0.00000
90 0.0853 0.00000
91 0.0057 0.00000
92 0.0156 0.00000
93 0.0139 0.00000
94 -0.0510 0.00000
95 -0.1003 0.00000
96 -0.0235 0.00000
97 0.0400 0.00000
98 0.1530 0.00000
99 0.0418 0.00000
100 -0.0032 0.00000
101 0.1067 0.00000
102 0.4586 0.00000
103 0.0789 0.00000
104 0.0227 0.00000
105 0.1416 0.00000
106 0.0146 0.00000
107 0.0047 0.00000
108 -0.0020 0.00000
109 0.1630 0.00000
110 -0.0369 0.00000
111 0.0556 0.00000
112 -0.0795 0.00000
113 0.0460 0.00000
114 0.0249 0.00000
115 0.1505 0.00000
116 -0.0441 0.00000
117 0.0937 0.00000
118 -0.0358 0.00000
119 0.0786 0.00000
120 -0.0406 0.00000
121 0.2834 0.00000
122 0.1580 0.00000
123 0.1342 0.00000
124 0.0198 0.00000
125 0.0308 0.00000
126 0.1644 0.00000
127 -0.0068 0.00000
128 0.0263 0.00000
129 -0.0379 0.00000
130 0.0620 0.00000
131 0.0124 0.00000
132 -0.0330 0.00000
133 0.0138 0.00000
134 0.1037 0.00000
135 -0.0458 0.00000
136 0.1205 0.00000
137 -0.1714 0.00000
138 0.2705 0.00000
139 0.1002 0.00000
140 0.0109 0.00000
141 0.0781 0.00000
142 -0.0224 0.00000
143 0.0258 0.00000
144 -0.0244 0.00000
145 -0.0423 0.00000
146 -0.0201 0.00000
147 0.0228 0.00000
148 -0.0334 0.00000
149 -0.6665 0.00000
150 0.0107 0.00000
151 -0.6948 0.00000
152 -0.0031 0.00000
153 -0.0370 0.00000
154 -0.1689 0.00000
155 -0.1036 0.00000
156 0.0268 0.00000
157 -0.0136 0.00000
158 -0.0898 0.00000
159 -0.0673 0.00000
160 -0.1258 0.00000
161 -0.0669 0.00000
162 -0.2668 0.00000
163 0.0997 0.00000
164 0.0249 0.00000
165 0.0137 0.00000
166 0.0619 0.00000
167 -0.0049 0.00000
168 0.0884 0.00000
169 -0.0874 0.00000
170 -0.0274 0.00000
171 -0.0269 0.00000
172 0.0157 0.00000
173 0.0552 0.00000
174 0.0078 0.00000
175 -0.0315 0.00000
176 -0.0550 0.00000
177 0.0201 0.00000
178 -0.0931 0.00000
179 -0.1159 0.00000
180 -0.0230 0.00000
181 0.0358 0.00000
182 0.0592 0.00000
183 -0.0464 0.00000
184 -0.0138 0.00000
185 -0.0823 0.00000
186 0.0317 0.00000
187 -0.0353 0.00000
188 -0.1412 0.00000
189 -0.0337 0.00000
190 -0.0349 0.00000
191 -0.0183 0.00000
192 -0.0174 0.00000
193 -0.0673 0.00000
194 -0.1522 0.00000
195 -0.0639 0.00000
196 0.0949 0.00000
197 -0.0737 0.00000
198 -0.1477 0.00000
199 -0.2654 0.00000
200 0.0239 0.00000
201 -0.0237 0.00000
202 -0.2892 0.00000
203 -0.0417 0.00000
204 -0.2374 0.00000
205 -0.2264 0.00000
206 -0.0668 0.00000
207 -0.1200 0.00000
208 -0.1309 0.00000
209 -0.1879 0.00000
210 -0.2586 0.00000
211 -0.0782 0.00000
212 -0.1876 0.00000
213 -0.0295 0.00000
214 -0.1868 0.00000
215 -0.1439 0.00000
216 0.0625 0.00000
217 -0.1506 0.00000
218 0.0072 0.00000
219 -0.1272 0.00000
220 -1.0917 0.00000
221 0.0047 0.00000
222 0.0057 0.00000
223 -0.1370 0.00000
224 -0.1669 0.00000
225 -0.1068 0.00000
226 -0.0015 0.00000
227 0.0029 0.00000
228 -0.0326 0.00000
229 0.0653 0.00000
230 0.0424 0.00000
231 -0.0248 0.00000
232 -0.0005 0.00000
233 0.0226 0.00000
234 0.0707 0.00000
235 -0.0439 0.00000
236 -0.0035 0.00000
237 0.0447 0.00000
238 -0.0498 0.00000
239 0.0296 0.00000
240 0.0115 0.00000
241 0.0017 0.00000
242 -0.0041 0.00000
243 0.1179 0.00000
244 0.0462 0.00000
245 0.1244 0.00000
246 0.0204 0.00000
247 0.1994 0.00000
248 0.6894 0.00000
249 0.0083 0.00000
250 -0.0251 0.00000
251 0.0583 0.00000
252 -0.0988 0.00000
253 0.0211 0.00000
254 0.0131 0.00000
255 -0.0191 0.00000
256 0.0701 0.00000
257 -0.0050 0.00000
258 0.0119 0.00000
259 0.0082 0.00000
260 0.0634 0.00000
261 -0.0087 0.00000
262 0.0082 0.00000
263 0.0077 0.00000
264 0.0351 0.00000
265 0.0117 0.00000
266 0.0084 0.00000
267 0.0014 0.00000
268 -0.0044 0.00000
269 0.0039 0.00000
270 0.0295 0.00000
271 0.0401 0.00000
272 0.0637 0.00000
273 0.0093 0.00000
274 0.1577 0.00000
275 0.1205 0.00000
276 0.0570 0.00000
277 0.0176 0.00000
278 0.0501 0.00000
279 0.0706 0.00000
280 0.0399 0.00000
281 0.2358 0.00000
282 -0.0365 0.00000
283 0.0334 0.00000
284 0.0280 0.00000
285 -0.0579 0.00000
286 0.1038 0.00000
287 -0.0349 0.00000
288 0.0048 0.00000
289 0.0539 0.00000
290 0.0231 0.00000
291 0.0315 0.00000
292 -0.0066 0.00000
293 0.0109 0.00000
294 0.0268 0.00000
295 -0.0274 0.00000
296 0.0886 0.00000
297 0.0568 0.00000
298 -0.0342 0.00000
299 0.0569 0.00000
300 0.0224 0.00000
301 0.0542 0.00000
302 0.0635 0.00000
303 0.0252 0.00000
304 0.0518 0.00000
305 0.0197 0.00000
306 0.0210 0.00000
307 -0.0220 0.00000
308 0.0634 0.00000
309 0.0884 0.00000
310 0.0221 0.00000
311 0.0309 0.00000
312 -0.0421 0.00000
313 0.0294 0.00000
314 -0.0105 0.00000
315 0.0468 0.00000
316 -0.0244 0.00000
317 0.0092 0.00000
318 0.0255 0.00000
319 -0.0456 0.00000
320 0.0295 0.00000
321 0.0212 0.00000
322 0.0181 0.00000
323 -0.0724 0.00000
324 -0.0443 0.00000
325 0.0069 0.00000
326 0.0186 0.00000
327 -0.0330 0.00000
328 -0.0324 0.00000
329 0.0043 0.00000
330 -0.0221 0.00000
331 0.0305 0.00000
332 -0.0020 0.00000
333 -0.0223 0.00000
334 -0.0148 0.00000
335 0.0282 0.00000
336 0.0276 0.00000
337 0.0072 0.00000
338 -0.0091 0.00000
339 -0.0041 0.00000
340 -0.0828 0.00000
341 0.0076 0.00000
342 -0.0643 0.00000
343 -0.0465 0.00000
344 0.0353 0.00000
345 0.0056 0.00000
346 -0.1818 0.00000
347 -0.0492 0.00000
348 -0.0451 0.00000
349 0.0192 0.00000
350 -0.0535 0.00000
351 -0.2045 0.00000
352 -0.0443 0.00000
353 -0.0155 0.00000
354 -0.0946 0.00000
355 -0.0639 0.00000
356 0.0542 0.00000
357 -0.0197 0.00000
358 0.0342 0.00000
359 -0.1249 0.00000
360 -0.0595 0.00000
361 -0.0344 0.00000
362 -0.0926 0.00000
363 -0.1159 0.00000
364 -0.0164 0.00000
365 -0.0337 0.00000
366 -0.0663 0.00000
367 -0.0107 0.00000
368 -0.0460 0.00000
369 -0.0774 0.00000
370 -0.0266 0.00000
371 0.0356 0.00000
372 0.2499 0.00000
373 -0.0293 0.00000
374 -0.0525 0.00000
375 -0.0358 0.00000
376 0.0420 0.00000
377 -0.1019 0.00000
378 0.0040 0.00000
379 -0.0055 0.00000
380 -0.0195 0.00000
381 -0.0443 0.00000
382 0.0113 0.00000
383 -0.0215 0.00000
384 0.0218 0.00000
385 -0.0239 0.00000
386 0.0573 0.00000
387 0.0563 0.00000
388 -0.0715 0.00000
389 -0.2958 0.00000
390 0.0112 0.00000
391 -0.0631 0.00000
392 -0.0705 0.00000
393 -0.0680 0.00000
394 -0.0582 0.00000
395 -0.0907 0.00000
396 0.0010 0.00000
397 -0.0328 0.00000
398 -0.0541 0.00000
399 -0.0931 0.00000
400 -0.0395 0.00000
401 -0.1099 0.00000
402 -0.1068 0.00000
403 -0.1332 0.00000
404 -0.0158 0.00000
405 -0.0990 0.00000
406 -0.0963 0.00000
407 -0.2625 0.00000
408 -0.1493 0.00000
409 -0.0111 0.00000
410 -0.0548 0.00000
411 -0.0378 0.00000
412 -0.1210 0.00000
413 -0.0501 0.00000
414 -0.0500 0.00000
415 -0.0121 0.00000
416 -0.0572 0.00000
417 0.0006 0.00000
418 -0.3343 0.00000
419 -0.1015 0.00000
420 -0.0130 0.00000
421 -0.0299 0.00000
422 -0.0850 0.00000
423 -0.0389 0.00000
424 0.0291 0.00000
425 0.0187 0.00000
426 -0.0249 0.00000
427 -0.0405 0.00000
428 -0.0000 0.00000
429 -0.0779 0.00000
430 -0.0038 0.00000
431 -0.0759 0.00000
432 -0.0101 0.00000
433 -0.0140 0.00000
434 0.0598 0.00000
435 -0.0700 0.00000
436 -0.0608 0.00000
437 -0.0571 0.00000
438 -0.0450 0.00000
439 -0.0159 0.00000
440 -0.0034 0.00000
441 0.0134 0.00000
442 -0.0203 0.00000
443 0.0340 0.00000
444 -0.0356 0.00000
445 -0.0161 0.00000
446 -0.1241 0.00000
447 -0.0278 0.00000
448 -0.0455 0.00000
449 -0.0333 0.00000
450 0.0451 0.00000
451 -0.0252 0.00000
452 -0.0651 0.00000
453 -0.0748 0.00000
454 0.0374 0.00000
455 0.0156 0.00000
456 -0.0277 0.00000
457 -0.0272 0.00000
458 -0.0196 0.00000
459 0.0087 0.00000
460 0.0141 0.00000
461 -0.1394 0.00000
462 0.0097 0.00000
463 -0.0028 0.00000
464 -0.0396 0.00000
465 -0.0252 0.00000
466 -0.0430 0.00000
467 -0.0870 0.00000
468 -0.0087 0.00000
469 -0.1060 0.00000
470 0.0061 0.00000
471 0.0256 0.00000
472 0.0574 0.00000
473 -0.0293 0.00000
474 -0.1197 0.00000
475 -0.0681 0.00000
476 0.0940 0.00000
477 -0.0068 0.00000
478 -0.0029 0.00000
479 -0.0573 0.00000
480 0.0126 0.00000
481 -0.0235 0.00000
482 -0.0835 0.00000
483 -0.0018 0.00000
484 0.0118 0.00000
485 0.0085 0.00000
486 -0.0606 0.00000
487 0.0957 0.00000
488 -0.0512 0.00000
489 0.0091 0.00000
490 -0.0176 0.00000
491 -0.1428 0.00000
492 -0.0650 0.00000
493 -0.0043 0.00000
494 -0.0133 0.00000
495 0.0164 0.00000
496 -0.1581 0.00000
497 -0.1336 0.00000
498 -0.0023 0.00000
499 0.0111 0.00000
500 -0.2274 0.00000
501 0.0824 0.00000
502 0.0010 0.00000
503 -0.0525 0.00000
504 -0.0438 0.00000
505 -0.0161 0.00000
506 0.0133 0.00000
507 0.0022 0.00000
508 -0.1247 0.00000
509 0.0132 0.00000
510 0.0277 0.00000
511 -0.1860 0.00000
512 -0.0373 0.00000
513 -0.0339 0.00000
514 -0.2304 0.00000
515 -0.0920 0.00000
516 -0.0270 0.00000
517 -0.2517 0.00000
518 -0.0012 0.00000
519 -0.0187 0.00000
520 0.0055 0.00000
521 0.0876 0.00000
522 0.0442 0.00000
523 0.1661 0.00000
524 0.0146 0.00000
525 -0.0181 0.00000
526 0.0221 0.00000
527 0.0651 0.00000
528 -0.2294 0.00000
529 0.0255 0.00000
530 -0.0154 0.00000
531 0.0491 0.00000
532 -0.0571 0.00000
533 0.0100 0.00000
534 -0.0095 0.00000
535 -0.0504 0.00000
536 -0.0157 0.00000
537 -0.0205 0.00000
538 0.0184 0.00000
539 -0.1803 0.00000
540 0.1038 0.00000
541 -0.0457 0.00000
542 0.0120 0.00000
543 -0.0165 0.00000
544 -0.0319 0.00000
545 -0.0325 0.00000
546 0.0146 0.00000
547 -0.0099 0.00000
548 0.0164 0.00000
549 0.0021 0.00000
550 0.0472 0.00000
551 0.0526 0.00000
552 0.0381 0.00000
553 0.0406 0.00000
554 0.0390 0.00000
555 0.1067 0.00000
556 0.0040 0.00000
557 0.0216 0.00000
558 0.0821 0.00000
559 0.0094 0.00000
560 0.2289 0.00000
561 0.2004 0.00000
562 0.0459 0.00000
563 0.1022 0.00000
564 0.0880 0.00000
565 0.0528 0.00000
566 0.0533 0.00000
567 0.0211 0.00000
568 -0.0021 0.00000
569 0.0607 0.00000
570 0.0576 0.00000
571 0.0047 0.00000
572 0.0387 0.00000
573 0.0306 0.00000
574 0.1188 0.00000
575 -0.0493 0.00000
576 0.0209 0.00000
577 0.0440 0.00000
578 -0.0534 0.00000
579 0.0890 0.00000
580 0.1511 0.00000
581 0.0032 0.00000
582 -0.0328 0.00000
583 0.0950 0.00000
584 0.1788 0.00000
585 -0.0358 0.00000
586 -0.0295 0.00000
587 0.0771 0.00000
588 -0.0416 0.00000
589 0.0728 0.00000
590 -0.0264 0.00000
591 -0.0169 0.00000
592 0.0002 0.00000
593 0.0084 0.00000
594 -0.0117 0.00000
595 -0.0109 0.00000
596 -0.0203 0.00000
597 -0.0297 0.00000
598 0.0349 0.00000
599 0.0687 0.00000
600 -0.0902 0.00000
601 -0.1922 0.00000
602 -0.0805 0.00000
603 -0.0193 0.00000
604 -0.0198 0.00000
605 0.0919 0.00000
606 0.1070 0.00000
607 0.0095 0.00000
608 0.0850 0.00000
609 -0.0057 0.00000
610 0.0179 0.00000
611 -0.0006 0.00000
612 -0.0194 0.00000
613 -0.0367 0.00000
614 0.1496 0.00000
615 0.0768 0.00000
616 0.0263 0.00000
617 0.0636 0.00000
618 -0.0642 0.00000
619 0.0197 0.00000
620 -0.0060 0.00000
621 0.0752 0.00000
622 0.0038 0.00000
623 -0.0189 0.00000
624 0.2180 0.00000
625 0.0338 0.00000
626 0.0332 0.00000
627 -0.0429 0.00000
628 0.0520 0.00000
629 0.0250 0.00000
630 0.0436 0.00000
631 0.0669 0.00000
632 0.3226 0.00000
633 0.0294 0.00000
634 0.0174 0.00000
635 0.0623 0.00000
636 0.0349 0.00000
637 0.0361 0.00000
638 -0.0309 0.00000
639 0.0317 0.00000
640 -0.0407 0.00000
641 0.0128 0.00000
642 0.1136 0.00000
643 0.1318 0.00000
644 -0.0416 0.00000
645 0.0091 0.00000
646 0.0641 0.00000
647 -0.0165 0.00000
648 0.0331 0.00000
649 0.0199 0.00000
650 0.1545 0.00000
651 -0.0175 0.00000
652 0.0024 0.00000
653 -0.0032 0.00000
654 0.0199 0.00000
655 -0.0237 0.00000
656 0.0197 0.00000
657 0.1399 0.00000
658 0.0168 0.00000
659 0.0154 0.00000
660 0.0896 0.00000
661 -0.0143 0.00000
662 0.0701 0.00000
663 0.1122 0.00000
664 -0.0525 0.00000
665 0.0150 0.00000
666 -0.0191 0.00000
667 0.0517 0.00000
668 0.0070 0.00000
669 0.0452 0.00000
670 0.0674 0.00000
671 0.0933 0.00000
672 0.0496 0.00000
673 0.0473 0.00000
674 0.0194 0.00000
675 0.0363 0.00000
676 0.0265 0.00000
677 0.1283 0.00000
678 0.0083 0.00000
679 0.0072 0.00000
680 0.0229 0.00000
681 0.0169 0.00000
682 0.0103 0.00000
683 0.0047 0.00000
684 -0.0055 0.00000
685 -0.0889 0.00000
686 0.0295 0.00000
687 0.0556 0.00000
688 0.0215 0.00000
689 -0.0052 0.00000
690 0.0347 0.00000
691 0.0714 0.00000
692 -0.0108 0.00000
693 0.0457 0.00000
694 -0.0232 0.00000
695 0.0112 0.00000
696 -0.0012 0.00000
697 0.0508 0.00000
698 0.0842 0.00000
699 0.0419 0.00000
700 -0.0060 0.00000
701 -0.0459 0.00000
702 -0.0035 0.00000
703 0.0778 0.00000
704 0.0196 0.00000
705 0.0351 0.00000
706 -0.0723 0.00000
707 0.0148 0.00000
708 -0.0329 0.00000
709 0.0020 0.00000
710 0.0585 0.00000
711 -0.0164 0.00000
712 -0.0147 0.00000
713 -0.0342 0.00000
714 -0.0150 0.00000
715 0.0127 0.00000
716 0.0069 0.00000
717 -0.0129 0.00000
718 0.0198 0.00000
719 -0.0315 0.00000
720 -0.0194 0.00000
721 -0.0039 0.00000
722 -0.0125 0.00000
723 -0.0442 0.00000
724 0.0049 0.00000
725 0.0031 0.00000
726 0.0520 0.00000
727 0.0026 0.00000
728 -0.0192 0.00000
729 0.0103 0.00000
730 0.0014 0.00000
731 -0.0758 0.00000
732 0.0105 0.00000
733 0.0320 0.00000
734 0.0036 0.00000
735 0.0535 0.00000
736 0.0890 0.00000
737 -0.0188 0.00000
738 -0.0142 0.00000
739 -0.0123 0.00000
740 -0.0244 0.00000
741 0.0076 0.00000
742 0.0130 0.00000
743 -0.0120 0.00000
744 0.0012 0.00000
745 0.0394 0.00000
746 0.0486 0.00000
747 0.0398 0.00000
748 0.0441 0.00000
749 0.0297 0.00000
750 0.0148 0.00000
751 0.0027 0.00000
752 -0.0406 0.00000
753 0.0231 0.00000
754 -0.0127 0.00000
755 0.0025 0.00000
756 -0.0043 0.00000
757 -0.0223 0.00000
758 -0.0027 0.00000
759 -0.0149 0.00000
760 0.0013 0.00000
761 0.0067 0.00000
762 0.0314 0.00000
763 -0.0419 0.00000
764 0.0064 0.00000
765 -0.0223 0.00000
766 0.0657 0.00000
767 0.0237 0.00000
768 0.0136 0.00000
769 0.0010 0.00000
770 -0.0022 0.00000
771 0.0188 0.00000
772 -0.0208 0.00000
773 -0.0496 0.00000
774 0.0087 0.00000
775 0.0178 0.00000
776 0.0634 0.00000
777 0.0210 0.00000
778 -0.0058 0.00000
779 -0.0225 0.00000
780 0.0219 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 5 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
-5.19545 1.34001 -3.16287
1.34013 -7.90194 10.12169
-3.16331 10.12180 25.86952
POSITION FORCE-CONSTANT FOR ION 5 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.014144 0.045986 0.226156
4.30302 2.15352 7.05746 -1.623856 0.392964 0.740819
1.30883 4.06731 2.03161 0.021970 -0.030642 0.389635
3.96992 4.32885 4.13194 -0.164227 -0.159923 0.363418
1.29275 3.05683 8.10201 1.834897 0.989367 -35.350629
3.79636 1.47547 14.70421 0.010429 -0.205220 0.249672
1.24643 4.63551 10.86193 0.258408 3.679704 4.164461
3.89005 4.20092 12.88287 0.834423 -0.210823 0.779635
1.04482 6.69020 17.44020 0.012089 -0.092445 0.235573
3.77370 7.04599 6.61024 -0.009923 -0.306610 -0.309829
0.71312 9.21049 2.53845 0.001124 -0.012935 0.077108
3.86880 9.70388 4.59023 -0.005772 -0.076877 0.043555
1.19399 7.29663 8.75952 -0.008239 0.675979 -1.490738
4.14925 6.52609 15.71477 0.109438 0.132163 0.206737
1.16791 10.19708 10.50563 0.009954 0.232187 0.049339
3.90202 11.30466 11.97145 0.065566 0.034213 0.015331
1.41963 13.48240 16.88000 0.004471 0.030907 0.091795
3.89470 12.50036 6.39588 0.010845 0.030267 -0.069738
1.24092 15.65995 2.03746 -0.049337 0.032064 0.133497
3.45676 13.88732 3.60018 -0.014494 0.046454 0.019877
1.37686 12.90671 8.69683 -0.012484 0.068757 -0.137149
4.20896 12.98001 14.89140 -0.000369 0.001249 0.059421
1.28271 15.54574 11.35729 0.025477 -0.127863 0.082552
4.02704 16.14416 13.12883 0.078488 -0.075407 -0.019803
8.51844 2.13686 0.32759 -0.017549 0.006756 0.066341
10.42520 1.68659 6.72748 -0.004464 0.021527 0.013054
6.89192 4.41938 2.41726 -0.149549 -0.042053 0.170260
10.22536 4.35381 4.16682 -0.010899 -0.033342 0.006038
7.19238 2.15284 8.75827 -0.278552 -0.020444 -0.340690
10.67141 2.29852 15.08728 -0.015290 -0.030956 0.056799
7.24075 4.59797 11.01224 0.155969 -0.063567 -0.253120
10.30176 4.56419 12.61212 0.001493 -0.009214 0.044600
6.40057 6.85176 0.36515 0.065309 -0.011940 0.149479
9.75325 6.62606 6.90745 0.000720 -0.018372 -0.033922
6.24007 9.67823 1.67645 -0.002375 0.005362 0.057326
6.65558 7.06042 8.79421 -0.031703 -0.005287 -0.139879
11.80692 6.94639 14.05727 -0.031746 0.023141 0.045422
6.39955 9.97659 10.34026 0.039580 0.010146 -0.056214
11.03265 10.16848 13.84914 -0.012729 0.029505 0.019061
6.77345 12.10505 16.99256 0.014613 0.005059 0.052367
10.32223 13.09442 6.99099 0.000227 0.021796 -0.025470
10.59365 15.96480 4.77521 -0.006901 0.030281 0.008733
6.94250 12.79247 7.88185 -0.004819 0.026908 -0.035240
10.18654 12.31147 16.08279 0.000770 0.016497 0.028600
7.13888 17.01345 11.20310 0.054623 0.011936 -0.099393
10.37682 0.23169 12.64835 -0.010655 -0.018891 -0.007078
13.24904 1.54346 17.14370 -0.066919 -0.011901 0.136956
15.89410 1.64185 6.44545 0.908583 0.545549 0.589334
12.98857 4.28042 2.14546 0.044547 0.009092 0.132670
15.96785 4.32998 4.48967 0.227530 -0.267699 0.342480
13.27097 1.52537 8.57426 0.225489 -0.126013 -0.429625
16.03461 1.53130 15.21659 -0.091781 -0.219437 0.251681
13.37701 3.97590 10.80799 -0.206210 -0.050161 -0.226566
16.23421 4.17555 13.11475 -0.882470 -0.125418 0.858666
13.12188 6.75851 16.83328 -0.023746 -0.042457 0.101882
16.15350 6.82329 6.57280 0.091631 -0.394590 -0.296933
13.80451 11.28726 3.11364 0.015483 -0.003438 0.038543
16.01530 9.31599 4.57229 0.004660 -0.056009 0.030675
16.24774 6.95131 14.97400 0.016089 0.226647 0.246719
13.37358 11.10317 11.33384 -0.047818 0.050348 -0.034869
16.26481 10.28310 12.82929 -0.058014 0.086633 -0.001304
13.02958 12.87265 0.34345 -0.001906 0.028210 0.068357
15.63587 13.81058 6.90598 0.015172 0.077848 -0.093539
13.11026 15.86276 1.91698 0.033719 0.008827 0.079803
16.04847 15.98249 4.25314 0.018323 0.210908 0.082380
12.92950 13.50280 9.01948 0.009387 0.028756 -0.067874
16.03470 13.24150 15.21399 -0.008126 0.002664 0.069257
13.00717 16.52927 10.76204 -0.011014 0.037862 -0.096179
15.92967 15.85673 13.13419 -0.064018 -0.083215 -0.000489
1.86054 17.36365 1.29865 0.009902 0.010044 -0.038490
4.17830 2.73136 5.21241 0.057990 -0.006204 -0.112014
3.26426 5.75851 5.24301 0.012826 0.106865 0.009291
17.49829 1.67854 7.58538 0.804255 0.911045 3.441757
1.16532 17.05709 10.27678 0.006032 0.059309 -0.083835
3.43296 5.28736 14.40974 -0.121232 -0.079819 -0.212220
5.78979 4.58179 12.35127 -0.107781 0.028251 -0.010703
2.66622 1.96025 16.18884 0.029693 0.023183 -0.094190
17.32027 0.89679 16.51550 -0.000477 0.014285 -0.062221
0.46199 8.18893 0.93413 0.005853 -0.006032 -0.046691
5.39231 10.11127 3.40660 0.003938 0.007849 -0.009140
2.32066 9.80687 3.44943 -0.001424 0.005006 -0.012282
4.91964 7.92130 14.71679 -0.009702 -0.037034 -0.026859
2.68710 7.23238 16.69438 0.002538 -0.020622 -0.067065
0.01020 10.88204 2.02154 0.000898 -0.000572 -0.009308
4.21835 0.28129 6.98759 0.107046 -0.100346 -0.108118
17.23783 13.81793 8.03064 0.033494 -0.019550 0.039958
4.79582 14.66186 14.12172 -0.007534 0.012409 -0.003756
1.82404 14.00413 10.26937 -0.001877 0.042079 0.017025
5.26768 16.92854 11.79676 -0.044413 -0.011134 0.032862
10.96027 2.96124 5.34122 -0.004376 0.006832 0.001779
6.97457 3.04582 1.08259 0.026346 -0.013563 -0.037845
10.16898 6.05361 5.08582 -0.000248 0.015127 0.016709
8.34039 4.05066 3.68939 0.028755 0.007485 -0.010206
8.74489 2.42632 7.55292 0.048643 -0.007218 0.025948
7.18775 0.35634 9.46384 0.014879 -0.032175 0.077338
11.47395 4.04892 11.19556 0.016241 -0.004779 0.033846
9.15080 2.77757 16.12393 0.013503 0.001135 -0.019457
7.98734 0.36277 0.04247 0.006682 -0.003548 -0.004981
8.09306 7.37877 7.53063 0.007325 0.007989 0.026849
5.20414 6.37683 7.73407 0.058601 0.054019 0.098375
12.25313 11.32613 12.87115 0.008413 -0.007565 0.003171
7.88582 9.71337 11.41294 -0.002988 -0.000221 0.012958
7.90588 7.26091 16.85699 -0.008694 0.000964 -0.016181
11.07224 14.64349 6.08452 -0.002607 -0.014429 0.012706
9.97410 0.03402 5.82220 0.006555 -0.012360 -0.003787
11.77786 16.49122 3.26041 -0.000036 0.001170 -0.011127
6.65717 11.67689 9.40508 -0.006849 -0.017491 0.026104
7.76961 15.24886 11.07941 -0.010734 -0.004984 0.031221
8.52712 0.41686 12.29829 -0.002845 0.001469 0.023682
13.11181 17.12784 0.26607 0.003165 0.007190 -0.025404
13.20693 2.50512 1.34897 0.002863 -0.010295 -0.044240
17.29335 3.71694 3.19979 -0.007546 -0.007429 -0.106572
14.20035 4.69758 3.69278 -0.067788 0.028240 -0.070582
14.59997 3.56179 12.23787 0.159382 0.019716 -0.036179
13.57708 5.48481 0.72232 -0.003100 0.026166 -0.062589
12.29749 8.18631 0.22048 0.010700 0.010347 -0.014694
16.86596 10.59176 5.62457 0.004058 0.007775 0.004306
16.66958 8.43890 13.63905 0.017711 -0.048526 -0.003668
16.67265 11.67449 14.15979 0.010193 -0.029495 -0.014329
14.70756 7.45696 15.98014 0.019754 -0.005378 -0.052063
16.06899 0.34084 4.92526 0.015702 -0.097805 -0.081967
14.63768 15.41566 3.05858 -0.012830 -0.021987 -0.028600
12.21694 15.07373 9.87203 0.002814 -0.006429 0.025266
15.65466 0.14914 13.86557 0.016134 0.052253 0.000860
14.35754 15.71932 11.91759 0.020042 0.003359 0.028823
14.30081 12.83268 16.21967 0.011641 -0.002278 -0.017344
8.77223 10.39607 2.47225 0.000778 0.000781 0.006085
12.91187 8.54216 10.48161 -0.012261 0.014749 -0.003951
8.49467 15.82840 2.99445 -0.000644 0.002381 0.008924
1.32045 2.68577 1.08043 0.019690 -0.133173 -0.199598
5.44581 4.42337 3.31859 0.227074 0.037980 -0.183867
2.71895 4.15019 2.95898 -0.068360 0.032437 -0.192307
2.89361 2.63574 7.84048 -1.193786 0.203073 3.040327
3.72928 2.61904 13.46082 -0.109807 0.244371 -0.284473
1.12195 3.42722 9.72736 -1.146840 2.853291 17.874349
2.69176 4.49808 11.70258 -1.218504 -0.298343 -1.335293
1.13271 5.33613 0.95032 -0.004480 0.152691 -0.199797
4.03043 8.42197 5.67301 0.011342 0.125098 0.010751
3.75157 11.03623 5.64253 -0.002061 0.019704 0.019440
2.52170 7.25791 7.75547 -0.219403 0.088135 0.443778
17.39856 7.13193 7.68295 0.172117 0.159574 0.434605
1.18188 6.06412 9.94036 -0.024132 -2.194088 0.904829
1.18202 8.73358 9.65531 -0.002446 -0.364629 0.048457
3.91098 11.84592 13.59643 -0.009926 -0.017366 -0.020399
5.12928 10.31683 11.41789 -0.044851 -0.002269 0.033903
2.50977 10.51875 11.46580 -0.048524 -0.054548 -0.014950
17.45087 6.59897 16.12377 -0.062819 -0.015890 -0.149230
3.55980 13.67281 5.25157 0.004600 -0.035795 0.023762
1.28803 14.62748 0.64715 0.006657 -0.050765 -0.077708
4.98905 14.24610 3.11864 0.008729 -0.012764 -0.009295
2.40264 15.06164 3.08512 0.006020 -0.020655 -0.029817
2.72172 12.72875 7.62075 -0.038473 -0.009260 0.070790
1.06333 11.39589 9.35618 0.003243 -0.121747 0.081778
3.61212 17.43666 14.11103 -0.028010 0.096767 0.001012
2.61877 15.69429 12.36150 -0.035770 0.034045 -0.006635
2.80206 13.36593 15.83914 0.023552 -0.003634 -0.033784
17.47316 13.58140 16.05649 -0.030797 -0.008762 -0.040298
9.77890 2.08644 1.42003 -0.005076 -0.006725 -0.026963
11.39452 4.37239 2.86549 -0.017977 0.001129 -0.025834
5.75314 2.47184 7.89843 0.655082 -0.026267 0.253473
10.58974 3.42804 13.84178 0.008690 0.032592 -0.040773
7.29963 3.26088 10.01774 -0.005009 0.148414 0.215179
10.61644 6.04073 13.30213 0.006251 -0.003139 -0.009140
8.72282 4.57356 11.93667 -0.054698 0.010178 0.023914
6.87268 5.85394 1.60201 -0.000121 0.075787 -0.099882
10.69996 7.99849 7.09252 0.008136 0.007486 0.018620
5.73707 8.23825 1.01832 -0.003355 -0.017424 -0.039159
10.63831 11.82289 5.95914 0.000189 -0.005019 0.008403
12.27791 10.92294 3.59234 -0.003110 -0.001295 -0.003121
7.82470 9.40720 2.06031 -0.000991 -0.000105 -0.009231
7.06519 5.95381 10.03323 -0.007179 -0.063396 0.137456
11.49637 8.56646 14.11248 0.015750 -0.031171 -0.004867
6.22218 8.54831 9.46647 -0.012145 0.031393 0.055733
10.64255 10.88430 15.28736 0.006870 -0.019070 -0.017776
5.27533 6.08183 16.89617 -0.093277 -0.018283 -0.128004
6.19392 10.87447 0.49133 0.001984 0.011057 -0.028278
6.63594 13.50144 0.40946 0.002282 -0.011914 -0.018299
9.20318 15.33527 4.12194 -0.001275 -0.009116 -0.003976
8.65369 12.87516 7.41323 -0.011446 -0.011256 0.016897
5.50203 12.61795 6.94111 0.016672 -0.010432 0.028158
10.10713 13.64215 15.27789 0.000554 -0.004440 -0.005078
10.67911 0.87544 14.08625 0.007715 0.010714 0.002682
11.60356 17.20368 11.75834 -0.005983 0.008458 0.027348
8.39118 11.91622 16.60701 0.004365 -0.002994 -0.008064
5.50451 12.34914 15.80657 -0.025751 0.006340 -0.029632
15.73327 3.04046 5.55542 -0.261469 0.130310 -0.311717
16.46394 5.60663 5.46979 -0.153011 0.240843 0.009916
14.52808 1.45286 7.47168 -0.514775 -0.001718 0.233057
11.79275 1.56088 7.78873 -0.046282 0.012639 0.055644
13.32704 0.21681 9.64565 -0.026935 -0.046846 0.133352
16.41790 2.90736 14.26355 0.123954 0.260375 -0.285994
13.45171 2.82808 9.57211 0.039186 0.171258 0.237668
16.10069 5.57752 13.99343 0.137486 -0.287476 -0.310236
0.00005 4.40711 11.99025 0.983421 -0.195008 -1.409424
14.62884 1.73967 16.17160 0.113154 0.025103 -0.122595
11.98368 2.03831 16.06725 -0.005006 0.013160 -0.040867
15.63239 8.11986 5.68103 -0.006424 0.085597 0.019928
17.11138 8.55854 3.60414 0.008287 0.030047 -0.027860
14.79559 9.98222 3.60061 -0.013546 0.014783 -0.011806
14.83832 6.40254 7.47085 -0.047606 0.039663 0.112808
10.26118 5.42988 7.96507 0.022649 0.006027 0.010722
13.84142 5.42996 10.14226 0.054928 -0.026421 0.073887
12.90067 9.94534 10.26834 0.008236 -0.027041 0.015125
17.40760 10.25314 11.57387 0.020172 -0.048390 -0.012648
14.84553 10.65634 12.01294 0.059192 -0.033888 0.031540
12.09160 6.31793 15.56215 0.005417 0.002268 -0.046067
13.66330 11.76838 1.50243 -0.007260 0.005938 -0.033577
15.90808 14.97969 5.66759 -0.024642 -0.118375 0.068082
12.90234 14.38066 1.10662 -0.006994 -0.040450 -0.042499
17.39979 15.79595 3.12260 0.055367 -0.047802 -0.091109
14.24465 13.87010 7.98683 -0.031146 -0.017183 0.048461
11.50975 12.98027 8.22780 0.014867 -0.005324 0.032017
13.37751 12.44417 10.26044 0.011918 -0.041153 0.051628
15.76289 14.59733 14.23402 0.015318 0.040173 -0.027245
17.35248 15.55367 12.27553 0.043675 0.039827 -0.021294
11.51892 12.39014 17.28946 -0.007706 -0.007654 -0.016853
2.14782 0.44560 2.19550 -0.011623 0.001303 -0.002820
3.29477 2.11300 4.94555 -0.012233 0.072294 0.090325
2.45654 5.15830 5.71352 -0.010674 -0.094790 0.106688
17.13665 1.28635 8.55333 -1.077446 -1.431562 -0.201324
2.05496 17.16622 9.63831 0.005660 -0.036590 -0.023493
2.76007 4.61458 14.97268 0.000815 -0.004700 0.010244
5.82104 5.64963 12.65472 -0.011584 -0.001438 0.008211
1.99867 2.73895 15.76239 -0.003540 0.008777 0.016479
16.62702 0.41219 17.23014 0.001493 0.014367 0.001170
0.53299 8.97932 0.15968 -0.004689 0.011603 0.002063
6.28070 9.99466 4.05905 -0.000729 -0.002027 0.002506
2.80484 10.34140 2.60493 -0.000562 0.007704 0.004470
5.85876 7.59725 14.24081 0.004451 0.006954 0.003171
2.33378 8.07412 16.06384 0.005805 0.006383 0.001139
0.72196 11.42800 1.39191 -0.000421 0.001811 0.006163
4.17641 17.36384 8.00554 0.012065 0.008456 0.016105
0.17664 14.81238 7.80592 -0.003787 0.001250 -0.005843
5.28314 15.15948 14.98492 0.000002 -0.002471 0.005291
1.99589 13.21868 11.02572 -0.004621 0.016239 0.019654
4.90269 16.46159 10.85427 0.006234 0.005611 0.004426
11.44760 2.27402 4.62061 0.004631 0.004636 0.006228
6.42001 2.18281 1.50214 0.001072 0.008448 0.010266
11.20298 6.44871 5.00937 0.001967 -0.000365 0.004629
8.23943 2.94593 3.71752 -0.003142 0.004487 0.006752
9.07830 3.43667 7.86385 0.006623 -0.001764 -0.002546
8.13841 17.45818 9.05432 0.003527 -0.005531 0.014187
11.09062 4.59939 10.31069 0.013583 0.000790 -0.002635
8.29143 2.75175 15.42638 -0.000280 -0.001614 0.001802
8.82941 17.22992 17.22214 -0.000645 -0.002721 0.003294
7.50840 7.62286 6.62087 -0.003521 -0.005980 0.008381
4.60511 5.74329 8.41778 0.009425 -0.018097 -0.034768
12.92668 11.75537 13.63632 -0.001606 0.000848 0.006167
8.02117 10.55523 12.10517 0.001082 -0.000186 0.004789
8.67556 7.71636 17.49570 -0.005567 -0.000956 0.006158
11.47875 15.24589 6.91703 0.000569 0.002153 0.000704
9.35972 16.97903 6.56192 -0.003207 0.000941 0.001673
11.03713 17.07922 2.67792 -0.003823 0.000307 0.006741
7.42775 12.08916 10.09180 -0.000300 0.001085 0.005229
7.92017 14.83580 12.09082 0.003029 -0.007006 0.004438
8.50905 1.48718 11.99359 -0.000124 -0.002841 -0.002733
13.83892 16.58967 17.12637 0.000129 -0.006166 0.001573
14.18064 2.16404 1.76300 -0.002337 0.006995 0.008205
0.22637 2.85420 3.74771 0.004215 0.057787 0.044332
13.55731 4.46328 4.56374 0.005356 -0.006167 -0.002966
13.93368 3.48067 13.12140 0.046525 0.020758 0.010466
14.29477 4.78199 0.25086 0.003358 0.001252 0.009196
12.05112 9.01860 17.04503 -0.002414 0.004670 0.006328
16.27694 10.80430 6.52497 -0.002999 0.002185 0.001038
16.72250 7.84092 12.70809 -0.003253 0.010834 -0.011493
0.08131 12.14367 13.72814 0.001636 -0.003931 0.002606
15.18747 8.06134 16.77823 0.008160 -0.010859 -0.000724
15.33129 0.80027 4.23469 -0.008366 0.004972 0.005696
15.22283 14.74953 2.39790 -0.005504 -0.007905 0.000476
11.52991 14.60593 10.60396 -0.003191 -0.000602 0.004466
14.54913 0.08259 13.94141 0.005901 0.001767 0.001500
13.64918 15.17179 12.57877 0.004791 0.000141 0.007226
14.26990 11.73639 16.04700 0.000044 -0.001020 0.002287
2.83011 17.00291 0.89614 0.004906 -0.001005 0.004178
5.01762 2.19884 4.72481 0.042029 -0.004401 -0.005966
2.72197 6.40768 4.52960 0.016570 0.028407 -0.007155
0.61592 0.85326 7.17988 0.359666 0.534879 0.204461
1.05804 0.47662 10.87149 -0.033095 -0.062117 0.122578
2.72869 6.02833 13.97220 -0.014118 0.031875 0.034654
6.27365 4.07474 13.21275 -0.045349 -0.015054 0.005316
3.39789 2.54642 16.78232 -0.002840 -0.003624 0.008269
0.26647 0.03376 15.97352 -0.005527 -0.003825 0.001475
16.86896 8.04953 1.06168 0.002821 -0.004618 0.005610
5.26691 11.21282 3.35522 0.001712 0.001758 0.002361
1.79651 10.63408 3.97172 -0.001615 0.002789 -0.000174
4.24367 8.25477 13.91418 0.001231 0.012145 -0.000659
3.20146 7.72932 0.04071 0.006895 -0.015529 -0.003098
17.29565 11.52683 2.88643 0.001139 -0.002832 0.002106
5.09458 17.34903 6.48077 0.020253 -0.057404 0.001353
16.80060 13.95067 9.04167 -0.005057 0.001592 0.007577
5.65314 14.35380 13.49055 -0.000582 0.005043 0.001719
2.85103 14.37043 10.06567 0.001265 -0.002489 0.000169
4.88020 0.46410 11.72901 0.011576 0.000308 -0.003290
11.82432 3.49932 5.78478 0.005558 -0.005740 0.000083
6.33916 3.40343 0.25044 -0.002254 0.000149 0.003660
9.59394 6.71839 4.41200 -0.002080 0.000241 0.005768
7.91802 4.38505 4.66043 -0.007618 -0.003426 -0.004262
8.23543 2.62518 6.58554 -0.013809 -0.007768 0.020497
6.41431 17.32071 8.88054 -0.006797 0.020312 -0.004520
11.14557 3.00954 10.98712 0.006565 0.006205 0.000916
9.36027 3.86210 16.23230 0.000132 0.000529 0.007422
7.53966 17.41529 0.94072 0.001320 0.004616 0.003560
8.48774 8.36338 7.84778 0.001412 0.003133 0.001951
5.72768 5.64505 7.08615 -0.027539 -0.000249 0.011804
11.53162 12.14308 12.66419 0.001637 -0.001364 0.002324
7.77778 8.79967 12.01567 0.003358 -0.000778 0.005842
7.67148 7.97660 16.05599 0.005666 0.004828 0.001294
11.96712 14.11387 5.69832 0.001217 -0.000042 0.004966
9.20674 0.45352 5.13285 -0.001154 -0.001571 0.007756
12.42086 17.27854 3.71166 0.001753 -0.004751 0.003859
5.72984 12.20671 9.71226 0.002524 0.001663 0.002323
7.06651 14.59485 10.54611 0.000669 0.001436 0.000746
8.18003 0.43236 13.34917 0.006243 0.000753 0.009678
12.13433 16.79403 17.35819 -0.000101 0.001944 -0.000379
12.47800 1.85419 1.86970 0.000209 -0.000133 -0.001074
16.61133 3.22326 2.47663 -0.011577 0.000945 -0.016808
14.18380 5.80672 3.64923 -0.011789 0.007676 -0.002610
14.87276 2.50739 12.03337 -0.023046 -0.018080 0.014375
14.23243 6.19147 1.27631 -0.000926 -0.004557 0.009096
12.93327 8.58137 1.02753 -0.001481 -0.001725 0.003457
0.31818 10.15222 5.96061 0.001047 -0.002371 -0.001102
0.23893 8.66414 13.84372 0.000134 0.001005 0.009806
17.08408 11.06555 14.99139 0.001424 0.004903 0.007634
14.24371 8.22849 15.33189 0.003592 0.001874 0.000827
17.03243 0.72423 4.52831 -0.010670 -0.001240 0.037579
14.06257 14.70897 3.69175 -0.006614 -0.002826 -0.000680
11.55248 15.52990 9.11606 0.006342 0.002212 0.005205
15.79992 0.71375 12.92180 -0.018277 -0.010197 -0.012311
14.66771 14.92743 11.20480 0.002280 0.004590 0.004806
13.59723 13.22883 15.45681 -0.001200 -0.000350 0.001801
0.28893 16.96969 9.61776 0.030222 0.041016 -0.011348
5.14861 8.79609 15.34428 -0.006209 -0.012070 0.008080
16.57887 10.76457 1.44815 -0.002722 0.001642 0.004299
3.32280 17.43531 6.45000 0.001163 0.049275 0.019619
7.22345 0.33037 16.74849 -0.000786 -0.002181 0.002630
8.80270 9.61454 10.81195 -0.003349 0.000177 0.002319
8.32656 6.35754 16.39008 0.002076 -0.001528 0.005264
8.73549 15.20213 10.55252 -0.004466 0.006589 0.003178
11.35757 7.84337 0.68199 0.004717 -0.004280 0.002049
17.07689 11.54135 5.11708 0.001316 0.003230 0.006960
1.05898 4.30352 7.32607 1.064951 -5.992311 5.915106
4.03509 12.56543 11.20951 -0.008476 -0.004714 0.004117
2.98241 12.61908 2.99845 0.000742 -0.004789 0.001719
13.02951 6.77394 13.23542 0.008351 -0.004043 -0.003354
9.81405 10.04557 13.02717 0.001533 -0.002951 0.002539
14.38062 12.44509 3.83928 -0.002116 -0.001083 -0.000519
15.29130 12.60070 6.14349 -0.000406 -0.009309 0.015210
1.51212 12.17674 0.04632 -0.001264 -0.002885 -0.005249
5.20365 1.54821 15.21091 -0.011867 0.023562 -0.032431
6.79297 14.20253 8.32851 0.000555 -0.007798 0.010317
11.61515 7.96197 6.76612 -0.000842 -0.002828 -0.003172
10.25461 10.96603 6.21744 -0.000027 -0.000918 0.002013
11.90891 11.26603 4.43245 0.001206 0.001081 0.002983
8.53540 10.78259 3.48001 0.000113 -0.000337 0.001626
9.76681 9.93079 2.50215 -0.000150 -0.000027 0.004845
8.80784 11.23977 1.76494 -0.000165 0.001110 0.004900
14.97448 6.01037 8.35394 -0.009537 0.009708 -0.065928
10.93413 4.83383 7.59381 -0.004676 -0.006904 -0.008360
13.14865 5.92816 9.67432 0.006877 0.002887 -0.011657
12.65000 8.06887 9.52187 0.001317 0.000900 0.002816
13.90414 8.18239 10.79823 0.004030 0.001357 0.005297
12.16474 8.24325 11.23577 0.000073 0.000252 0.005886
5.27827 14.04824 2.20496 -0.005928 0.002765 0.014601
10.20084 2.92381 1.69633 0.001766 0.005935 0.015381
7.46833 14.00510 0.41146 0.000737 0.002735 0.009391
7.48179 15.39929 3.01468 -0.000971 0.002743 0.006150
8.41010 16.93048 3.00754 -0.001894 -0.002301 0.005772
8.99741 15.53505 2.05618 0.003752 -0.001802 0.001450
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 5 DIRECTION 3 : -0.168 0.575 2.709
rigid augmentation : 0.000 0.000 0.200
ionic contribution : 0.000 0.000 4.000
Berry contribution : -0.168 0.575 -1.490
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 16/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 19( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258973; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01055126
-V(xc)+E(xc) XCENC = 0.02292860
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02221568
---------------------------------------------------
free energy TOTEN = -0.00983834 eV
energy without entropy = -0.00983834
----------------------------------------- Iteration 19( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258973; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.66913E+00 rms(broyden)= 0.66824E+00
rms(prec ) = 0.74092E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01055126
-V(xc)+E(xc) XCENC = 0.02292860
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01247435
---------------------------------------------------
free energy TOTEN = -0.00009702 eV
energy without entropy = -0.00009702
----------------------------------------- Iteration 19( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258911; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258993; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.41595E+00 rms(broyden)= 0.41586E+00
rms(prec ) = 0.46550E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4170
2.4170
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00948056
-V(xc)+E(xc) XCENC = 0.01877650
PAW double counting = 0.00192409 -0.00192553
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01289204
---------------------------------------------------
free energy TOTEN = -0.00359754 eV
energy without entropy = -0.00359754
----------------------------------------- Iteration 19( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258866; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259038; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.82153E-01 rms(broyden)= 0.82050E-01
rms(prec ) = 0.10387E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0018
1.3965 2.6071
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00828537
-V(xc)+E(xc) XCENC = 0.01564321
PAW double counting = 0.01109601 -0.01110517
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01356610
---------------------------------------------------
free energy TOTEN = -0.00621742 eV
energy without entropy = -0.00621742
----------------------------------------- Iteration 19( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258852; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259053; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.33963E-01 rms(broyden)= 0.33925E-01
rms(prec ) = 0.47611E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8383
2.8775 0.9898 1.6475
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00812920
-V(xc)+E(xc) XCENC = 0.01555029
PAW double counting = 0.01210443 -0.01211444
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01370479
---------------------------------------------------
free energy TOTEN = -0.00629371 eV
energy without entropy = -0.00629371
----------------------------------------- Iteration 19( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258839; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259065; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.17991E-01 rms(broyden)= 0.17981E-01
rms(prec ) = 0.26596E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8794
3.0086 2.1850 0.9517 1.3722
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00809583
-V(xc)+E(xc) XCENC = 0.01561847
PAW double counting = 0.01264142 -0.01265181
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373597
---------------------------------------------------
free energy TOTEN = -0.00622372 eV
energy without entropy = -0.00622372
----------------------------------------- Iteration 19( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258827; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259077; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.78414E-02 rms(broyden)= 0.78358E-02
rms(prec ) = 0.12391E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9095
3.2923 2.5932 1.6796 0.9911 0.9911
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00810374
-V(xc)+E(xc) XCENC = 0.01571958
PAW double counting = 0.01260526 -0.01261545
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373068
---------------------------------------------------
free energy TOTEN = -0.00612504 eV
energy without entropy = -0.00612504
----------------------------------------- Iteration 19( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258819; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259085; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.38939E-02 rms(broyden)= 0.38900E-02
rms(prec ) = 0.60468E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9675
3.7708 2.7837 2.0170 1.3331 0.9501 0.9501
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00809898
-V(xc)+E(xc) XCENC = 0.01575632
PAW double counting = 0.01259894 -0.01260905
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373375
---------------------------------------------------
free energy TOTEN = -0.00608653 eV
energy without entropy = -0.00608653
----------------------------------------- Iteration 19( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258814; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259090; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.19692E-02 rms(broyden)= 0.19661E-02
rms(prec ) = 0.27889E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9877
3.9552 2.9123 2.2932 1.5015 1.2785 0.9040 1.0691
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00808949
-V(xc)+E(xc) XCENC = 0.01575714
PAW double counting = 0.01259797 -0.01260809
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373754
---------------------------------------------------
free energy TOTEN = -0.00608000 eV
energy without entropy = -0.00608000
----------------------------------------- Iteration 19( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258812; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259093; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.77323E-03 rms(broyden)= 0.77177E-03
rms(prec ) = 0.11802E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9920
4.6156 2.8680 2.6281 1.7865 1.1859 0.9935 0.9935 0.8646
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00808766
-V(xc)+E(xc) XCENC = 0.01575274
PAW double counting = 0.01260384 -0.01261395
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373695
---------------------------------------------------
free energy TOTEN = -0.00608199 eV
energy without entropy = -0.00608199
----------------------------------------- Iteration 19( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258810; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259094; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.44741E-03 rms(broyden)= 0.44691E-03
rms(prec ) = 0.66702E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0112
4.8796 2.9735 2.7018 2.0036 1.3603 1.3603 1.0159 0.9635 0.8426
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00808679
-V(xc)+E(xc) XCENC = 0.01575218
PAW double counting = 0.01260864 -0.01261876
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373644
---------------------------------------------------
free energy TOTEN = -0.00608115 eV
energy without entropy = -0.00608115
----------------------------------------- Iteration 19( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258810; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259094; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.19745E-03 rms(broyden)= 0.19718E-03
rms(prec ) = 0.30112E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0177
4.9683 3.5056 2.7272 2.2651 1.6743 1.1414 1.1414 0.9975 0.9452 0.8115
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00808751
-V(xc)+E(xc) XCENC = 0.01575276
PAW double counting = 0.01260504 -0.01261517
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373584
---------------------------------------------------
free energy TOTEN = -0.00608072 eV
energy without entropy = -0.00608072
----------------------------------------- Iteration 19( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258810; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259095; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.97290E-04 rms(broyden)= 0.97150E-04
rms(prec ) = 0.14073E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0352
5.2702 3.6194 2.7876 2.4333 1.8183 1.5286 1.0914 1.0914 0.9964 0.9441
0.8070
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00808791
-V(xc)+E(xc) XCENC = 0.01575263
PAW double counting = 0.01260488 -0.01261502
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373684
---------------------------------------------------
free energy TOTEN = -0.00608226 eV
energy without entropy = -0.00608226
----------------------------------------- Iteration 19( 14) ---------------------------------------
BZINTS: Fermi energy: 0.258810; 1190.000000 electrons
Band energy:-0.912005E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259095; 1190.000000 electrons
Band energy:-0.912023E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.44597E-04 rms(broyden)= 0.44541E-04
rms(prec ) = 0.65829E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0171
5.2930 3.9045 2.8118 2.6473 2.0339 1.6089 1.0908 1.0908 1.0913 0.9210
0.9210 0.7903
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00808790
-V(xc)+E(xc) XCENC = 0.01575248
PAW double counting = 0.01260528 -0.01261541
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01373565
---------------------------------------------------
free energy TOTEN = -0.00608120 eV
energy without entropy = -0.00608120
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0197 0.00000
5 0.0238 0.00000
6 0.0155 0.00000
7 -0.0056 0.00000
8 0.0141 0.00000
9 0.0383 0.00000
10 0.0307 0.00000
11 -0.0733 0.00000
12 0.0447 0.00000
13 -0.0344 0.00000
14 -0.0554 0.00000
15 -0.0742 0.00000
16 0.1078 0.00000
17 0.0408 0.00000
18 0.0450 0.00000
19 -0.0017 0.00000
20 -0.1311 0.00000
21 -0.0186 0.00000
22 -0.0134 0.00000
23 0.0294 0.00000
24 0.0867 0.00000
25 0.0493 0.00000
26 0.0881 0.00000
27 0.0958 0.00000
28 -0.0067 0.00000
29 -0.0161 0.00000
30 0.0349 0.00000
31 0.0322 0.00000
32 0.0628 0.00000
33 0.0258 0.00000
34 0.0244 0.00000
35 0.0204 0.00000
36 0.0155 0.00000
37 0.0082 0.00000
38 0.0376 0.00000
39 0.0377 0.00000
40 0.0118 0.00000
41 0.0135 0.00000
42 0.0024 0.00000
43 0.0273 0.00000
44 0.0120 0.00000
45 0.0353 0.00000
46 0.0378 0.00000
47 0.0641 0.00000
48 0.0320 0.00000
49 0.0033 0.00000
50 0.0696 0.00000
51 0.0602 0.00000
52 0.0330 0.00000
53 0.0131 0.00000
54 0.0130 0.00000
55 0.0324 0.00000
56 0.0406 0.00000
57 -0.0278 0.00000
58 0.0012 0.00000
59 0.0082 0.00000
60 0.0945 0.00000
61 -0.0229 0.00000
62 0.1052 0.00000
63 0.0530 0.00000
64 0.0317 0.00000
65 0.0280 0.00000
66 0.0003 0.00000
67 0.1865 0.00000
68 0.0047 0.00000
69 0.0277 0.00000
70 0.0274 0.00000
71 0.0501 0.00000
72 0.0354 0.00000
73 0.0229 0.00000
74 0.0104 0.00000
75 0.0234 0.00000
76 0.0803 0.00000
77 0.0587 0.00000
78 0.0304 0.00000
79 0.0778 0.00000
80 -0.0026 0.00000
81 0.0656 0.00000
82 0.1265 0.00000
83 0.0259 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2258 0.00000
89 0.0268 0.00000
90 -0.0557 0.00000
91 -0.2362 0.00000
92 -0.1107 0.00000
93 0.0587 0.00000
94 0.0328 0.00000
95 0.2639 0.00000
96 0.3529 0.00000
97 -0.0253 0.00000
98 0.0555 0.00000
99 0.0300 0.00000
100 0.0195 0.00000
101 0.0010 0.00000
102 0.0753 0.00000
103 0.0465 0.00000
104 0.2043 0.00000
105 0.0303 0.00000
106 0.0351 0.00000
107 0.0082 0.00000
108 0.0839 0.00000
109 0.0100 0.00000
110 0.0094 0.00000
111 0.0015 0.00000
112 0.0754 0.00000
113 0.0369 0.00000
114 -0.0269 0.00000
115 -0.0980 0.00000
116 -0.0402 0.00000
117 -0.0118 0.00000
118 0.2736 0.00000
119 0.0318 0.00000
120 0.1952 0.00000
121 0.1445 0.00000
122 -0.1802 0.00000
123 0.3411 0.00000
124 0.4604 0.00000
125 0.0215 0.00000
126 -0.0202 0.00000
127 0.0033 0.00000
128 -0.0201 0.00000
129 0.3667 0.00000
130 0.0366 0.00000
131 0.0741 0.00000
132 0.0049 0.00000
133 0.0165 0.00000
134 -0.0388 0.00000
135 0.0097 0.00000
136 -0.0956 0.00000
137 -0.0031 0.00000
138 -0.0047 0.00000
139 0.0069 0.00000
140 0.0292 0.00000
141 -0.1611 0.00000
142 0.0227 0.00000
143 0.0238 0.00000
144 0.0362 0.00000
145 0.0302 0.00000
146 0.0250 0.00000
147 0.0151 0.00000
148 -0.0401 0.00000
149 -0.0001 0.00000
150 -0.0411 0.00000
151 0.0345 0.00000
152 -0.0078 0.00000
153 0.0244 0.00000
154 0.0464 0.00000
155 0.0762 0.00000
156 -0.0047 0.00000
157 0.0056 0.00000
158 0.1350 0.00000
159 0.0757 0.00000
160 0.0305 0.00000
161 -0.0012 0.00000
162 0.0306 0.00000
163 0.0157 0.00000
164 0.0177 0.00000
165 0.0159 0.00000
166 0.0251 0.00000
167 0.0314 0.00000
168 -0.0086 0.00000
169 0.0147 0.00000
170 0.0424 0.00000
171 0.0250 0.00000
172 0.0199 0.00000
173 0.0534 0.00000
174 0.0330 0.00000
175 0.0123 0.00000
176 0.0066 0.00000
177 0.0155 0.00000
178 0.0054 0.00000
179 0.0104 0.00000
180 0.0454 0.00000
181 -0.0169 0.00000
182 0.0162 0.00000
183 -0.0123 0.00000
184 0.0724 0.00000
185 -0.1659 0.00000
186 -0.0254 0.00000
187 0.0550 0.00000
188 0.0399 0.00000
189 0.0337 0.00000
190 -0.0097 0.00000
191 0.0252 0.00000
192 0.0321 0.00000
193 0.0367 0.00000
194 0.0246 0.00000
195 0.1587 0.00000
196 0.0303 0.00000
197 0.0695 0.00000
198 0.0243 0.00000
199 -0.0086 0.00000
200 0.0028 0.00000
201 -0.0254 0.00000
202 0.0258 0.00000
203 0.0183 0.00000
204 0.0136 0.00000
205 -0.0356 0.00000
206 0.0178 0.00000
207 -0.0087 0.00000
208 0.0053 0.00000
209 0.0138 0.00000
210 0.0166 0.00000
211 -0.0495 0.00000
212 0.0529 0.00000
213 0.0030 0.00000
214 0.0641 0.00000
215 0.0761 0.00000
216 0.0541 0.00000
217 0.0972 0.00000
218 0.0464 0.00000
219 0.0252 0.00000
220 0.0238 0.00000
221 0.0143 0.00000
222 0.0338 0.00000
223 0.0772 0.00000
224 0.1320 0.00000
225 0.0561 0.00000
226 0.0505 0.00000
227 -0.0101 0.00000
228 0.0130 0.00000
229 0.0335 0.00000
230 0.0559 0.00000
231 -0.2311 0.00000
232 -0.0158 0.00000
233 -0.0207 0.00000
234 -0.0223 0.00000
235 -0.4513 0.00000
236 -0.0722 0.00000
237 -0.0989 0.00000
238 -0.2930 0.00000
239 -0.0197 0.00000
240 -0.2058 0.00000
241 -0.1461 0.00000
242 -0.0147 0.00000
243 -0.0352 0.00000
244 -0.0038 0.00000
245 0.0152 0.00000
246 -0.0277 0.00000
247 -0.0046 0.00000
248 -0.0109 0.00000
249 -0.0466 0.00000
250 -0.0036 0.00000
251 0.0587 0.00000
252 0.0378 0.00000
253 -0.0292 0.00000
254 0.0058 0.00000
255 -0.1393 0.00000
256 0.0011 0.00000
257 0.0304 0.00000
258 0.0491 0.00000
259 -0.0107 0.00000
260 -0.0609 0.00000
261 0.0199 0.00000
262 -0.0155 0.00000
263 -0.0153 0.00000
264 -0.0062 0.00000
265 0.0051 0.00000
266 -0.1635 0.00000
267 0.0308 0.00000
268 -0.0486 0.00000
269 0.0011 0.00000
270 0.0076 0.00000
271 0.0078 0.00000
272 -0.0082 0.00000
273 0.0120 0.00000
274 -0.0279 0.00000
275 0.0093 0.00000
276 0.0080 0.00000
277 -0.0689 0.00000
278 -0.1488 0.00000
279 0.0161 0.00000
280 0.0260 0.00000
281 0.0005 0.00000
282 -0.0761 0.00000
283 0.0043 0.00000
284 0.0040 0.00000
285 0.0281 0.00000
286 -0.0070 0.00000
287 0.0331 0.00000
288 0.0338 0.00000
289 0.1177 0.00000
290 0.0466 0.00000
291 0.0040 0.00000
292 0.0409 0.00000
293 0.0231 0.00000
294 -0.0605 0.00000
295 0.0626 0.00000
296 0.1440 0.00000
297 0.0477 0.00000
298 -0.0005 0.00000
299 0.0732 0.00000
300 0.0363 0.00000
301 0.0333 0.00000
302 0.0638 0.00000
303 0.0071 0.00000
304 0.0780 0.00000
305 0.0236 0.00000
306 0.0969 0.00000
307 -0.0063 0.00000
308 0.0338 0.00000
309 0.0052 0.00000
310 0.0310 0.00000
311 0.0701 0.00000
312 0.0854 0.00000
313 0.0466 0.00000
314 0.0235 0.00000
315 0.0209 0.00000
316 0.0447 0.00000
317 0.0026 0.00000
318 0.0212 0.00000
319 0.0372 0.00000
320 -0.0577 0.00000
321 0.0640 0.00000
322 0.0342 0.00000
323 -0.0295 0.00000
324 0.0055 0.00000
325 0.0260 0.00000
326 -0.0016 0.00000
327 -0.0036 0.00000
328 0.0206 0.00000
329 -0.0216 0.00000
330 0.0089 0.00000
331 -0.0214 0.00000
332 -0.0019 0.00000
333 -0.0211 0.00000
334 -0.0328 0.00000
335 0.0533 0.00000
336 -0.0350 0.00000
337 -0.0689 0.00000
338 -0.0933 0.00000
339 -0.0035 0.00000
340 0.0126 0.00000
341 -0.0122 0.00000
342 0.0149 0.00000
343 0.0671 0.00000
344 -0.0634 0.00000
345 0.0053 0.00000
346 -0.0334 0.00000
347 0.0933 0.00000
348 0.0683 0.00000
349 0.0166 0.00000
350 -0.1203 0.00000
351 0.0585 0.00000
352 0.0138 0.00000
353 0.0083 0.00000
354 0.1396 0.00000
355 0.0195 0.00000
356 -0.0194 0.00000
357 0.0215 0.00000
358 -0.0185 0.00000
359 0.0045 0.00000
360 0.0123 0.00000
361 -0.0118 0.00000
362 0.0122 0.00000
363 -0.0807 0.00000
364 0.0689 0.00000
365 0.0032 0.00000
366 -0.0412 0.00000
367 -0.0187 0.00000
368 -0.0102 0.00000
369 0.0291 0.00000
370 -0.0059 0.00000
371 0.0083 0.00000
372 -0.0094 0.00000
373 -0.0497 0.00000
374 -0.0470 0.00000
375 0.0023 0.00000
376 0.0072 0.00000
377 -0.0577 0.00000
378 0.0246 0.00000
379 -0.0547 0.00000
380 -0.0047 0.00000
381 -0.0004 0.00000
382 0.0091 0.00000
383 0.0729 0.00000
384 0.0217 0.00000
385 0.0434 0.00000
386 0.1082 0.00000
387 0.0288 0.00000
388 0.0353 0.00000
389 0.0477 0.00000
390 0.0266 0.00000
391 0.0137 0.00000
392 0.0272 0.00000
393 -0.0102 0.00000
394 0.0317 0.00000
395 0.0278 0.00000
396 0.0106 0.00000
397 0.0226 0.00000
398 0.0104 0.00000
399 0.0246 0.00000
400 0.0169 0.00000
401 -0.0040 0.00000
402 0.0759 0.00000
403 0.0451 0.00000
404 0.0259 0.00000
405 0.0304 0.00000
406 0.0245 0.00000
407 0.0095 0.00000
408 0.0496 0.00000
409 0.0176 0.00000
410 0.0538 0.00000
411 0.0301 0.00000
412 -0.0449 0.00000
413 0.0346 0.00000
414 0.0490 0.00000
415 0.0429 0.00000
416 0.0465 0.00000
417 0.0482 0.00000
418 0.0791 0.00000
419 0.0524 0.00000
420 0.0387 0.00000
421 -0.0125 0.00000
422 0.0023 0.00000
423 -0.0022 0.00000
424 0.0051 0.00000
425 -0.0091 0.00000
426 -0.0088 0.00000
427 0.0143 0.00000
428 0.0031 0.00000
429 -0.0044 0.00000
430 0.0087 0.00000
431 0.0184 0.00000
432 0.0515 0.00000
433 0.0350 0.00000
434 0.0750 0.00000
435 -0.0036 0.00000
436 0.0018 0.00000
437 0.0372 0.00000
438 0.0173 0.00000
439 0.0220 0.00000
440 0.0172 0.00000
441 0.0578 0.00000
442 0.0057 0.00000
443 0.0527 0.00000
444 0.0067 0.00000
445 -0.0007 0.00000
446 -0.0146 0.00000
447 0.0067 0.00000
448 -0.0072 0.00000
449 -0.0155 0.00000
450 0.0047 0.00000
451 0.0123 0.00000
452 0.0394 0.00000
453 0.0051 0.00000
454 0.0277 0.00000
455 0.0762 0.00000
456 0.0103 0.00000
457 0.0274 0.00000
458 0.0233 0.00000
459 0.0358 0.00000
460 0.0144 0.00000
461 0.0554 0.00000
462 0.0068 0.00000
463 -0.0144 0.00000
464 0.0380 0.00000
465 -0.0150 0.00000
466 0.0011 0.00000
467 0.0349 0.00000
468 0.0791 0.00000
469 0.0266 0.00000
470 0.0194 0.00000
471 0.0185 0.00000
472 0.0387 0.00000
473 0.0488 0.00000
474 0.0121 0.00000
475 0.0455 0.00000
476 0.0256 0.00000
477 0.0024 0.00000
478 0.0423 0.00000
479 0.0104 0.00000
480 0.0682 0.00000
481 0.0479 0.00000
482 0.0395 0.00000
483 -0.0220 0.00000
484 0.0232 0.00000
485 0.0262 0.00000
486 0.0686 0.00000
487 0.0093 0.00000
488 0.0096 0.00000
489 0.0018 0.00000
490 0.0458 0.00000
491 0.0403 0.00000
492 0.0474 0.00000
493 0.0505 0.00000
494 0.0847 0.00000
495 0.0132 0.00000
496 0.0143 0.00000
497 0.0160 0.00000
498 0.0121 0.00000
499 0.0131 0.00000
500 0.0292 0.00000
501 -0.0017 0.00000
502 0.0127 0.00000
503 0.0457 0.00000
504 0.0737 0.00000
505 0.0109 0.00000
506 0.0341 0.00000
507 0.0072 0.00000
508 0.0395 0.00000
509 0.0475 0.00000
510 0.0422 0.00000
511 0.0220 0.00000
512 0.0418 0.00000
513 0.0379 0.00000
514 -0.0525 0.00000
515 0.0307 0.00000
516 0.0131 0.00000
517 -0.0025 0.00000
518 0.0136 0.00000
519 0.0293 0.00000
520 0.0762 0.00000
521 0.0082 0.00000
522 0.0164 0.00000
523 0.0135 0.00000
524 0.0409 0.00000
525 -0.0016 0.00000
526 -0.0057 0.00000
527 -0.0141 0.00000
528 0.0398 0.00000
529 0.0108 0.00000
530 0.0722 0.00000
531 -0.0380 0.00000
532 0.0042 0.00000
533 -0.0013 0.00000
534 -0.0277 0.00000
535 0.0130 0.00000
536 -0.0073 0.00000
537 -0.0072 0.00000
538 -0.0874 0.00000
539 -0.0211 0.00000
540 0.0312 0.00000
541 0.0227 0.00000
542 0.0111 0.00000
543 -0.0569 0.00000
544 0.0630 0.00000
545 -0.0593 0.00000
546 0.0319 0.00000
547 0.0462 0.00000
548 -0.0488 0.00000
549 0.0558 0.00000
550 0.0111 0.00000
551 0.0226 0.00000
552 0.0164 0.00000
553 -0.1351 0.00000
554 0.0165 0.00000
555 -0.0910 0.00000
556 -0.0988 0.00000
557 0.0402 0.00000
558 0.0315 0.00000
559 0.0325 0.00000
560 -0.0213 0.00000
561 0.0016 0.00000
562 0.0469 0.00000
563 0.0244 0.00000
564 -0.0412 0.00000
565 -0.0312 0.00000
566 0.0027 0.00000
567 -0.0249 0.00000
568 0.0048 0.00000
569 0.0138 0.00000
570 -0.0611 0.00000
571 -0.0140 0.00000
572 0.0507 0.00000
573 0.0057 0.00000
574 0.0993 0.00000
575 -0.0858 0.00000
576 0.0091 0.00000
577 0.0343 0.00000
578 0.0058 0.00000
579 0.0089 0.00000
580 0.0196 0.00000
581 0.0583 0.00000
582 0.0059 0.00000
583 0.0304 0.00000
584 0.0238 0.00000
585 0.0233 0.00000
586 0.0286 0.00000
587 0.0393 0.00000
588 0.0341 0.00000
589 -0.0433 0.00000
590 0.0245 0.00000
591 0.0009 0.00000
592 -0.0050 0.00000
593 -0.0222 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1490 0.00000
597 -0.1481 0.00000
598 0.0169 0.00000
599 0.0489 0.00000
600 0.0319 0.00000
601 0.0285 0.00000
602 -0.0069 0.00000
603 -0.0522 0.00000
604 0.0375 0.00000
605 0.0565 0.00000
606 -0.0381 0.00000
607 -0.0216 0.00000
608 0.0082 0.00000
609 -0.0424 0.00000
610 0.0335 0.00000
611 -0.0350 0.00000
612 0.0140 0.00000
613 -0.0170 0.00000
614 0.0205 0.00000
615 0.0204 0.00000
616 -0.0449 0.00000
617 -0.1161 0.00000
618 -0.0619 0.00000
619 -0.0149 0.00000
620 0.0335 0.00000
621 -0.0093 0.00000
622 -0.0435 0.00000
623 0.0823 0.00000
624 -0.0192 0.00000
625 0.0241 0.00000
626 -0.0253 0.00000
627 -0.0186 0.00000
628 0.0326 0.00000
629 0.0416 0.00000
630 0.0254 0.00000
631 0.0932 0.00000
632 0.0001 0.00000
633 0.0163 0.00000
634 0.0215 0.00000
635 0.1344 0.00000
636 0.0341 0.00000
637 0.0222 0.00000
638 0.2439 0.00000
639 0.0444 0.00000
640 -0.0138 0.00000
641 0.0760 0.00000
642 -0.0127 0.00000
643 0.0242 0.00000
644 0.1205 0.00000
645 -0.0027 0.00000
646 -0.0824 0.00000
647 -0.0072 0.00000
648 -0.0296 0.00000
649 -0.0813 0.00000
650 -0.0336 0.00000
651 0.0408 0.00000
652 -0.0407 0.00000
653 -0.0234 0.00000
654 0.0166 0.00000
655 0.0603 0.00000
656 0.0210 0.00000
657 -0.0123 0.00000
658 0.0106 0.00000
659 0.0279 0.00000
660 -0.0036 0.00000
661 0.0024 0.00000
662 0.0105 0.00000
663 0.0408 0.00000
664 0.0279 0.00000
665 0.0254 0.00000
666 0.0097 0.00000
667 -0.0463 0.00000
668 -0.0026 0.00000
669 -0.0758 0.00000
670 -0.0054 0.00000
671 0.0053 0.00000
672 0.0081 0.00000
673 0.0561 0.00000
674 -0.0144 0.00000
675 -0.0367 0.00000
676 -0.0254 0.00000
677 0.0394 0.00000
678 0.0364 0.00000
679 -0.0117 0.00000
680 0.0430 0.00000
681 -0.0527 0.00000
682 0.0226 0.00000
683 -0.0235 0.00000
684 0.0197 0.00000
685 0.0377 0.00000
686 0.0082 0.00000
687 0.0144 0.00000
688 -0.0192 0.00000
689 -0.0404 0.00000
690 -0.0099 0.00000
691 0.0165 0.00000
692 0.0199 0.00000
693 0.0438 0.00000
694 0.0243 0.00000
695 0.0238 0.00000
696 0.0527 0.00000
697 0.0152 0.00000
698 0.0274 0.00000
699 0.0307 0.00000
700 0.0160 0.00000
701 0.0516 0.00000
702 -0.0495 0.00000
703 0.0166 0.00000
704 -0.0120 0.00000
705 0.0855 0.00000
706 0.0018 0.00000
707 0.0337 0.00000
708 0.0032 0.00000
709 -0.0438 0.00000
710 0.0454 0.00000
711 0.0187 0.00000
712 -0.0342 0.00000
713 0.0330 0.00000
714 -0.0293 0.00000
715 0.0240 0.00000
716 -0.0857 0.00000
717 0.0084 0.00000
718 0.0546 0.00000
719 0.0584 0.00000
720 -0.0411 0.00000
721 -0.0462 0.00000
722 -0.0212 0.00000
723 0.0194 0.00000
724 -0.0106 0.00000
725 0.0085 0.00000
726 -0.0568 0.00000
727 0.0261 0.00000
728 0.0505 0.00000
729 0.0003 0.00000
730 0.0629 0.00000
731 -0.0472 0.00000
732 0.0207 0.00000
733 0.0553 0.00000
734 -0.0977 0.00000
735 0.0250 0.00000
736 -0.0175 0.00000
737 0.0597 0.00000
738 0.0140 0.00000
739 -0.0224 0.00000
740 -0.0115 0.00000
741 -0.0174 0.00000
742 0.0089 0.00000
743 -0.0047 0.00000
744 0.0006 0.00000
745 -0.0608 0.00000
746 -0.0119 0.00000
747 0.0416 0.00000
748 0.0248 0.00000
749 -0.0139 0.00000
750 -0.0110 0.00000
751 -0.0138 0.00000
752 -0.1000 0.00000
753 -0.0112 0.00000
754 0.0431 0.00000
755 -0.0008 0.00000
756 -0.0046 0.00000
757 -0.1156 0.00000
758 -0.0276 0.00000
759 0.0530 0.00000
760 -0.0165 0.00000
761 0.0106 0.00000
762 0.0141 0.00000
763 0.0054 0.00000
764 -0.0656 0.00000
765 -0.0129 0.00000
766 -0.0062 0.00000
767 0.0069 0.00000
768 0.0188 0.00000
769 -0.0564 0.00000
770 -0.0006 0.00000
771 -0.0870 0.00000
772 0.0079 0.00000
773 -0.0296 0.00000
774 0.0915 0.00000
775 0.0108 0.00000
776 0.0083 0.00000
777 -0.0161 0.00000
778 -0.0123 0.00000
779 0.0324 0.00000
780 -0.0155 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0212 0.00000
5 0.0253 0.00000
6 0.0157 0.00000
7 -0.0059 0.00000
8 0.0145 0.00000
9 0.0382 0.00000
10 0.0306 0.00000
11 -0.0735 0.00000
12 0.0448 0.00000
13 -0.0344 0.00000
14 -0.0554 0.00000
15 -0.0744 0.00000
16 0.1084 0.00000
17 0.0389 0.00000
18 0.0475 0.00000
19 0.0007 0.00000
20 -0.1370 0.00000
21 -0.0187 0.00000
22 -0.0077 0.00000
23 0.0284 0.00000
24 0.0609 0.00000
25 0.0639 0.00000
26 0.1219 0.00000
27 0.0670 0.00000
28 0.0029 0.00000
29 -0.0282 0.00000
30 0.0342 0.00000
31 0.0289 0.00000
32 0.0734 0.00000
33 0.0259 0.00000
34 0.0244 0.00000
35 0.0203 0.00000
36 0.0160 0.00000
37 0.0063 0.00000
38 0.0371 0.00000
39 0.0401 0.00000
40 0.0118 0.00000
41 0.0153 0.00000
42 0.0012 0.00000
43 0.0276 0.00000
44 -0.0003 0.00000
45 0.0368 0.00000
46 0.0489 0.00000
47 0.0619 0.00000
48 0.0314 0.00000
49 0.0224 0.00000
50 0.0561 0.00000
51 0.0521 0.00000
52 0.0330 0.00000
53 0.0122 0.00000
54 0.0276 0.00000
55 0.0215 0.00000
56 0.0413 0.00000
57 -0.0276 0.00000
58 -0.0037 0.00000
59 0.0083 0.00000
60 0.0921 0.00000
61 0.0158 0.00000
62 0.0371 0.00000
63 0.0465 0.00000
64 0.0771 0.00000
65 0.0220 0.00000
66 0.0014 0.00000
67 0.0333 0.00000
68 0.1711 0.00000
69 0.0153 0.00000
70 0.0300 0.00000
71 0.0500 0.00000
72 0.0354 0.00000
73 0.0258 0.00000
74 0.0093 0.00000
75 -0.0039 0.00000
76 0.1045 0.00000
77 0.0562 0.00000
78 0.0293 0.00000
79 0.0821 0.00000
80 -0.0027 0.00000
81 0.0656 0.00000
82 0.1264 0.00000
83 0.0260 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2257 0.00000
89 0.0296 0.00000
90 -0.0584 0.00000
91 -0.2100 0.00000
92 -0.1465 0.00000
93 0.0832 0.00000
94 0.0113 0.00000
95 0.2987 0.00000
96 0.3173 0.00000
97 -0.0217 0.00000
98 0.0567 0.00000
99 0.0344 0.00000
100 0.0142 0.00000
101 0.0064 0.00000
102 0.0904 0.00000
103 -0.0133 0.00000
104 0.2885 0.00000
105 -0.0139 0.00000
106 0.0521 0.00000
107 -0.0167 0.00000
108 0.0755 0.00000
109 0.0148 0.00000
110 0.0300 0.00000
111 0.0001 0.00000
112 0.0718 0.00000
113 0.0323 0.00000
114 -0.0243 0.00000
115 -0.0890 0.00000
116 -0.0115 0.00000
117 -0.0605 0.00000
118 0.2634 0.00000
119 0.0354 0.00000
120 0.1798 0.00000
121 0.0928 0.00000
122 -0.0909 0.00000
123 0.1872 0.00000
124 0.6976 0.00000
125 -0.0665 0.00000
126 -0.0286 0.00000
127 0.0184 0.00000
128 -0.0192 0.00000
129 0.3849 0.00000
130 0.0448 0.00000
131 0.0623 0.00000
132 -0.0300 0.00000
133 0.0355 0.00000
134 -0.0440 0.00000
135 0.0100 0.00000
136 -0.0843 0.00000
137 -0.0214 0.00000
138 -0.0004 0.00000
139 0.0085 0.00000
140 0.0281 0.00000
141 -0.1585 0.00000
142 0.0209 0.00000
143 0.0241 0.00000
144 0.0362 0.00000
145 0.0292 0.00000
146 0.0266 0.00000
147 0.0147 0.00000
148 -0.0506 0.00000
149 0.0116 0.00000
150 -0.0396 0.00000
151 0.0452 0.00000
152 -0.0584 0.00000
153 0.0640 0.00000
154 0.0449 0.00000
155 0.0775 0.00000
156 0.0036 0.00000
157 0.0141 0.00000
158 0.0972 0.00000
159 0.0272 0.00000
160 0.0885 0.00000
161 0.0168 0.00000
162 0.0366 0.00000
163 0.0123 0.00000
164 0.0142 0.00000
165 0.0192 0.00000
166 0.0138 0.00000
167 0.0049 0.00000
168 0.0282 0.00000
169 0.0216 0.00000
170 0.0177 0.00000
171 0.0375 0.00000
172 0.0300 0.00000
173 0.0667 0.00000
174 0.0119 0.00000
175 -0.0162 0.00000
176 0.0160 0.00000
177 0.0207 0.00000
178 0.0296 0.00000
179 0.0098 0.00000
180 0.0188 0.00000
181 -0.0207 0.00000
182 -0.0229 0.00000
183 0.0707 0.00000
184 0.0299 0.00000
185 -0.1945 0.00000
186 0.0257 0.00000
187 0.0918 0.00000
188 0.0065 0.00000
189 -0.0091 0.00000
190 0.0360 0.00000
191 0.0161 0.00000
192 0.0188 0.00000
193 0.0289 0.00000
194 0.0297 0.00000
195 0.1882 0.00000
196 0.0356 0.00000
197 0.0167 0.00000
198 0.0597 0.00000
199 -0.0046 0.00000
200 -0.0018 0.00000
201 0.0137 0.00000
202 -0.0361 0.00000
203 0.0190 0.00000
204 -0.0105 0.00000
205 0.0016 0.00000
206 0.0083 0.00000
207 0.0143 0.00000
208 0.0020 0.00000
209 -0.0099 0.00000
210 -0.0111 0.00000
211 0.0283 0.00000
212 -0.0021 0.00000
213 0.0309 0.00000
214 0.0454 0.00000
215 0.1099 0.00000
216 0.0530 0.00000
217 0.0545 0.00000
218 0.0457 0.00000
219 0.0186 0.00000
220 0.0522 0.00000
221 0.0178 0.00000
222 0.0428 0.00000
223 0.0323 0.00000
224 0.1535 0.00000
225 0.0955 0.00000
226 0.0157 0.00000
227 -0.0025 0.00000
228 0.0148 0.00000
229 0.0344 0.00000
230 0.0481 0.00000
231 -0.2305 0.00000
232 -0.0169 0.00000
233 -0.0188 0.00000
234 -0.0240 0.00000
235 -0.4474 0.00000
236 -0.1574 0.00000
237 -0.0347 0.00000
238 -0.2732 0.00000
239 -0.0384 0.00000
240 -0.1942 0.00000
241 -0.1394 0.00000
242 0.0047 0.00000
243 -0.0215 0.00000
244 0.0031 0.00000
245 -0.0242 0.00000
246 -0.0376 0.00000
247 0.0010 0.00000
248 0.0114 0.00000
249 -0.0605 0.00000
250 -0.0194 0.00000
251 0.0103 0.00000
252 0.1249 0.00000
253 -0.0416 0.00000
254 -0.1595 0.00000
255 0.0047 0.00000
256 0.0400 0.00000
257 -0.0021 0.00000
258 0.0278 0.00000
259 -0.0350 0.00000
260 0.0084 0.00000
261 0.0028 0.00000
262 -0.0316 0.00000
263 -0.0341 0.00000
264 0.0018 0.00000
265 0.0051 0.00000
266 -0.1320 0.00000
267 -0.0388 0.00000
268 0.0396 0.00000
269 -0.0159 0.00000
270 0.0006 0.00000
271 -0.0030 0.00000
272 -0.0355 0.00000
273 0.0428 0.00000
274 -0.0158 0.00000
275 0.0245 0.00000
276 -0.0200 0.00000
277 0.0182 0.00000
278 -0.0201 0.00000
279 -0.1568 0.00000
280 -0.0272 0.00000
281 -0.0296 0.00000
282 0.0023 0.00000
283 0.0347 0.00000
284 0.0030 0.00000
285 -0.0018 0.00000
286 0.0264 0.00000
287 0.0317 0.00000
288 0.0290 0.00000
289 -0.0082 0.00000
290 0.0330 0.00000
291 0.0581 0.00000
292 0.0707 0.00000
293 0.0210 0.00000
294 -0.0098 0.00000
295 0.0459 0.00000
296 0.1017 0.00000
297 -0.0299 0.00000
298 0.0346 0.00000
299 0.1278 0.00000
300 0.0419 0.00000
301 0.0304 0.00000
302 0.0064 0.00000
303 0.0259 0.00000
304 0.0688 0.00000
305 0.0742 0.00000
306 0.0780 0.00000
307 0.0558 0.00000
308 0.0976 0.00000
309 -0.0286 0.00000
310 0.0268 0.00000
311 0.0089 0.00000
312 0.0001 0.00000
313 0.0442 0.00000
314 0.0241 0.00000
315 0.0370 0.00000
316 0.0315 0.00000
317 0.0519 0.00000
318 0.0577 0.00000
319 -0.0095 0.00000
320 0.0061 0.00000
321 -0.0076 0.00000
322 0.0060 0.00000
323 0.0463 0.00000
324 0.0577 0.00000
325 0.0087 0.00000
326 0.0074 0.00000
327 -0.0355 0.00000
328 0.0012 0.00000
329 0.0256 0.00000
330 0.0242 0.00000
331 -0.1039 0.00000
332 0.0109 0.00000
333 -0.0260 0.00000
334 -0.0117 0.00000
335 -0.1214 0.00000
336 -0.0184 0.00000
337 0.0192 0.00000
338 -0.0787 0.00000
339 0.0158 0.00000
340 0.0259 0.00000
341 -0.0431 0.00000
342 0.0243 0.00000
343 0.0002 0.00000
344 0.0288 0.00000
345 0.0021 0.00000
346 0.0803 0.00000
347 0.0153 0.00000
348 0.0092 0.00000
349 -0.0586 0.00000
350 -0.0138 0.00000
351 0.0070 0.00000
352 0.2225 0.00000
353 0.0247 0.00000
354 0.0344 0.00000
355 -0.0397 0.00000
356 -0.0634 0.00000
357 -0.0253 0.00000
358 0.0412 0.00000
359 0.0240 0.00000
360 0.0131 0.00000
361 -0.0211 0.00000
362 -0.0175 0.00000
363 -0.0179 0.00000
364 0.0134 0.00000
365 -0.0014 0.00000
366 0.0101 0.00000
367 -0.0907 0.00000
368 0.0031 0.00000
369 0.0615 0.00000
370 -0.0375 0.00000
371 0.0336 0.00000
372 0.0517 0.00000
373 0.0070 0.00000
374 -0.0360 0.00000
375 0.0093 0.00000
376 0.0174 0.00000
377 -0.0678 0.00000
378 -0.0161 0.00000
379 -0.0245 0.00000
380 -0.0390 0.00000
381 -0.0179 0.00000
382 -0.0076 0.00000
383 -0.0132 0.00000
384 0.0293 0.00000
385 0.0716 0.00000
386 -0.0228 0.00000
387 0.0873 0.00000
388 0.1414 0.00000
389 0.0050 0.00000
390 0.0180 0.00000
391 0.0415 0.00000
392 0.0738 0.00000
393 -0.0322 0.00000
394 0.0221 0.00000
395 0.0320 0.00000
396 -0.0022 0.00000
397 0.0444 0.00000
398 0.0215 0.00000
399 -0.0091 0.00000
400 0.0468 0.00000
401 0.0445 0.00000
402 -0.0445 0.00000
403 0.0154 0.00000
404 0.0067 0.00000
405 0.0305 0.00000
406 0.0307 0.00000
407 0.0559 0.00000
408 0.0102 0.00000
409 0.0158 0.00000
410 0.0749 0.00000
411 0.0658 0.00000
412 0.0360 0.00000
413 0.0517 0.00000
414 0.0087 0.00000
415 0.0023 0.00000
416 0.0621 0.00000
417 0.0036 0.00000
418 0.0427 0.00000
419 0.0904 0.00000
420 0.0153 0.00000
421 0.0318 0.00000
422 0.0326 0.00000
423 0.0010 0.00000
424 0.0017 0.00000
425 -0.0384 0.00000
426 0.0114 0.00000
427 0.0174 0.00000
428 -0.0012 0.00000
429 0.0101 0.00000
430 0.0170 0.00000
431 0.0296 0.00000
432 0.0153 0.00000
433 0.0184 0.00000
434 0.0345 0.00000
435 0.0150 0.00000
436 0.0192 0.00000
437 -0.0109 0.00000
438 0.0318 0.00000
439 0.0189 0.00000
440 0.0567 0.00000
441 0.0464 0.00000
442 0.0168 0.00000
443 -0.0031 0.00000
444 0.0114 0.00000
445 0.0136 0.00000
446 0.0021 0.00000
447 0.0146 0.00000
448 0.0510 0.00000
449 0.0860 0.00000
450 0.0129 0.00000
451 -0.0234 0.00000
452 0.0058 0.00000
453 0.0134 0.00000
454 -0.0003 0.00000
455 0.0252 0.00000
456 0.0282 0.00000
457 0.0649 0.00000
458 0.0153 0.00000
459 -0.0304 0.00000
460 0.0162 0.00000
461 0.0251 0.00000
462 0.0139 0.00000
463 0.0021 0.00000
464 0.0190 0.00000
465 0.0327 0.00000
466 -0.0038 0.00000
467 -0.0021 0.00000
468 0.0102 0.00000
469 0.0359 0.00000
470 0.1048 0.00000
471 0.0111 0.00000
472 0.0114 0.00000
473 0.0312 0.00000
474 0.0884 0.00000
475 0.0227 0.00000
476 0.0091 0.00000
477 0.0130 0.00000
478 0.0360 0.00000
479 0.0531 0.00000
480 0.0296 0.00000
481 0.0194 0.00000
482 0.0185 0.00000
483 0.0101 0.00000
484 0.0228 0.00000
485 0.0821 0.00000
486 0.0136 0.00000
487 0.0290 0.00000
488 0.0659 0.00000
489 0.0364 0.00000
490 0.0133 0.00000
491 0.0768 0.00000
492 0.0039 0.00000
493 0.0061 0.00000
494 -0.0106 0.00000
495 0.0419 0.00000
496 0.0829 0.00000
497 0.0293 0.00000
498 0.0336 0.00000
499 0.0250 0.00000
500 0.0582 0.00000
501 0.0169 0.00000
502 0.0125 0.00000
503 0.0287 0.00000
504 0.0217 0.00000
505 0.0001 0.00000
506 0.0754 0.00000
507 0.0132 0.00000
508 -0.0070 0.00000
509 0.0123 0.00000
510 0.0383 0.00000
511 -0.0080 0.00000
512 0.0140 0.00000
513 0.0461 0.00000
514 0.0504 0.00000
515 -0.0247 0.00000
516 0.0301 0.00000
517 -0.0002 0.00000
518 0.0083 0.00000
519 0.0089 0.00000
520 0.0017 0.00000
521 0.0282 0.00000
522 0.0279 0.00000
523 0.0259 0.00000
524 0.0266 0.00000
525 0.0221 0.00000
526 0.0063 0.00000
527 0.0444 0.00000
528 0.0292 0.00000
529 0.0181 0.00000
530 0.0189 0.00000
531 -0.0055 0.00000
532 0.0065 0.00000
533 -0.0925 0.00000
534 0.0050 0.00000
535 -0.0331 0.00000
536 -0.0240 0.00000
537 0.0767 0.00000
538 0.0316 0.00000
539 0.0457 0.00000
540 0.0488 0.00000
541 -0.0491 0.00000
542 0.0029 0.00000
543 0.0068 0.00000
544 0.0561 0.00000
545 -0.0202 0.00000
546 0.0112 0.00000
547 0.0310 0.00000
548 -0.1932 0.00000
549 -0.1063 0.00000
550 0.0093 0.00000
551 0.0710 0.00000
552 0.0469 0.00000
553 -0.0179 0.00000
554 -0.0766 0.00000
555 -0.0635 0.00000
556 0.0105 0.00000
557 -0.0554 0.00000
558 -0.0445 0.00000
559 0.0464 0.00000
560 -0.0023 0.00000
561 0.0315 0.00000
562 0.0497 0.00000
563 0.0276 0.00000
564 0.0044 0.00000
565 -0.0273 0.00000
566 -0.0196 0.00000
567 -0.0236 0.00000
568 0.0180 0.00000
569 -0.0037 0.00000
570 0.0029 0.00000
571 -0.0305 0.00000
572 0.0058 0.00000
573 -0.0018 0.00000
574 -0.0019 0.00000
575 0.0997 0.00000
576 -0.0104 0.00000
577 0.0347 0.00000
578 -0.0317 0.00000
579 -0.0276 0.00000
580 0.0229 0.00000
581 0.0444 0.00000
582 0.0248 0.00000
583 0.0450 0.00000
584 0.0212 0.00000
585 0.0217 0.00000
586 0.0244 0.00000
587 0.0385 0.00000
588 0.0364 0.00000
589 -0.0431 0.00000
590 0.0313 0.00000
591 -0.0079 0.00000
592 -0.0016 0.00000
593 -0.0235 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1492 0.00000
597 -0.1487 0.00000
598 -0.0053 0.00000
599 0.0822 0.00000
600 -0.0036 0.00000
601 0.0530 0.00000
602 -0.0248 0.00000
603 -0.0038 0.00000
604 0.0487 0.00000
605 -0.0074 0.00000
606 0.0349 0.00000
607 0.0096 0.00000
608 -0.0245 0.00000
609 -0.1358 0.00000
610 0.0291 0.00000
611 -0.0473 0.00000
612 -0.0025 0.00000
613 -0.0077 0.00000
614 -0.0076 0.00000
615 0.0053 0.00000
616 0.0182 0.00000
617 -0.0318 0.00000
618 0.0350 0.00000
619 0.0101 0.00000
620 0.0212 0.00000
621 -0.1093 0.00000
622 0.0101 0.00000
623 -0.0040 0.00000
624 0.0159 0.00000
625 -0.0912 0.00000
626 0.1312 0.00000
627 -0.0536 0.00000
628 0.0120 0.00000
629 0.0141 0.00000
630 0.1312 0.00000
631 -0.1125 0.00000
632 0.0083 0.00000
633 -0.0153 0.00000
634 0.0231 0.00000
635 0.1381 0.00000
636 0.0224 0.00000
637 0.0968 0.00000
638 0.2131 0.00000
639 0.0244 0.00000
640 0.0247 0.00000
641 0.1254 0.00000
642 0.1157 0.00000
643 -0.0019 0.00000
644 -0.1480 0.00000
645 0.0240 0.00000
646 0.0525 0.00000
647 -0.0414 0.00000
648 0.0187 0.00000
649 -0.0239 0.00000
650 0.1186 0.00000
651 0.0095 0.00000
652 -0.0639 0.00000
653 -0.0160 0.00000
654 -0.0715 0.00000
655 0.0257 0.00000
656 -0.0100 0.00000
657 0.0489 0.00000
658 0.0449 0.00000
659 -0.0610 0.00000
660 -0.0190 0.00000
661 -0.0208 0.00000
662 0.0181 0.00000
663 0.0459 0.00000
664 0.0206 0.00000
665 -0.0431 0.00000
666 0.0022 0.00000
667 0.0384 0.00000
668 -0.0208 0.00000
669 0.0133 0.00000
670 0.0545 0.00000
671 -0.0347 0.00000
672 -0.0547 0.00000
673 -0.0733 0.00000
674 0.0648 0.00000
675 0.0313 0.00000
676 -0.0370 0.00000
677 0.0025 0.00000
678 0.0282 0.00000
679 0.0204 0.00000
680 -0.0439 0.00000
681 0.0081 0.00000
682 -0.0078 0.00000
683 0.0193 0.00000
684 0.0387 0.00000
685 0.0372 0.00000
686 0.0058 0.00000
687 0.0496 0.00000
688 -0.0116 0.00000
689 -0.0052 0.00000
690 0.0052 0.00000
691 -0.0203 0.00000
692 0.0816 0.00000
693 -0.0735 0.00000
694 0.0036 0.00000
695 -0.0004 0.00000
696 -0.0207 0.00000
697 0.0259 0.00000
698 -0.0111 0.00000
699 0.0084 0.00000
700 0.0390 0.00000
701 0.0102 0.00000
702 0.0043 0.00000
703 0.0594 0.00000
704 -0.0411 0.00000
705 0.0066 0.00000
706 -0.0095 0.00000
707 0.0631 0.00000
708 -0.0180 0.00000
709 -0.0212 0.00000
710 0.0106 0.00000
711 0.0403 0.00000
712 0.0039 0.00000
713 -0.0090 0.00000
714 0.0538 0.00000
715 0.0154 0.00000
716 0.0421 0.00000
717 0.0600 0.00000
718 0.0305 0.00000
719 -0.0490 0.00000
720 0.0097 0.00000
721 -0.0309 0.00000
722 -0.0291 0.00000
723 0.0408 0.00000
724 0.0124 0.00000
725 0.0081 0.00000
726 0.0892 0.00000
727 -0.0317 0.00000
728 -0.0010 0.00000
729 0.0401 0.00000
730 -0.1223 0.00000
731 0.0020 0.00000
732 0.0475 0.00000
733 -0.0384 0.00000
734 0.0304 0.00000
735 0.0278 0.00000
736 -0.0236 0.00000
737 0.0267 0.00000
738 -0.0205 0.00000
739 0.0230 0.00000
740 -0.0001 0.00000
741 -0.0196 0.00000
742 0.0150 0.00000
743 0.0260 0.00000
744 -0.0207 0.00000
745 -0.0540 0.00000
746 0.0273 0.00000
747 0.0271 0.00000
748 0.0379 0.00000
749 -0.0320 0.00000
750 -0.0849 0.00000
751 -0.0084 0.00000
752 -0.0108 0.00000
753 0.0080 0.00000
754 -0.0165 0.00000
755 -0.1033 0.00000
756 0.0000 0.00000
757 -0.0053 0.00000
758 0.0307 0.00000
759 0.0399 0.00000
760 -0.0894 0.00000
761 -0.0641 0.00000
762 0.0140 0.00000
763 -0.0413 0.00000
764 -0.0083 0.00000
765 0.0002 0.00000
766 -0.0025 0.00000
767 0.0213 0.00000
768 0.0147 0.00000
769 -0.0241 0.00000
770 0.0107 0.00000
771 -0.0620 0.00000
772 0.0073 0.00000
773 0.0019 0.00000
774 0.0182 0.00000
775 0.0454 0.00000
776 0.0163 0.00000
777 0.0066 0.00000
778 -0.0010 0.00000
779 -0.0251 0.00000
780 -0.0472 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0196 0.00000
5 0.0237 0.00000
6 0.0157 0.00000
7 -0.0058 0.00000
8 0.0142 0.00000
9 0.0382 0.00000
10 0.0308 0.00000
11 -0.0733 0.00000
12 0.0447 0.00000
13 -0.0344 0.00000
14 -0.0555 0.00000
15 -0.0742 0.00000
16 0.1325 0.00000
17 0.0215 0.00000
18 0.0365 0.00000
19 0.0264 0.00000
20 -0.1566 0.00000
21 -0.0186 0.00000
22 -0.0135 0.00000
23 0.0288 0.00000
24 0.0884 0.00000
25 0.0486 0.00000
26 0.0988 0.00000
27 0.0854 0.00000
28 -0.0102 0.00000
29 -0.0095 0.00000
30 0.0317 0.00000
31 0.0326 0.00000
32 0.0638 0.00000
33 0.0274 0.00000
34 0.0300 0.00000
35 0.0189 0.00000
36 -0.0028 0.00000
37 0.0331 0.00000
38 0.0286 0.00000
39 0.0129 0.00000
40 0.0323 0.00000
41 0.0164 0.00000
42 -0.0002 0.00000
43 0.0275 0.00000
44 0.0244 0.00000
45 0.0140 0.00000
46 0.0834 0.00000
47 0.0288 0.00000
48 0.0385 0.00000
49 0.0270 0.00000
50 0.0142 0.00000
51 0.0480 0.00000
52 0.0702 0.00000
53 0.0124 0.00000
54 0.0240 0.00000
55 0.0275 0.00000
56 0.0288 0.00000
57 -0.0277 0.00000
58 0.0094 0.00000
59 0.0078 0.00000
60 0.0956 0.00000
61 -0.0080 0.00000
62 0.0753 0.00000
63 0.0544 0.00000
64 0.0322 0.00000
65 0.0426 0.00000
66 -0.0037 0.00000
67 0.0175 0.00000
68 0.1719 0.00000
69 0.0275 0.00000
70 0.0275 0.00000
71 0.0499 0.00000
72 0.0353 0.00000
73 0.0229 0.00000
74 0.0104 0.00000
75 0.0207 0.00000
76 0.0830 0.00000
77 0.0583 0.00000
78 0.0318 0.00000
79 0.0768 0.00000
80 -0.0027 0.00000
81 0.0656 0.00000
82 0.1265 0.00000
83 0.0259 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2258 0.00000
89 0.0268 0.00000
90 -0.0559 0.00000
91 -0.2367 0.00000
92 -0.1102 0.00000
93 0.0594 0.00000
94 0.0355 0.00000
95 0.2588 0.00000
96 0.3623 0.00000
97 -0.0258 0.00000
98 0.0311 0.00000
99 0.0511 0.00000
100 0.0165 0.00000
101 -0.0001 0.00000
102 0.0643 0.00000
103 0.0153 0.00000
104 0.2744 0.00000
105 0.0128 0.00000
106 0.0217 0.00000
107 0.0061 0.00000
108 0.0608 0.00000
109 0.0285 0.00000
110 -0.0085 0.00000
111 0.0153 0.00000
112 0.0423 0.00000
113 0.1429 0.00000
114 -0.0398 0.00000
115 -0.1168 0.00000
116 -0.0332 0.00000
117 -0.0333 0.00000
118 0.2464 0.00000
119 0.0316 0.00000
120 0.1960 0.00000
121 0.1475 0.00000
122 -0.1664 0.00000
123 0.0311 0.00000
124 0.8934 0.00000
125 -0.0977 0.00000
126 -0.0203 0.00000
127 0.0025 0.00000
128 -0.0196 0.00000
129 0.3820 0.00000
130 0.0085 0.00000
131 0.0621 0.00000
132 0.0367 0.00000
133 -0.0006 0.00000
134 -0.0338 0.00000
135 0.0086 0.00000
136 -0.0987 0.00000
137 0.0011 0.00000
138 -0.0048 0.00000
139 0.0131 0.00000
140 0.0209 0.00000
141 -0.1620 0.00000
142 0.0229 0.00000
143 0.0251 0.00000
144 0.0369 0.00000
145 0.0302 0.00000
146 0.0250 0.00000
147 0.0151 0.00000
148 -0.0529 0.00000
149 0.0197 0.00000
150 -0.0418 0.00000
151 0.0367 0.00000
152 -0.0341 0.00000
153 0.0315 0.00000
154 0.0624 0.00000
155 0.0669 0.00000
156 -0.0013 0.00000
157 0.1105 0.00000
158 0.0215 0.00000
159 0.0299 0.00000
160 0.0470 0.00000
161 0.0365 0.00000
162 0.0241 0.00000
163 0.0191 0.00000
164 0.0237 0.00000
165 0.0043 0.00000
166 0.0600 0.00000
167 -0.0064 0.00000
168 0.0191 0.00000
169 0.0023 0.00000
170 0.0329 0.00000
171 0.0425 0.00000
172 0.0257 0.00000
173 0.0385 0.00000
174 0.0207 0.00000
175 0.0427 0.00000
176 -0.0041 0.00000
177 0.0028 0.00000
178 0.0191 0.00000
179 0.0241 0.00000
180 -0.0015 0.00000
181 -0.0178 0.00000
182 0.0122 0.00000
183 0.0157 0.00000
184 0.0482 0.00000
185 -0.1679 0.00000
186 0.0264 0.00000
187 0.0448 0.00000
188 0.0336 0.00000
189 0.0344 0.00000
190 0.0176 0.00000
191 -0.0047 0.00000
192 0.0382 0.00000
193 0.0296 0.00000
194 0.0466 0.00000
195 0.1256 0.00000
196 0.0222 0.00000
197 0.0596 0.00000
198 0.0470 0.00000
199 -0.0074 0.00000
200 0.0196 0.00000
201 0.0245 0.00000
202 -0.0184 0.00000
203 -0.0133 0.00000
204 -0.0234 0.00000
205 0.0010 0.00000
206 -0.0077 0.00000
207 0.0197 0.00000
208 0.0077 0.00000
209 0.0321 0.00000
210 0.0033 0.00000
211 -0.0505 0.00000
212 0.0585 0.00000
213 0.0038 0.00000
214 0.0988 0.00000
215 0.0453 0.00000
216 0.0499 0.00000
217 0.0437 0.00000
218 0.0993 0.00000
219 0.0168 0.00000
220 0.0330 0.00000
221 0.0115 0.00000
222 0.0434 0.00000
223 0.0681 0.00000
224 0.1299 0.00000
225 0.0604 0.00000
226 0.0441 0.00000
227 -0.0128 0.00000
228 0.0133 0.00000
229 0.0340 0.00000
230 0.0556 0.00000
231 -0.2311 0.00000
232 -0.0187 0.00000
233 -0.0199 0.00000
234 -0.0230 0.00000
235 -0.4585 0.00000
236 -0.1162 0.00000
237 -0.2919 0.00000
238 -0.0704 0.00000
239 -0.0075 0.00000
240 -0.2172 0.00000
241 -0.1002 0.00000
242 -0.0070 0.00000
243 -0.0653 0.00000
244 -0.0124 0.00000
245 0.0250 0.00000
246 -0.0352 0.00000
247 -0.0046 0.00000
248 0.0015 0.00000
249 -0.0586 0.00000
250 0.0105 0.00000
251 -0.0462 0.00000
252 0.1658 0.00000
253 -0.1364 0.00000
254 0.0071 0.00000
255 -0.0433 0.00000
256 0.0134 0.00000
257 0.0074 0.00000
258 0.0257 0.00000
259 -0.0024 0.00000
260 -0.0344 0.00000
261 -0.0633 0.00000
262 0.0229 0.00000
263 0.0057 0.00000
264 -0.0157 0.00000
265 0.0058 0.00000
266 -0.1156 0.00000
267 -0.0077 0.00000
268 0.0067 0.00000
269 -0.0544 0.00000
270 0.0115 0.00000
271 -0.0102 0.00000
272 -0.0030 0.00000
273 0.0338 0.00000
274 -0.0303 0.00000
275 0.0125 0.00000
276 -0.0163 0.00000
277 -0.1191 0.00000
278 -0.0525 0.00000
279 0.0142 0.00000
280 -0.0071 0.00000
281 -0.0285 0.00000
282 0.0034 0.00000
283 0.0060 0.00000
284 0.0414 0.00000
285 -0.0286 0.00000
286 0.0130 0.00000
287 0.0066 0.00000
288 0.0234 0.00000
289 0.0469 0.00000
290 0.0710 0.00000
291 0.0697 0.00000
292 0.0172 0.00000
293 0.0041 0.00000
294 0.0145 0.00000
295 0.0203 0.00000
296 0.0342 0.00000
297 0.0855 0.00000
298 0.0049 0.00000
299 0.0206 0.00000
300 0.0168 0.00000
301 0.1335 0.00000
302 0.0688 0.00000
303 0.0195 0.00000
304 0.0321 0.00000
305 0.1026 0.00000
306 0.0925 0.00000
307 -0.0298 0.00000
308 0.0023 0.00000
309 0.0631 0.00000
310 -0.0091 0.00000
311 0.1071 0.00000
312 0.0126 0.00000
313 0.0642 0.00000
314 0.0484 0.00000
315 0.0256 0.00000
316 0.0012 0.00000
317 0.0435 0.00000
318 0.0630 0.00000
319 0.0448 0.00000
320 0.0028 0.00000
321 -0.0164 0.00000
322 0.0022 0.00000
323 0.0179 0.00000
324 -0.0226 0.00000
325 0.0219 0.00000
326 -0.0181 0.00000
327 0.0378 0.00000
328 0.0203 0.00000
329 -0.0131 0.00000
330 -0.0086 0.00000
331 -0.0000 0.00000
332 -0.0044 0.00000
333 -0.0331 0.00000
334 -0.0075 0.00000
335 0.0176 0.00000
336 0.0150 0.00000
337 -0.0572 0.00000
338 -0.1043 0.00000
339 -0.0429 0.00000
340 -0.0114 0.00000
341 0.0082 0.00000
342 -0.0143 0.00000
343 -0.0006 0.00000
344 0.0128 0.00000
345 0.0852 0.00000
346 -0.0058 0.00000
347 0.0095 0.00000
348 -0.0148 0.00000
349 0.0703 0.00000
350 -0.1187 0.00000
351 0.0020 0.00000
352 0.0393 0.00000
353 -0.0089 0.00000
354 0.1159 0.00000
355 -0.0176 0.00000
356 0.0040 0.00000
357 -0.0240 0.00000
358 0.0228 0.00000
359 0.0467 0.00000
360 -0.0106 0.00000
361 0.0030 0.00000
362 -0.0114 0.00000
363 0.0635 0.00000
364 -0.0254 0.00000
365 -0.0145 0.00000
366 -0.1097 0.00000
367 0.0015 0.00000
368 0.0318 0.00000
369 0.0215 0.00000
370 0.0049 0.00000
371 0.0219 0.00000
372 -0.1262 0.00000
373 -0.0023 0.00000
374 0.0319 0.00000
375 0.0369 0.00000
376 -0.0039 0.00000
377 0.0258 0.00000
378 0.0903 0.00000
379 -0.0244 0.00000
380 -0.0096 0.00000
381 0.0393 0.00000
382 -0.0213 0.00000
383 -0.0076 0.00000
384 0.0173 0.00000
385 -0.0023 0.00000
386 0.0193 0.00000
387 0.0009 0.00000
388 0.0198 0.00000
389 0.0245 0.00000
390 0.0618 0.00000
391 0.0475 0.00000
392 -0.0103 0.00000
393 0.0097 0.00000
394 0.0247 0.00000
395 0.0695 0.00000
396 0.0096 0.00000
397 0.0744 0.00000
398 0.0068 0.00000
399 0.0006 0.00000
400 -0.0179 0.00000
401 0.0216 0.00000
402 0.0393 0.00000
403 0.0615 0.00000
404 0.0131 0.00000
405 0.0603 0.00000
406 0.0397 0.00000
407 0.0052 0.00000
408 0.0423 0.00000
409 -0.0080 0.00000
410 0.0077 0.00000
411 0.0439 0.00000
412 0.0065 0.00000
413 0.0520 0.00000
414 0.0651 0.00000
415 0.0306 0.00000
416 0.0564 0.00000
417 0.0576 0.00000
418 0.0099 0.00000
419 0.0350 0.00000
420 0.0328 0.00000
421 0.0520 0.00000
422 0.0235 0.00000
423 0.0192 0.00000
424 0.0204 0.00000
425 -0.0836 0.00000
426 -0.0130 0.00000
427 0.0056 0.00000
428 0.0211 0.00000
429 0.0269 0.00000
430 0.0302 0.00000
431 0.0162 0.00000
432 0.0400 0.00000
433 -0.0051 0.00000
434 0.0002 0.00000
435 0.0156 0.00000
436 0.0232 0.00000
437 0.0540 0.00000
438 0.0445 0.00000
439 0.0153 0.00000
440 -0.0270 0.00000
441 0.0347 0.00000
442 -0.0003 0.00000
443 0.0090 0.00000
444 0.0525 0.00000
445 0.0353 0.00000
446 0.0024 0.00000
447 -0.0089 0.00000
448 0.0326 0.00000
449 0.1181 0.00000
450 0.0257 0.00000
451 0.0620 0.00000
452 0.0063 0.00000
453 -0.0177 0.00000
454 -0.1251 0.00000
455 0.0123 0.00000
456 0.0321 0.00000
457 0.0136 0.00000
458 0.0233 0.00000
459 0.0368 0.00000
460 0.0450 0.00000
461 0.0528 0.00000
462 0.0107 0.00000
463 0.0133 0.00000
464 0.0356 0.00000
465 0.0224 0.00000
466 0.0232 0.00000
467 0.0689 0.00000
468 -0.0027 0.00000
469 0.0113 0.00000
470 0.0183 0.00000
471 0.0087 0.00000
472 -0.0082 0.00000
473 0.0366 0.00000
474 0.0027 0.00000
475 0.0427 0.00000
476 0.0544 0.00000
477 0.0400 0.00000
478 0.0946 0.00000
479 0.0437 0.00000
480 0.0342 0.00000
481 0.0263 0.00000
482 0.0171 0.00000
483 0.0200 0.00000
484 0.0133 0.00000
485 0.0223 0.00000
486 0.0139 0.00000
487 0.0636 0.00000
488 -0.0167 0.00000
489 0.0375 0.00000
490 0.0301 0.00000
491 0.0216 0.00000
492 0.0339 0.00000
493 0.0188 0.00000
494 0.0375 0.00000
495 0.0156 0.00000
496 0.0220 0.00000
497 0.0769 0.00000
498 0.0376 0.00000
499 0.0167 0.00000
500 0.0090 0.00000
501 0.0095 0.00000
502 0.0544 0.00000
503 -0.0226 0.00000
504 0.0414 0.00000
505 0.0221 0.00000
506 0.0143 0.00000
507 0.0462 0.00000
508 0.0614 0.00000
509 0.0325 0.00000
510 0.0403 0.00000
511 0.0057 0.00000
512 -0.0201 0.00000
513 0.0437 0.00000
514 0.0254 0.00000
515 0.0239 0.00000
516 0.0275 0.00000
517 0.0359 0.00000
518 0.0606 0.00000
519 0.0505 0.00000
520 0.0225 0.00000
521 0.0131 0.00000
522 -0.0211 0.00000
523 0.0239 0.00000
524 0.0462 0.00000
525 -0.0202 0.00000
526 0.0102 0.00000
527 -0.0015 0.00000
528 0.0323 0.00000
529 0.0689 0.00000
530 0.0228 0.00000
531 0.0181 0.00000
532 -0.0036 0.00000
533 -0.0452 0.00000
534 -0.0322 0.00000
535 0.0264 0.00000
536 0.0056 0.00000
537 -0.1256 0.00000
538 -0.0070 0.00000
539 0.0206 0.00000
540 -0.0942 0.00000
541 -0.0247 0.00000
542 0.0013 0.00000
543 -0.0675 0.00000
544 0.0367 0.00000
545 0.1352 0.00000
546 0.0176 0.00000
547 0.0331 0.00000
548 0.0103 0.00000
549 -0.0604 0.00000
550 0.0545 0.00000
551 0.0465 0.00000
552 -0.0293 0.00000
553 0.0133 0.00000
554 -0.0508 0.00000
555 -0.0420 0.00000
556 -0.0736 0.00000
557 -0.0147 0.00000
558 -0.0152 0.00000
559 -0.0586 0.00000
560 0.0353 0.00000
561 -0.0263 0.00000
562 -0.0193 0.00000
563 0.0496 0.00000
564 0.0149 0.00000
565 -0.0088 0.00000
566 0.0265 0.00000
567 -0.0015 0.00000
568 -0.0139 0.00000
569 0.0061 0.00000
570 0.0439 0.00000
571 -0.0365 0.00000
572 -0.0638 0.00000
573 0.0757 0.00000
574 0.0195 0.00000
575 -0.0650 0.00000
576 -0.0433 0.00000
577 0.0526 0.00000
578 0.0384 0.00000
579 0.0248 0.00000
580 0.0601 0.00000
581 0.0020 0.00000
582 0.0148 0.00000
583 0.0112 0.00000
584 0.0308 0.00000
585 0.0277 0.00000
586 0.0239 0.00000
587 0.0409 0.00000
588 0.0332 0.00000
589 -0.0435 0.00000
590 0.0237 0.00000
591 0.0005 0.00000
592 -0.0027 0.00000
593 -0.0219 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1491 0.00000
597 -0.1482 0.00000
598 0.0116 0.00000
599 0.0679 0.00000
600 0.0134 0.00000
601 0.0297 0.00000
602 0.0280 0.00000
603 -0.0480 0.00000
604 0.0216 0.00000
605 0.0472 0.00000
606 -0.0325 0.00000
607 -0.0865 0.00000
608 -0.0097 0.00000
609 0.0354 0.00000
610 -0.0104 0.00000
611 -0.0261 0.00000
612 0.0322 0.00000
613 0.0387 0.00000
614 0.0029 0.00000
615 -0.0312 0.00000
616 0.0115 0.00000
617 -0.0702 0.00000
618 -0.0267 0.00000
619 -0.1029 0.00000
620 0.0021 0.00000
621 0.0095 0.00000
622 0.0156 0.00000
623 -0.0378 0.00000
624 0.0312 0.00000
625 -0.0006 0.00000
626 -0.0926 0.00000
627 -0.0484 0.00000
628 0.0702 0.00000
629 0.1043 0.00000
630 0.0877 0.00000
631 0.0248 0.00000
632 0.0474 0.00000
633 0.0076 0.00000
634 0.1050 0.00000
635 0.0538 0.00000
636 -0.0125 0.00000
637 0.0670 0.00000
638 0.0373 0.00000
639 0.0423 0.00000
640 0.0381 0.00000
641 0.1165 0.00000
642 -0.0581 0.00000
643 0.1312 0.00000
644 0.0164 0.00000
645 0.0336 0.00000
646 0.0704 0.00000
647 0.0161 0.00000
648 -0.0943 0.00000
649 -0.0044 0.00000
650 -0.0011 0.00000
651 0.0282 0.00000
652 -0.0517 0.00000
653 -0.0188 0.00000
654 0.0225 0.00000
655 -0.0342 0.00000
656 -0.0050 0.00000
657 -0.0175 0.00000
658 -0.0357 0.00000
659 -0.0192 0.00000
660 -0.0153 0.00000
661 0.0372 0.00000
662 -0.0108 0.00000
663 0.0353 0.00000
664 0.0592 0.00000
665 0.0273 0.00000
666 0.0123 0.00000
667 -0.0193 0.00000
668 -0.0324 0.00000
669 -0.0116 0.00000
670 -0.0577 0.00000
671 -0.0166 0.00000
672 -0.0166 0.00000
673 -0.0203 0.00000
674 0.0103 0.00000
675 0.0367 0.00000
676 0.0447 0.00000
677 0.0724 0.00000
678 0.0047 0.00000
679 0.0139 0.00000
680 0.0422 0.00000
681 0.0384 0.00000
682 0.0227 0.00000
683 0.0024 0.00000
684 0.0711 0.00000
685 0.0323 0.00000
686 0.0187 0.00000
687 -0.0482 0.00000
688 -0.0088 0.00000
689 0.0256 0.00000
690 0.0216 0.00000
691 0.0073 0.00000
692 0.0026 0.00000
693 -0.0233 0.00000
694 -0.0163 0.00000
695 0.0085 0.00000
696 0.0304 0.00000
697 -0.0141 0.00000
698 -0.0305 0.00000
699 0.0296 0.00000
700 -0.0036 0.00000
701 0.0881 0.00000
702 0.0114 0.00000
703 0.0130 0.00000
704 -0.0048 0.00000
705 -0.0044 0.00000
706 0.0870 0.00000
707 0.0308 0.00000
708 -0.0225 0.00000
709 0.0134 0.00000
710 -0.0121 0.00000
711 0.0246 0.00000
712 -0.0017 0.00000
713 0.0096 0.00000
714 0.0312 0.00000
715 0.0119 0.00000
716 -0.0240 0.00000
717 0.0009 0.00000
718 -0.0054 0.00000
719 0.0132 0.00000
720 -0.0068 0.00000
721 -0.0423 0.00000
722 -0.0042 0.00000
723 0.0073 0.00000
724 -0.0150 0.00000
725 -0.0218 0.00000
726 0.0045 0.00000
727 0.0284 0.00000
728 0.0148 0.00000
729 -0.0531 0.00000
730 0.0710 0.00000
731 0.0155 0.00000
732 0.0024 0.00000
733 -0.0133 0.00000
734 -0.0659 0.00000
735 -0.0959 0.00000
736 0.0361 0.00000
737 -0.0019 0.00000
738 -0.0118 0.00000
739 0.0121 0.00000
740 0.0701 0.00000
741 0.0358 0.00000
742 -0.0331 0.00000
743 -0.0357 0.00000
744 0.0035 0.00000
745 -0.0259 0.00000
746 -0.0247 0.00000
747 0.0195 0.00000
748 0.0481 0.00000
749 -0.0430 0.00000
750 -0.0589 0.00000
751 -0.0905 0.00000
752 0.0447 0.00000
753 -0.0386 0.00000
754 -0.0035 0.00000
755 -0.0946 0.00000
756 0.0084 0.00000
757 0.0250 0.00000
758 0.0029 0.00000
759 -0.0059 0.00000
760 -0.0012 0.00000
761 0.0026 0.00000
762 -0.0127 0.00000
763 0.0188 0.00000
764 -0.0671 0.00000
765 0.0391 0.00000
766 -0.0669 0.00000
767 0.0097 0.00000
768 0.0331 0.00000
769 0.0120 0.00000
770 0.0093 0.00000
771 -0.0035 0.00000
772 0.0107 0.00000
773 0.0137 0.00000
774 -0.0276 0.00000
775 -0.0135 0.00000
776 0.0203 0.00000
777 -0.0156 0.00000
778 0.0340 0.00000
779 0.0206 0.00000
780 0.0256 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0203 0.00000
5 0.0245 0.00000
6 0.0155 0.00000
7 -0.0056 0.00000
8 0.0141 0.00000
9 0.0383 0.00000
10 0.0305 0.00000
11 -0.0732 0.00000
12 0.0446 0.00000
13 -0.0344 0.00000
14 -0.0553 0.00000
15 -0.0742 0.00000
16 0.1242 0.00000
17 0.0363 0.00000
18 0.0216 0.00000
19 -0.0063 0.00000
20 -0.1172 0.00000
21 -0.0186 0.00000
22 -0.0116 0.00000
23 0.0304 0.00000
24 0.0940 0.00000
25 0.0420 0.00000
26 0.0793 0.00000
27 0.1034 0.00000
28 -0.0022 0.00000
29 -0.0174 0.00000
30 0.0371 0.00000
31 0.0265 0.00000
32 0.0622 0.00000
33 0.0266 0.00000
34 0.0258 0.00000
35 0.0202 0.00000
36 0.0176 0.00000
37 0.0056 0.00000
38 0.0356 0.00000
39 0.0388 0.00000
40 0.0117 0.00000
41 0.0148 0.00000
42 0.0017 0.00000
43 0.0275 0.00000
44 0.0102 0.00000
45 0.0379 0.00000
46 0.0391 0.00000
47 0.0615 0.00000
48 0.0370 0.00000
49 -0.0032 0.00000
50 0.0730 0.00000
51 0.0503 0.00000
52 0.0421 0.00000
53 0.0131 0.00000
54 0.0195 0.00000
55 0.0271 0.00000
56 0.0342 0.00000
57 -0.0271 0.00000
58 0.0026 0.00000
59 0.0902 0.00000
60 -0.0043 0.00000
61 -0.0029 0.00000
62 0.1144 0.00000
63 0.0409 0.00000
64 0.0340 0.00000
65 0.0284 0.00000
66 -0.0005 0.00000
67 0.1853 0.00000
68 0.0074 0.00000
69 0.0258 0.00000
70 0.0282 0.00000
71 0.0502 0.00000
72 0.0354 0.00000
73 0.0236 0.00000
74 0.0107 0.00000
75 -0.0102 0.00000
76 0.1163 0.00000
77 0.0530 0.00000
78 0.0225 0.00000
79 0.0879 0.00000
80 -0.0026 0.00000
81 0.0655 0.00000
82 0.1265 0.00000
83 0.0259 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2258 0.00000
89 0.0276 0.00000
90 -0.0535 0.00000
91 -0.2041 0.00000
92 -0.1508 0.00000
93 0.0656 0.00000
94 0.0423 0.00000
95 0.2095 0.00000
96 0.3826 0.00000
97 0.0049 0.00000
98 0.0103 0.00000
99 0.0659 0.00000
100 0.0179 0.00000
101 -0.0005 0.00000
102 0.0481 0.00000
103 -0.0061 0.00000
104 0.3017 0.00000
105 -0.0175 0.00000
106 0.0637 0.00000
107 0.0136 0.00000
108 -0.0053 0.00000
109 0.0906 0.00000
110 0.0177 0.00000
111 0.0086 0.00000
112 0.0415 0.00000
113 0.0396 0.00000
114 -0.0864 0.00000
115 -0.0370 0.00000
116 0.0148 0.00000
117 -0.0273 0.00000
118 0.2458 0.00000
119 0.0985 0.00000
120 0.1808 0.00000
121 0.0684 0.00000
122 -0.1768 0.00000
123 0.3735 0.00000
124 0.5625 0.00000
125 -0.0882 0.00000
126 -0.0196 0.00000
127 0.0010 0.00000
128 -0.0194 0.00000
129 0.4268 0.00000
130 -0.0032 0.00000
131 0.0281 0.00000
132 0.0415 0.00000
133 0.0059 0.00000
134 -0.0397 0.00000
135 0.0086 0.00000
136 -0.1085 0.00000
137 0.0147 0.00000
138 -0.0105 0.00000
139 0.0101 0.00000
140 0.0270 0.00000
141 -0.1602 0.00000
142 0.0226 0.00000
143 0.0233 0.00000
144 0.0363 0.00000
145 0.0302 0.00000
146 0.0249 0.00000
147 0.0153 0.00000
148 -0.0472 0.00000
149 0.0041 0.00000
150 -0.0350 0.00000
151 0.0244 0.00000
152 0.0820 0.00000
153 -0.0400 0.00000
154 0.0451 0.00000
155 0.0439 0.00000
156 0.0119 0.00000
157 0.0103 0.00000
158 0.0782 0.00000
159 0.0670 0.00000
160 0.0379 0.00000
161 0.0339 0.00000
162 0.0234 0.00000
163 0.0184 0.00000
164 0.0183 0.00000
165 0.0459 0.00000
166 0.0376 0.00000
167 0.0269 0.00000
168 0.0337 0.00000
169 0.0324 0.00000
170 0.0013 0.00000
171 0.0436 0.00000
172 0.0283 0.00000
173 -0.0041 0.00000
174 0.0100 0.00000
175 0.0160 0.00000
176 -0.0282 0.00000
177 0.0213 0.00000
178 0.0091 0.00000
179 0.0410 0.00000
180 0.0360 0.00000
181 0.0664 0.00000
182 0.0044 0.00000
183 -0.0105 0.00000
184 -0.0427 0.00000
185 -0.0926 0.00000
186 -0.0371 0.00000
187 0.0299 0.00000
188 0.0360 0.00000
189 -0.0141 0.00000
190 0.0673 0.00000
191 0.0275 0.00000
192 0.0248 0.00000
193 0.0530 0.00000
194 0.0765 0.00000
195 0.0838 0.00000
196 0.0239 0.00000
197 0.0264 0.00000
198 0.0981 0.00000
199 -0.0042 0.00000
200 0.0302 0.00000
201 -0.0014 0.00000
202 0.0176 0.00000
203 -0.0317 0.00000
204 0.0054 0.00000
205 -0.0421 0.00000
206 0.0161 0.00000
207 0.0084 0.00000
208 0.0053 0.00000
209 -0.0153 0.00000
210 0.0376 0.00000
211 -0.0652 0.00000
212 0.0195 0.00000
213 0.0489 0.00000
214 0.0832 0.00000
215 0.0631 0.00000
216 0.0514 0.00000
217 0.0434 0.00000
218 0.0678 0.00000
219 0.0549 0.00000
220 0.0417 0.00000
221 0.0177 0.00000
222 0.0290 0.00000
223 0.0003 0.00000
224 0.1752 0.00000
225 0.0746 0.00000
226 0.0493 0.00000
227 -0.0128 0.00000
228 0.0136 0.00000
229 0.0324 0.00000
230 0.0556 0.00000
231 -0.2299 0.00000
232 -0.0167 0.00000
233 -0.0198 0.00000
234 -0.0206 0.00000
235 -0.5042 0.00000
236 -0.0483 0.00000
237 -0.0631 0.00000
238 -0.3455 0.00000
239 -0.0355 0.00000
240 -0.1562 0.00000
241 -0.1146 0.00000
242 -0.0294 0.00000
243 -0.0505 0.00000
244 0.0094 0.00000
245 0.0202 0.00000
246 -0.0226 0.00000
247 -0.0138 0.00000
248 -0.0172 0.00000
249 -0.0474 0.00000
250 0.0074 0.00000
251 -0.0292 0.00000
252 0.0941 0.00000
253 -0.0221 0.00000
254 -0.0617 0.00000
255 -0.0306 0.00000
256 0.0254 0.00000
257 -0.0038 0.00000
258 0.0364 0.00000
259 0.0113 0.00000
260 -0.1453 0.00000
261 -0.0296 0.00000
262 0.0229 0.00000
263 0.0411 0.00000
264 -0.0436 0.00000
265 0.0015 0.00000
266 -0.0503 0.00000
267 -0.0028 0.00000
268 0.0147 0.00000
269 -0.0455 0.00000
270 0.0007 0.00000
271 0.0018 0.00000
272 -0.0129 0.00000
273 0.0016 0.00000
274 -0.0069 0.00000
275 -0.0694 0.00000
276 -0.0316 0.00000
277 -0.0145 0.00000
278 -0.0496 0.00000
279 -0.0856 0.00000
280 -0.0068 0.00000
281 0.0310 0.00000
282 0.0102 0.00000
283 -0.0144 0.00000
284 -0.0142 0.00000
285 0.0205 0.00000
286 0.0782 0.00000
287 0.0315 0.00000
288 -0.0136 0.00000
289 0.0144 0.00000
290 0.0391 0.00000
291 0.0336 0.00000
292 0.0281 0.00000
293 -0.0100 0.00000
294 0.0385 0.00000
295 0.0314 0.00000
296 -0.0106 0.00000
297 0.2414 0.00000
298 0.0272 0.00000
299 0.0680 0.00000
300 0.0265 0.00000
301 0.0172 0.00000
302 0.0302 0.00000
303 0.0234 0.00000
304 0.1031 0.00000
305 0.0846 0.00000
306 -0.0003 0.00000
307 0.0339 0.00000
308 0.0567 0.00000
309 0.0834 0.00000
310 0.0291 0.00000
311 0.0034 0.00000
312 -0.0013 0.00000
313 0.0451 0.00000
314 -0.0095 0.00000
315 0.0602 0.00000
316 -0.0315 0.00000
317 0.0118 0.00000
318 0.0556 0.00000
319 0.0721 0.00000
320 -0.0167 0.00000
321 0.0238 0.00000
322 0.1054 0.00000
323 -0.0133 0.00000
324 -0.0279 0.00000
325 -0.0293 0.00000
326 -0.0224 0.00000
327 0.0156 0.00000
328 -0.0092 0.00000
329 0.0384 0.00000
330 0.0438 0.00000
331 -0.0224 0.00000
332 0.0079 0.00000
333 0.0015 0.00000
334 -0.1560 0.00000
335 -0.0562 0.00000
336 -0.0431 0.00000
337 0.0326 0.00000
338 0.0247 0.00000
339 -0.0435 0.00000
340 0.0051 0.00000
341 0.0119 0.00000
342 -0.0108 0.00000
343 0.0115 0.00000
344 0.0149 0.00000
345 0.0414 0.00000
346 -0.0029 0.00000
347 -0.0037 0.00000
348 -0.0163 0.00000
349 0.0769 0.00000
350 0.0243 0.00000
351 -0.0196 0.00000
352 0.0280 0.00000
353 0.0561 0.00000
354 -0.0660 0.00000
355 0.0018 0.00000
356 0.0497 0.00000
357 0.0573 0.00000
358 0.0038 0.00000
359 0.0461 0.00000
360 0.0100 0.00000
361 0.0082 0.00000
362 0.0071 0.00000
363 -0.0139 0.00000
364 -0.0029 0.00000
365 -0.1302 0.00000
366 -0.0049 0.00000
367 -0.0048 0.00000
368 0.0035 0.00000
369 0.0178 0.00000
370 0.0073 0.00000
371 -0.0176 0.00000
372 0.0236 0.00000
373 0.0233 0.00000
374 -0.0572 0.00000
375 0.0478 0.00000
376 -0.1426 0.00000
377 -0.0044 0.00000
378 -0.0038 0.00000
379 0.0109 0.00000
380 0.0427 0.00000
381 0.0650 0.00000
382 -0.0206 0.00000
383 -0.0346 0.00000
384 0.0301 0.00000
385 0.0190 0.00000
386 0.0843 0.00000
387 0.0158 0.00000
388 -0.0148 0.00000
389 0.0607 0.00000
390 -0.0347 0.00000
391 0.0270 0.00000
392 0.0262 0.00000
393 0.0618 0.00000
394 0.0133 0.00000
395 0.0425 0.00000
396 0.0785 0.00000
397 0.0269 0.00000
398 0.0074 0.00000
399 0.0211 0.00000
400 0.0119 0.00000
401 0.0107 0.00000
402 -0.0105 0.00000
403 -0.0015 0.00000
404 0.1057 0.00000
405 0.0247 0.00000
406 0.0751 0.00000
407 0.0093 0.00000
408 0.0514 0.00000
409 0.0475 0.00000
410 0.0601 0.00000
411 -0.0339 0.00000
412 -0.0113 0.00000
413 0.0481 0.00000
414 0.0169 0.00000
415 0.0249 0.00000
416 0.0234 0.00000
417 0.0674 0.00000
418 0.0267 0.00000
419 0.0899 0.00000
420 0.0163 0.00000
421 0.0667 0.00000
422 -0.0137 0.00000
423 0.0032 0.00000
424 0.0258 0.00000
425 0.0155 0.00000
426 -0.0326 0.00000
427 -0.0102 0.00000
428 0.0121 0.00000
429 -0.0115 0.00000
430 0.0274 0.00000
431 0.0229 0.00000
432 0.0390 0.00000
433 0.0362 0.00000
434 0.0298 0.00000
435 0.0102 0.00000
436 0.0178 0.00000
437 0.0361 0.00000
438 -0.0038 0.00000
439 0.0161 0.00000
440 0.0114 0.00000
441 0.0463 0.00000
442 0.0193 0.00000
443 0.0501 0.00000
444 -0.0025 0.00000
445 0.0319 0.00000
446 0.0302 0.00000
447 -0.0280 0.00000
448 0.0318 0.00000
449 -0.0021 0.00000
450 0.0355 0.00000
451 -0.0333 0.00000
452 0.0310 0.00000
453 0.0228 0.00000
454 0.0451 0.00000
455 0.0436 0.00000
456 0.0117 0.00000
457 0.0281 0.00000
458 0.0066 0.00000
459 -0.0177 0.00000
460 0.0195 0.00000
461 0.0038 0.00000
462 -0.0132 0.00000
463 0.0298 0.00000
464 0.0425 0.00000
465 0.0185 0.00000
466 0.0280 0.00000
467 -0.0034 0.00000
468 0.0214 0.00000
469 0.0245 0.00000
470 0.0180 0.00000
471 0.0177 0.00000
472 0.0505 0.00000
473 0.0384 0.00000
474 0.0507 0.00000
475 0.0773 0.00000
476 0.0062 0.00000
477 0.0917 0.00000
478 0.0101 0.00000
479 -0.0172 0.00000
480 0.0499 0.00000
481 0.0555 0.00000
482 0.0631 0.00000
483 -0.0033 0.00000
484 -0.0308 0.00000
485 0.0439 0.00000
486 0.0206 0.00000
487 0.0295 0.00000
488 0.0264 0.00000
489 0.0197 0.00000
490 0.0767 0.00000
491 0.0753 0.00000
492 0.0183 0.00000
493 0.0371 0.00000
494 0.0467 0.00000
495 0.0262 0.00000
496 0.0073 0.00000
497 0.0194 0.00000
498 0.0303 0.00000
499 0.0341 0.00000
500 -0.0103 0.00000
501 0.0138 0.00000
502 0.0570 0.00000
503 0.0246 0.00000
504 0.0315 0.00000
505 0.0212 0.00000
506 0.0466 0.00000
507 0.0091 0.00000
508 0.0222 0.00000
509 0.0276 0.00000
510 0.0282 0.00000
511 0.0151 0.00000
512 0.0679 0.00000
513 0.0249 0.00000
514 -0.0095 0.00000
515 0.0288 0.00000
516 0.0394 0.00000
517 0.0127 0.00000
518 0.0553 0.00000
519 -0.0472 0.00000
520 0.0041 0.00000
521 0.0264 0.00000
522 0.0505 0.00000
523 -0.0208 0.00000
524 -0.0254 0.00000
525 0.0102 0.00000
526 0.0301 0.00000
527 0.0214 0.00000
528 0.0503 0.00000
529 0.0378 0.00000
530 0.0256 0.00000
531 0.0296 0.00000
532 0.0676 0.00000
533 0.0175 0.00000
534 -0.0890 0.00000
535 -0.0358 0.00000
536 0.0288 0.00000
537 0.0301 0.00000
538 -0.2166 0.00000
539 -0.0452 0.00000
540 0.0362 0.00000
541 0.0273 0.00000
542 0.0295 0.00000
543 0.0134 0.00000
544 0.0467 0.00000
545 0.0045 0.00000
546 0.0490 0.00000
547 -0.0273 0.00000
548 -0.0801 0.00000
549 0.0498 0.00000
550 0.0371 0.00000
551 -0.0499 0.00000
552 0.0134 0.00000
553 0.0181 0.00000
554 -0.0136 0.00000
555 0.0230 0.00000
556 -0.0897 0.00000
557 -0.1013 0.00000
558 0.0248 0.00000
559 0.0033 0.00000
560 0.0099 0.00000
561 -0.0332 0.00000
562 0.0154 0.00000
563 -0.0363 0.00000
564 -0.0438 0.00000
565 0.0133 0.00000
566 -0.0318 0.00000
567 -0.0176 0.00000
568 0.0199 0.00000
569 0.0169 0.00000
570 -0.0000 0.00000
571 0.0180 0.00000
572 -0.0082 0.00000
573 0.0550 0.00000
574 -0.0038 0.00000
575 0.0073 0.00000
576 0.0414 0.00000
577 0.0475 0.00000
578 -0.0314 0.00000
579 0.0020 0.00000
580 0.0709 0.00000
581 -0.0240 0.00000
582 0.0136 0.00000
583 0.0401 0.00000
584 0.0306 0.00000
585 0.0230 0.00000
586 0.0212 0.00000
587 0.0367 0.00000
588 0.0350 0.00000
589 -0.0428 0.00000
590 0.0229 0.00000
591 0.0029 0.00000
592 -0.0065 0.00000
593 -0.0219 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1492 0.00000
597 -0.1483 0.00000
598 0.0077 0.00000
599 0.0757 0.00000
600 0.0230 0.00000
601 0.0203 0.00000
602 0.0110 0.00000
603 -0.0063 0.00000
604 -0.0112 0.00000
605 0.0066 0.00000
606 0.0039 0.00000
607 -0.0185 0.00000
608 -0.0555 0.00000
609 -0.0809 0.00000
610 -0.0291 0.00000
611 0.0599 0.00000
612 0.0366 0.00000
613 0.0089 0.00000
614 -0.0075 0.00000
615 -0.0024 0.00000
616 0.0344 0.00000
617 0.0051 0.00000
618 0.0258 0.00000
619 -0.0097 0.00000
620 0.0235 0.00000
621 -0.1286 0.00000
622 -0.0547 0.00000
623 -0.0375 0.00000
624 -0.0097 0.00000
625 -0.0193 0.00000
626 0.0104 0.00000
627 0.1399 0.00000
628 -0.0148 0.00000
629 -0.0376 0.00000
630 0.1542 0.00000
631 0.0446 0.00000
632 -0.0720 0.00000
633 0.0096 0.00000
634 0.0268 0.00000
635 0.0293 0.00000
636 0.1561 0.00000
637 -0.2047 0.00000
638 0.0491 0.00000
639 0.0091 0.00000
640 -0.0130 0.00000
641 -0.0186 0.00000
642 -0.0417 0.00000
643 0.3239 0.00000
644 0.0779 0.00000
645 0.0673 0.00000
646 0.0309 0.00000
647 -0.0111 0.00000
648 0.0314 0.00000
649 0.0089 0.00000
650 -0.0080 0.00000
651 0.0302 0.00000
652 0.0484 0.00000
653 -0.0133 0.00000
654 0.0105 0.00000
655 -0.0838 0.00000
656 -0.0121 0.00000
657 0.0987 0.00000
658 0.0246 0.00000
659 -0.0229 0.00000
660 -0.0423 0.00000
661 0.0924 0.00000
662 -0.0299 0.00000
663 0.0350 0.00000
664 0.0465 0.00000
665 -0.0186 0.00000
666 0.0319 0.00000
667 0.0065 0.00000
668 -0.0823 0.00000
669 0.0358 0.00000
670 -0.0137 0.00000
671 -0.0078 0.00000
672 -0.0191 0.00000
673 -0.0099 0.00000
674 -0.0092 0.00000
675 -0.0311 0.00000
676 0.0399 0.00000
677 0.0241 0.00000
678 -0.0515 0.00000
679 0.0155 0.00000
680 -0.0120 0.00000
681 -0.0489 0.00000
682 -0.0218 0.00000
683 0.0466 0.00000
684 -0.0121 0.00000
685 0.0430 0.00000
686 0.0135 0.00000
687 0.0669 0.00000
688 -0.0389 0.00000
689 0.0002 0.00000
690 0.0324 0.00000
691 0.0218 0.00000
692 0.0070 0.00000
693 -0.0280 0.00000
694 0.0379 0.00000
695 -0.0063 0.00000
696 0.0081 0.00000
697 0.1331 0.00000
698 0.0338 0.00000
699 0.0370 0.00000
700 0.0289 0.00000
701 0.0314 0.00000
702 0.0188 0.00000
703 -0.0215 0.00000
704 0.0272 0.00000
705 0.0056 0.00000
706 -0.0376 0.00000
707 -0.0457 0.00000
708 0.0645 0.00000
709 0.0201 0.00000
710 0.0103 0.00000
711 0.0069 0.00000
712 0.0322 0.00000
713 -0.1056 0.00000
714 0.0275 0.00000
715 0.0304 0.00000
716 0.0271 0.00000
717 0.0001 0.00000
718 0.0101 0.00000
719 -0.0762 0.00000
720 0.0241 0.00000
721 0.0050 0.00000
722 0.0251 0.00000
723 0.0350 0.00000
724 -0.0600 0.00000
725 -0.0338 0.00000
726 0.0052 0.00000
727 -0.0797 0.00000
728 0.0790 0.00000
729 -0.0067 0.00000
730 0.0149 0.00000
731 -0.0306 0.00000
732 0.0267 0.00000
733 0.0009 0.00000
734 -0.0209 0.00000
735 0.0272 0.00000
736 0.0181 0.00000
737 0.0147 0.00000
738 -0.0858 0.00000
739 0.0319 0.00000
740 -0.0305 0.00000
741 0.0093 0.00000
742 0.0138 0.00000
743 -0.0104 0.00000
744 0.0330 0.00000
745 -0.0383 0.00000
746 0.0353 0.00000
747 -0.0100 0.00000
748 0.0664 0.00000
749 -0.0115 0.00000
750 -0.0319 0.00000
751 0.0185 0.00000
752 0.0020 0.00000
753 -0.0221 0.00000
754 -0.0383 0.00000
755 -0.0105 0.00000
756 -0.0583 0.00000
757 -0.0014 0.00000
758 0.0086 0.00000
759 0.0267 0.00000
760 0.0183 0.00000
761 0.0261 0.00000
762 0.0097 0.00000
763 0.0057 0.00000
764 0.0330 0.00000
765 -0.0789 0.00000
766 -0.0515 0.00000
767 -0.1710 0.00000
768 0.0187 0.00000
769 -0.0331 0.00000
770 -0.0078 0.00000
771 -0.0685 0.00000
772 -0.1212 0.00000
773 -0.0117 0.00000
774 0.0038 0.00000
775 0.0398 0.00000
776 0.0334 0.00000
777 0.0329 0.00000
778 -0.0265 0.00000
779 0.0506 0.00000
780 0.0048 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0205 0.00000
5 0.0245 0.00000
6 0.0158 0.00000
7 -0.0059 0.00000
8 0.0145 0.00000
9 0.0381 0.00000
10 0.0306 0.00000
11 -0.0735 0.00000
12 0.0448 0.00000
13 -0.0344 0.00000
14 -0.0555 0.00000
15 -0.0744 0.00000
16 0.1325 0.00000
17 0.0204 0.00000
18 0.0402 0.00000
19 -0.0262 0.00000
20 -0.1099 0.00000
21 -0.0187 0.00000
22 -0.0062 0.00000
23 0.0254 0.00000
24 0.0649 0.00000
25 0.0625 0.00000
26 0.1277 0.00000
27 0.0615 0.00000
28 0.0032 0.00000
29 -0.0279 0.00000
30 0.0283 0.00000
31 0.0384 0.00000
32 0.0731 0.00000
33 0.0255 0.00000
34 0.0293 0.00000
35 0.0188 0.00000
36 -0.0022 0.00000
37 0.0320 0.00000
38 0.0285 0.00000
39 0.0118 0.00000
40 0.0346 0.00000
41 0.0181 0.00000
42 -0.0030 0.00000
43 0.0276 0.00000
44 0.0379 0.00000
45 -0.0019 0.00000
46 0.0822 0.00000
47 0.0328 0.00000
48 0.0375 0.00000
49 0.0432 0.00000
50 0.0065 0.00000
51 0.0449 0.00000
52 0.0617 0.00000
53 0.0123 0.00000
54 0.0409 0.00000
55 0.0135 0.00000
56 0.0352 0.00000
57 -0.0268 0.00000
58 0.0003 0.00000
59 0.0055 0.00000
60 0.0984 0.00000
61 0.0448 0.00000
62 -0.0142 0.00000
63 0.0587 0.00000
64 0.0809 0.00000
65 0.0224 0.00000
66 0.0005 0.00000
67 0.0191 0.00000
68 0.1832 0.00000
69 0.0153 0.00000
70 0.0500 0.00000
71 0.0298 0.00000
72 0.0354 0.00000
73 0.0258 0.00000
74 0.0096 0.00000
75 -0.0079 0.00000
76 0.1083 0.00000
77 0.0558 0.00000
78 0.0295 0.00000
79 0.0826 0.00000
80 -0.0031 0.00000
81 0.0656 0.00000
82 0.1264 0.00000
83 0.0259 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2257 0.00000
89 0.0296 0.00000
90 -0.0587 0.00000
91 -0.2127 0.00000
92 -0.1439 0.00000
93 0.0805 0.00000
94 0.0108 0.00000
95 0.3047 0.00000
96 0.2943 0.00000
97 0.0007 0.00000
98 0.0207 0.00000
99 0.0799 0.00000
100 0.0131 0.00000
101 -0.0083 0.00000
102 0.0873 0.00000
103 -0.0140 0.00000
104 0.3096 0.00000
105 -0.0180 0.00000
106 0.0361 0.00000
107 -0.0140 0.00000
108 0.0612 0.00000
109 0.0163 0.00000
110 0.0112 0.00000
111 0.0277 0.00000
112 0.0341 0.00000
113 0.1146 0.00000
114 -0.0077 0.00000
115 -0.1206 0.00000
116 -0.0082 0.00000
117 -0.0761 0.00000
118 0.2413 0.00000
119 0.0522 0.00000
120 0.1696 0.00000
121 0.1278 0.00000
122 -0.1159 0.00000
123 0.0290 0.00000
124 0.8500 0.00000
125 -0.0559 0.00000
126 -0.0271 0.00000
127 0.0098 0.00000
128 -0.0159 0.00000
129 0.3916 0.00000
130 0.0389 0.00000
131 0.0513 0.00000
132 -0.0221 0.00000
133 0.0360 0.00000
134 -0.0455 0.00000
135 0.0087 0.00000
136 -0.0881 0.00000
137 -0.0182 0.00000
138 0.0024 0.00000
139 0.0107 0.00000
140 0.0223 0.00000
141 -0.1594 0.00000
142 0.0213 0.00000
143 0.0254 0.00000
144 0.0369 0.00000
145 0.0291 0.00000
146 0.0266 0.00000
147 0.0147 0.00000
148 -0.0604 0.00000
149 0.0251 0.00000
150 -0.0322 0.00000
151 0.0354 0.00000
152 -0.0516 0.00000
153 0.0547 0.00000
154 0.0488 0.00000
155 0.0692 0.00000
156 0.0400 0.00000
157 0.0320 0.00000
158 0.0221 0.00000
159 0.0568 0.00000
160 0.0588 0.00000
161 0.0332 0.00000
162 0.0319 0.00000
163 0.0183 0.00000
164 0.0143 0.00000
165 0.0080 0.00000
166 0.0416 0.00000
167 0.0032 0.00000
168 0.0134 0.00000
169 0.0129 0.00000
170 0.0463 0.00000
171 0.0323 0.00000
172 0.0261 0.00000
173 0.0067 0.00000
174 0.0622 0.00000
175 0.0375 0.00000
176 -0.0062 0.00000
177 0.0254 0.00000
178 -0.0083 0.00000
179 0.0127 0.00000
180 0.0225 0.00000
181 -0.0326 0.00000
182 -0.0239 0.00000
183 0.0247 0.00000
184 0.0805 0.00000
185 -0.1558 0.00000
186 0.0333 0.00000
187 0.0683 0.00000
188 0.0050 0.00000
189 0.0166 0.00000
190 0.0313 0.00000
191 -0.0129 0.00000
192 0.0676 0.00000
193 0.0067 0.00000
194 0.0294 0.00000
195 0.1590 0.00000
196 0.0201 0.00000
197 0.0186 0.00000
198 0.0668 0.00000
199 -0.0084 0.00000
200 0.0146 0.00000
201 0.0140 0.00000
202 -0.0040 0.00000
203 -0.0501 0.00000
204 0.0081 0.00000
205 0.0137 0.00000
206 0.0056 0.00000
207 0.0019 0.00000
208 0.0034 0.00000
209 0.0501 0.00000
210 -0.0734 0.00000
211 0.0447 0.00000
212 0.0029 0.00000
213 0.0397 0.00000
214 0.0287 0.00000
215 0.0948 0.00000
216 0.0713 0.00000
217 0.0552 0.00000
218 0.0472 0.00000
219 0.0380 0.00000
220 0.0342 0.00000
221 0.0169 0.00000
222 0.0448 0.00000
223 0.0511 0.00000
224 0.1352 0.00000
225 0.0898 0.00000
226 0.0148 0.00000
227 -0.0026 0.00000
228 0.0151 0.00000
229 0.0348 0.00000
230 0.0482 0.00000
231 -0.2308 0.00000
232 -0.0197 0.00000
233 -0.0186 0.00000
234 -0.0245 0.00000
235 -0.4215 0.00000
236 -0.1257 0.00000
237 -0.1256 0.00000
238 -0.2677 0.00000
239 -0.0212 0.00000
240 -0.1448 0.00000
241 -0.1592 0.00000
242 -0.0195 0.00000
243 -0.0148 0.00000
244 0.0152 0.00000
245 -0.0437 0.00000
246 -0.0313 0.00000
247 0.0052 0.00000
248 0.0065 0.00000
249 -0.0629 0.00000
250 -0.0018 0.00000
251 -0.0403 0.00000
252 0.1835 0.00000
253 -0.1569 0.00000
254 -0.0134 0.00000
255 -0.0504 0.00000
256 0.0149 0.00000
257 -0.0022 0.00000
258 0.0361 0.00000
259 0.0191 0.00000
260 -0.0689 0.00000
261 0.0267 0.00000
262 -0.0318 0.00000
263 -0.0115 0.00000
264 -0.0104 0.00000
265 -0.0110 0.00000
266 -0.1081 0.00000
267 0.0187 0.00000
268 -0.0599 0.00000
269 0.0348 0.00000
270 -0.0173 0.00000
271 0.0100 0.00000
272 -0.0400 0.00000
273 0.0583 0.00000
274 -0.0050 0.00000
275 0.0341 0.00000
276 -0.0301 0.00000
277 -0.0120 0.00000
278 -0.1299 0.00000
279 0.0001 0.00000
280 -0.0233 0.00000
281 0.0000 0.00000
282 -0.0253 0.00000
283 0.0006 0.00000
284 0.0048 0.00000
285 0.0154 0.00000
286 0.0028 0.00000
287 -0.0052 0.00000
288 -0.0239 0.00000
289 0.0899 0.00000
290 -0.0043 0.00000
291 0.0466 0.00000
292 0.0435 0.00000
293 -0.0081 0.00000
294 0.0865 0.00000
295 -0.0122 0.00000
296 0.0843 0.00000
297 0.0179 0.00000
298 0.0111 0.00000
299 0.2135 0.00000
300 0.0358 0.00000
301 0.0030 0.00000
302 -0.0028 0.00000
303 0.0996 0.00000
304 -0.0238 0.00000
305 0.0820 0.00000
306 0.0845 0.00000
307 0.0030 0.00000
308 0.1090 0.00000
309 -0.0037 0.00000
310 0.0322 0.00000
311 0.0330 0.00000
312 0.0012 0.00000
313 0.0434 0.00000
314 0.0284 0.00000
315 0.0191 0.00000
316 0.0377 0.00000
317 0.1103 0.00000
318 0.0358 0.00000
319 -0.0157 0.00000
320 -0.0291 0.00000
321 0.0439 0.00000
322 0.0407 0.00000
323 -0.0133 0.00000
324 0.0490 0.00000
325 0.0327 0.00000
326 -0.0064 0.00000
327 0.0049 0.00000
328 -0.0173 0.00000
329 0.0231 0.00000
330 -0.0144 0.00000
331 -0.0540 0.00000
332 0.0142 0.00000
333 -0.0622 0.00000
334 -0.0074 0.00000
335 -0.0521 0.00000
336 -0.0017 0.00000
337 -0.0009 0.00000
338 -0.0458 0.00000
339 -0.0601 0.00000
340 0.0122 0.00000
341 0.0191 0.00000
342 -0.0571 0.00000
343 -0.0103 0.00000
344 -0.0085 0.00000
345 0.0784 0.00000
346 0.0348 0.00000
347 0.0341 0.00000
348 -0.0176 0.00000
349 0.0048 0.00000
350 0.0008 0.00000
351 -0.0040 0.00000
352 0.0296 0.00000
353 -0.1348 0.00000
354 0.1834 0.00000
355 -0.0008 0.00000
356 -0.0573 0.00000
357 0.0283 0.00000
358 0.0116 0.00000
359 0.0718 0.00000
360 0.0054 0.00000
361 0.0241 0.00000
362 -0.0929 0.00000
363 0.0240 0.00000
364 0.0231 0.00000
365 -0.0316 0.00000
366 -0.0320 0.00000
367 -0.0505 0.00000
368 0.0074 0.00000
369 0.0371 0.00000
370 -0.0257 0.00000
371 0.0503 0.00000
372 0.0061 0.00000
373 0.0050 0.00000
374 0.0190 0.00000
375 -0.0018 0.00000
376 0.0487 0.00000
377 0.0208 0.00000
378 -0.0200 0.00000
379 -0.0016 0.00000
380 0.0220 0.00000
381 0.0003 0.00000
382 -0.0083 0.00000
383 0.0060 0.00000
384 -0.0926 0.00000
385 0.0470 0.00000
386 -0.0200 0.00000
387 0.0158 0.00000
388 0.1028 0.00000
389 0.0275 0.00000
390 0.0398 0.00000
391 0.0166 0.00000
392 -0.0276 0.00000
393 0.0418 0.00000
394 0.0669 0.00000
395 0.0355 0.00000
396 0.0344 0.00000
397 -0.0008 0.00000
398 0.0727 0.00000
399 -0.0199 0.00000
400 0.0294 0.00000
401 0.0040 0.00000
402 0.0008 0.00000
403 0.0360 0.00000
404 0.0410 0.00000
405 0.0066 0.00000
406 0.0224 0.00000
407 -0.0265 0.00000
408 0.0949 0.00000
409 0.0417 0.00000
410 0.0250 0.00000
411 0.0511 0.00000
412 0.0162 0.00000
413 0.0299 0.00000
414 0.0402 0.00000
415 0.0469 0.00000
416 0.0691 0.00000
417 0.0301 0.00000
418 0.0258 0.00000
419 0.0827 0.00000
420 0.0342 0.00000
421 0.0012 0.00000
422 0.0197 0.00000
423 -0.0172 0.00000
424 0.0229 0.00000
425 0.0131 0.00000
426 -0.0122 0.00000
427 0.0153 0.00000
428 0.0247 0.00000
429 0.0082 0.00000
430 -0.0227 0.00000
431 0.0070 0.00000
432 -0.0022 0.00000
433 0.0061 0.00000
434 0.0024 0.00000
435 -0.0052 0.00000
436 0.0072 0.00000
437 0.0348 0.00000
438 0.0739 0.00000
439 0.0493 0.00000
440 0.0091 0.00000
441 0.0244 0.00000
442 0.0524 0.00000
443 0.0425 0.00000
444 0.0039 0.00000
445 0.0181 0.00000
446 0.0274 0.00000
447 0.0125 0.00000
448 0.0550 0.00000
449 0.0284 0.00000
450 0.0153 0.00000
451 0.0196 0.00000
452 -0.0169 0.00000
453 -0.0392 0.00000
454 0.0225 0.00000
455 0.0509 0.00000
456 0.0099 0.00000
457 -0.0052 0.00000
458 0.0216 0.00000
459 0.0249 0.00000
460 0.0180 0.00000
461 0.0268 0.00000
462 0.0217 0.00000
463 0.0278 0.00000
464 0.0220 0.00000
465 0.0696 0.00000
466 0.0178 0.00000
467 -0.0183 0.00000
468 0.0193 0.00000
469 0.0315 0.00000
470 0.0162 0.00000
471 0.0442 0.00000
472 0.0230 0.00000
473 0.0464 0.00000
474 0.0284 0.00000
475 0.0220 0.00000
476 0.0087 0.00000
477 0.0440 0.00000
478 0.0303 0.00000
479 0.0386 0.00000
480 0.0054 0.00000
481 0.0132 0.00000
482 0.0362 0.00000
483 0.0424 0.00000
484 0.0212 0.00000
485 0.0280 0.00000
486 0.0421 0.00000
487 0.0249 0.00000
488 0.0361 0.00000
489 0.0312 0.00000
490 0.0371 0.00000
491 0.0126 0.00000
492 0.0316 0.00000
493 0.0271 0.00000
494 0.0218 0.00000
495 0.0329 0.00000
496 0.0459 0.00000
497 0.0612 0.00000
498 0.0535 0.00000
499 0.0377 0.00000
500 0.0232 0.00000
501 0.0386 0.00000
502 0.0235 0.00000
503 0.0024 0.00000
504 0.0219 0.00000
505 0.0185 0.00000
506 0.0078 0.00000
507 0.0385 0.00000
508 0.0136 0.00000
509 0.0062 0.00000
510 0.0330 0.00000
511 -0.0078 0.00000
512 0.0226 0.00000
513 -0.0037 0.00000
514 0.0685 0.00000
515 -0.0191 0.00000
516 0.0391 0.00000
517 0.0294 0.00000
518 0.0467 0.00000
519 0.0276 0.00000
520 0.0197 0.00000
521 -0.0178 0.00000
522 -0.0004 0.00000
523 0.0541 0.00000
524 0.0202 0.00000
525 0.0310 0.00000
526 0.0720 0.00000
527 -0.0013 0.00000
528 0.0371 0.00000
529 0.0152 0.00000
530 0.0313 0.00000
531 0.0460 0.00000
532 -0.0526 0.00000
533 -0.0197 0.00000
534 0.0177 0.00000
535 -0.0644 0.00000
536 0.0133 0.00000
537 0.0234 0.00000
538 -0.1009 0.00000
539 0.0304 0.00000
540 -0.0078 0.00000
541 0.0030 0.00000
542 -0.1042 0.00000
543 0.0593 0.00000
544 0.0123 0.00000
545 -0.0072 0.00000
546 0.0190 0.00000
547 -0.0167 0.00000
548 0.0101 0.00000
549 0.0042 0.00000
550 0.0474 0.00000
551 -0.0491 0.00000
552 -0.0224 0.00000
553 0.0571 0.00000
554 -0.0059 0.00000
555 0.0047 0.00000
556 -0.1076 0.00000
557 -0.0949 0.00000
558 -0.0880 0.00000
559 0.0550 0.00000
560 0.0298 0.00000
561 -0.0045 0.00000
562 0.0338 0.00000
563 0.0271 0.00000
564 0.0259 0.00000
565 -0.0316 0.00000
566 -0.0179 0.00000
567 0.0092 0.00000
568 0.0361 0.00000
569 -0.0039 0.00000
570 0.0093 0.00000
571 -0.0006 0.00000
572 0.0056 0.00000
573 -0.0778 0.00000
574 -0.0204 0.00000
575 0.0553 0.00000
576 0.0173 0.00000
577 0.0623 0.00000
578 -0.0220 0.00000
579 0.0349 0.00000
580 0.0327 0.00000
581 0.0021 0.00000
582 0.0021 0.00000
583 0.0117 0.00000
584 0.0452 0.00000
585 0.0213 0.00000
586 0.0223 0.00000
587 0.0383 0.00000
588 0.0364 0.00000
589 -0.0435 0.00000
590 0.0307 0.00000
591 -0.0079 0.00000
592 -0.0006 0.00000
593 -0.0230 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1493 0.00000
597 -0.1488 0.00000
598 -0.0064 0.00000
599 0.0835 0.00000
600 0.0350 0.00000
601 0.0309 0.00000
602 -0.0410 0.00000
603 -0.0093 0.00000
604 0.0632 0.00000
605 0.0132 0.00000
606 0.0163 0.00000
607 -0.0629 0.00000
608 -0.0042 0.00000
609 -0.1147 0.00000
610 -0.0144 0.00000
611 0.0007 0.00000
612 0.0044 0.00000
613 0.0137 0.00000
614 -0.0062 0.00000
615 -0.0096 0.00000
616 0.0109 0.00000
617 0.0340 0.00000
618 0.0145 0.00000
619 -0.0205 0.00000
620 0.0116 0.00000
621 0.0343 0.00000
622 -0.0962 0.00000
623 0.0237 0.00000
624 -0.0840 0.00000
625 -0.0934 0.00000
626 0.0042 0.00000
627 -0.0180 0.00000
628 0.0367 0.00000
629 -0.0294 0.00000
630 0.2137 0.00000
631 0.1621 0.00000
632 0.0039 0.00000
633 0.0105 0.00000
634 0.0033 0.00000
635 -0.0093 0.00000
636 0.0405 0.00000
637 0.0300 0.00000
638 -0.0901 0.00000
639 -0.0493 0.00000
640 0.1439 0.00000
641 0.0434 0.00000
642 -0.0132 0.00000
643 0.0403 0.00000
644 0.3866 0.00000
645 -0.0016 0.00000
646 0.0378 0.00000
647 0.0442 0.00000
648 -0.0686 0.00000
649 0.0116 0.00000
650 -0.0515 0.00000
651 -0.0439 0.00000
652 0.0404 0.00000
653 0.0178 0.00000
654 0.0042 0.00000
655 -0.0328 0.00000
656 -0.0201 0.00000
657 0.0053 0.00000
658 0.0186 0.00000
659 -0.0048 0.00000
660 -0.0123 0.00000
661 0.0245 0.00000
662 -0.0320 0.00000
663 -0.0220 0.00000
664 0.0072 0.00000
665 -0.0028 0.00000
666 0.0110 0.00000
667 -0.0006 0.00000
668 -0.0003 0.00000
669 0.0380 0.00000
670 -0.0066 0.00000
671 0.0144 0.00000
672 -0.0108 0.00000
673 0.0148 0.00000
674 -0.1448 0.00000
675 0.0297 0.00000
676 0.0094 0.00000
677 -0.0033 0.00000
678 0.0056 0.00000
679 0.0505 0.00000
680 0.0195 0.00000
681 0.0101 0.00000
682 0.0316 0.00000
683 0.0173 0.00000
684 -0.0778 0.00000
685 0.0100 0.00000
686 0.0078 0.00000
687 0.0046 0.00000
688 0.0309 0.00000
689 -0.0010 0.00000
690 0.0792 0.00000
691 0.0196 0.00000
692 -0.0082 0.00000
693 0.0664 0.00000
694 -0.0277 0.00000
695 0.0245 0.00000
696 0.0065 0.00000
697 0.0626 0.00000
698 0.0243 0.00000
699 0.0114 0.00000
700 -0.0148 0.00000
701 0.0029 0.00000
702 0.0374 0.00000
703 0.0038 0.00000
704 0.0068 0.00000
705 -0.0019 0.00000
706 0.0209 0.00000
707 -0.0182 0.00000
708 0.0355 0.00000
709 -0.0308 0.00000
710 0.0291 0.00000
711 0.0015 0.00000
712 -0.0573 0.00000
713 0.0138 0.00000
714 -0.0037 0.00000
715 0.0641 0.00000
716 0.0041 0.00000
717 -0.0081 0.00000
718 0.0144 0.00000
719 0.0182 0.00000
720 -0.0152 0.00000
721 0.0171 0.00000
722 0.0686 0.00000
723 0.0091 0.00000
724 0.0270 0.00000
725 0.0154 0.00000
726 -0.0110 0.00000
727 -0.0476 0.00000
728 -0.0274 0.00000
729 0.0526 0.00000
730 0.1199 0.00000
731 -0.1039 0.00000
732 -0.0111 0.00000
733 0.0269 0.00000
734 0.0018 0.00000
735 -0.0091 0.00000
736 -0.0004 0.00000
737 -0.0134 0.00000
738 0.0156 0.00000
739 -0.0810 0.00000
740 -0.0285 0.00000
741 0.0110 0.00000
742 -0.0676 0.00000
743 -0.0062 0.00000
744 -0.0350 0.00000
745 -0.0625 0.00000
746 0.0133 0.00000
747 -0.0382 0.00000
748 -0.0458 0.00000
749 -0.0158 0.00000
750 -0.0386 0.00000
751 0.0290 0.00000
752 -0.0145 0.00000
753 0.0304 0.00000
754 0.0321 0.00000
755 0.0502 0.00000
756 0.0552 0.00000
757 -0.0610 0.00000
758 -0.0075 0.00000
759 -0.0251 0.00000
760 0.0493 0.00000
761 -0.0065 0.00000
762 0.0175 0.00000
763 0.0422 0.00000
764 -0.0533 0.00000
765 -0.0380 0.00000
766 -0.1017 0.00000
767 0.0039 0.00000
768 -0.0210 0.00000
769 0.0046 0.00000
770 -0.0102 0.00000
771 -0.0111 0.00000
772 -0.0310 0.00000
773 -0.0120 0.00000
774 0.0347 0.00000
775 0.0205 0.00000
776 0.0107 0.00000
777 -0.0472 0.00000
778 0.0035 0.00000
779 0.0094 0.00000
780 0.0120 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0196 0.00000
5 0.0236 0.00000
6 0.0157 0.00000
7 -0.0058 0.00000
8 0.0142 0.00000
9 0.0383 0.00000
10 0.0306 0.00000
11 -0.0733 0.00000
12 0.0446 0.00000
13 -0.0342 0.00000
14 -0.0555 0.00000
15 -0.0742 0.00000
16 0.1351 0.00000
17 0.0114 0.00000
18 0.0399 0.00000
19 0.0036 0.00000
20 -0.1296 0.00000
21 -0.0186 0.00000
22 -0.0105 0.00000
23 0.0344 0.00000
24 0.0717 0.00000
25 0.0560 0.00000
26 0.0837 0.00000
27 0.0986 0.00000
28 -0.0061 0.00000
29 -0.0086 0.00000
30 0.0336 0.00000
31 0.0298 0.00000
32 0.0658 0.00000
33 0.0251 0.00000
34 0.0266 0.00000
35 0.0194 0.00000
36 -0.0072 0.00000
37 0.0399 0.00000
38 0.0286 0.00000
39 0.0117 0.00000
40 0.0333 0.00000
41 0.0131 0.00000
42 0.0020 0.00000
43 0.0275 0.00000
44 0.0247 0.00000
45 0.0139 0.00000
46 0.0834 0.00000
47 0.0265 0.00000
48 0.0446 0.00000
49 0.0269 0.00000
50 0.0066 0.00000
51 0.0506 0.00000
52 0.0697 0.00000
53 0.0139 0.00000
54 0.0119 0.00000
55 0.0418 0.00000
56 0.0341 0.00000
57 -0.0269 0.00000
58 -0.0009 0.00000
59 0.0164 0.00000
60 0.0888 0.00000
61 -0.0208 0.00000
62 0.0936 0.00000
63 0.0410 0.00000
64 0.0557 0.00000
65 0.0268 0.00000
66 -0.0038 0.00000
67 0.0298 0.00000
68 0.1609 0.00000
69 0.0262 0.00000
70 0.0285 0.00000
71 0.0498 0.00000
72 0.0354 0.00000
73 0.0237 0.00000
74 0.0108 0.00000
75 -0.0094 0.00000
76 0.1152 0.00000
77 0.0526 0.00000
78 0.0229 0.00000
79 0.0883 0.00000
80 -0.0030 0.00000
81 0.0658 0.00000
82 0.1265 0.00000
83 0.0259 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2258 0.00000
89 0.0276 0.00000
90 -0.0536 0.00000
91 -0.2050 0.00000
92 -0.1486 0.00000
93 0.0653 0.00000
94 0.0489 0.00000
95 0.2043 0.00000
96 0.3548 0.00000
97 0.0227 0.00000
98 0.0020 0.00000
99 0.0713 0.00000
100 0.0313 0.00000
101 -0.0007 0.00000
102 0.0435 0.00000
103 0.0301 0.00000
104 0.2800 0.00000
105 -0.0244 0.00000
106 0.0504 0.00000
107 0.0130 0.00000
108 0.0292 0.00000
109 0.0417 0.00000
110 0.0193 0.00000
111 0.0078 0.00000
112 0.1155 0.00000
113 0.0105 0.00000
114 -0.0713 0.00000
115 -0.0438 0.00000
116 -0.0340 0.00000
117 -0.0460 0.00000
118 0.2787 0.00000
119 0.0335 0.00000
120 0.2498 0.00000
121 0.0521 0.00000
122 -0.1623 0.00000
123 0.0381 0.00000
124 0.8709 0.00000
125 -0.0506 0.00000
126 -0.0324 0.00000
127 0.0105 0.00000
128 -0.0209 0.00000
129 0.4394 0.00000
130 0.0046 0.00000
131 0.0216 0.00000
132 0.0214 0.00000
133 0.0109 0.00000
134 -0.0424 0.00000
135 0.0073 0.00000
136 -0.1074 0.00000
137 0.0143 0.00000
138 -0.0093 0.00000
139 0.0138 0.00000
140 0.0206 0.00000
141 -0.1613 0.00000
142 0.0228 0.00000
143 0.0248 0.00000
144 0.0370 0.00000
145 0.0302 0.00000
146 0.0249 0.00000
147 0.0152 0.00000
148 -0.0571 0.00000
149 0.0203 0.00000
150 -0.0429 0.00000
151 0.0286 0.00000
152 0.0766 0.00000
153 -0.0388 0.00000
154 0.0612 0.00000
155 0.0631 0.00000
156 -0.0047 0.00000
157 0.0350 0.00000
158 0.0302 0.00000
159 0.0519 0.00000
160 0.0390 0.00000
161 0.0457 0.00000
162 0.0107 0.00000
163 0.0212 0.00000
164 0.0380 0.00000
165 0.0387 0.00000
166 0.0064 0.00000
167 0.0737 0.00000
168 0.0064 0.00000
169 0.0312 0.00000
170 0.0029 0.00000
171 0.0380 0.00000
172 0.0222 0.00000
173 0.0506 0.00000
174 -0.0059 0.00000
175 -0.0009 0.00000
176 0.0012 0.00000
177 -0.0246 0.00000
178 0.0405 0.00000
179 0.0229 0.00000
180 0.0585 0.00000
181 0.0542 0.00000
182 -0.0235 0.00000
183 -0.0338 0.00000
184 0.0028 0.00000
185 -0.1346 0.00000
186 0.0224 0.00000
187 0.0323 0.00000
188 0.0247 0.00000
189 -0.0023 0.00000
190 0.0578 0.00000
191 0.0166 0.00000
192 0.0380 0.00000
193 0.0384 0.00000
194 0.0753 0.00000
195 0.0881 0.00000
196 0.0388 0.00000
197 0.0135 0.00000
198 0.0766 0.00000
199 0.0107 0.00000
200 0.0255 0.00000
201 -0.0091 0.00000
202 0.0020 0.00000
203 0.0205 0.00000
204 -0.0333 0.00000
205 -0.0137 0.00000
206 -0.0058 0.00000
207 0.0179 0.00000
208 0.0037 0.00000
209 0.0338 0.00000
210 -0.0167 0.00000
211 -0.0396 0.00000
212 0.0126 0.00000
213 0.0571 0.00000
214 0.0464 0.00000
215 0.0761 0.00000
216 0.0760 0.00000
217 0.0633 0.00000
218 0.0522 0.00000
219 0.0363 0.00000
220 0.0478 0.00000
221 0.0152 0.00000
222 0.0297 0.00000
223 0.0040 0.00000
224 0.1688 0.00000
225 0.0769 0.00000
226 0.0428 0.00000
227 -0.0136 0.00000
228 0.0132 0.00000
229 0.0353 0.00000
230 0.0554 0.00000
231 -0.2307 0.00000
232 -0.0183 0.00000
233 -0.0196 0.00000
234 -0.0213 0.00000
235 -0.4609 0.00000
236 -0.0273 0.00000
237 -0.1135 0.00000
238 -0.3871 0.00000
239 -0.0154 0.00000
240 -0.1527 0.00000
241 -0.0960 0.00000
242 -0.0294 0.00000
243 -0.0487 0.00000
244 -0.0186 0.00000
245 0.0254 0.00000
246 -0.0202 0.00000
247 -0.0215 0.00000
248 -0.0023 0.00000
249 -0.0471 0.00000
250 0.0063 0.00000
251 -0.0238 0.00000
252 0.1093 0.00000
253 -0.0705 0.00000
254 0.0131 0.00000
255 -0.0578 0.00000
256 0.0327 0.00000
257 -0.0567 0.00000
258 0.0023 0.00000
259 0.0037 0.00000
260 -0.0269 0.00000
261 -0.0326 0.00000
262 -0.0040 0.00000
263 -0.0108 0.00000
264 0.0397 0.00000
265 -0.1098 0.00000
266 0.0020 0.00000
267 0.0013 0.00000
268 -0.0118 0.00000
269 -0.0060 0.00000
270 0.0230 0.00000
271 -0.0312 0.00000
272 -0.0262 0.00000
273 0.0116 0.00000
274 0.0037 0.00000
275 -0.0731 0.00000
276 -0.0167 0.00000
277 -0.0341 0.00000
278 -0.0920 0.00000
279 -0.0337 0.00000
280 0.0239 0.00000
281 0.0081 0.00000
282 0.0024 0.00000
283 0.0018 0.00000
284 0.0447 0.00000
285 -0.0330 0.00000
286 0.0160 0.00000
287 0.0236 0.00000
288 0.0378 0.00000
289 0.0000 0.00000
290 -0.0075 0.00000
291 0.0226 0.00000
292 0.0548 0.00000
293 -0.0017 0.00000
294 -0.0103 0.00000
295 0.1711 0.00000
296 0.0483 0.00000
297 0.0510 0.00000
298 0.0424 0.00000
299 0.0090 0.00000
300 0.1524 0.00000
301 -0.0220 0.00000
302 0.0881 0.00000
303 0.0201 0.00000
304 0.0348 0.00000
305 0.0029 0.00000
306 0.0616 0.00000
307 0.0767 0.00000
308 0.0511 0.00000
309 0.0914 0.00000
310 -0.0174 0.00000
311 0.0655 0.00000
312 0.0055 0.00000
313 0.0166 0.00000
314 0.0227 0.00000
315 0.0570 0.00000
316 -0.0391 0.00000
317 0.0365 0.00000
318 0.0286 0.00000
319 0.0853 0.00000
320 0.0307 0.00000
321 0.0140 0.00000
322 0.1051 0.00000
323 0.0000 0.00000
324 -0.0813 0.00000
325 -0.0092 0.00000
326 0.0072 0.00000
327 0.0940 0.00000
328 -0.0020 0.00000
329 -0.0110 0.00000
330 -0.0552 0.00000
331 -0.0144 0.00000
332 -0.0316 0.00000
333 -0.0652 0.00000
334 0.0435 0.00000
335 -0.0512 0.00000
336 -0.0195 0.00000
337 -0.0579 0.00000
338 0.0793 0.00000
339 -0.0870 0.00000
340 -0.0315 0.00000
341 -0.0033 0.00000
342 0.0192 0.00000
343 0.0280 0.00000
344 0.0040 0.00000
345 0.0296 0.00000
346 -0.0022 0.00000
347 0.0168 0.00000
348 -0.0722 0.00000
349 -0.0353 0.00000
350 0.0521 0.00000
351 0.0272 0.00000
352 -0.0440 0.00000
353 0.0333 0.00000
354 -0.0263 0.00000
355 0.1078 0.00000
356 -0.0334 0.00000
357 0.0254 0.00000
358 0.0407 0.00000
359 0.0300 0.00000
360 0.0198 0.00000
361 0.0191 0.00000
362 0.0655 0.00000
363 -0.0269 0.00000
364 0.0071 0.00000
365 -0.1587 0.00000
366 0.0066 0.00000
367 -0.0073 0.00000
368 0.0373 0.00000
369 0.0030 0.00000
370 0.0248 0.00000
371 0.0187 0.00000
372 0.0223 0.00000
373 0.0021 0.00000
374 -0.0585 0.00000
375 -0.0301 0.00000
376 0.0415 0.00000
377 -0.0259 0.00000
378 0.0462 0.00000
379 -0.0433 0.00000
380 0.0475 0.00000
381 0.0221 0.00000
382 -0.0305 0.00000
383 0.0528 0.00000
384 0.0029 0.00000
385 -0.0361 0.00000
386 0.0300 0.00000
387 0.0298 0.00000
388 -0.0167 0.00000
389 0.0105 0.00000
390 0.0279 0.00000
391 0.0411 0.00000
392 0.0047 0.00000
393 0.0221 0.00000
394 -0.0088 0.00000
395 0.0331 0.00000
396 0.0204 0.00000
397 0.0476 0.00000
398 0.0252 0.00000
399 0.0194 0.00000
400 0.0430 0.00000
401 0.0425 0.00000
402 0.0150 0.00000
403 0.0210 0.00000
404 0.0501 0.00000
405 0.0272 0.00000
406 0.0679 0.00000
407 0.0749 0.00000
408 0.0244 0.00000
409 0.0328 0.00000
410 -0.0020 0.00000
411 0.0439 0.00000
412 0.0226 0.00000
413 0.0495 0.00000
414 0.0491 0.00000
415 0.0271 0.00000
416 0.0193 0.00000
417 0.0074 0.00000
418 0.0590 0.00000
419 0.0572 0.00000
420 0.0241 0.00000
421 0.0400 0.00000
422 0.0083 0.00000
423 -0.0322 0.00000
424 0.0334 0.00000
425 0.0032 0.00000
426 -0.0394 0.00000
427 0.0081 0.00000
428 -0.0401 0.00000
429 0.0262 0.00000
430 0.0421 0.00000
431 0.0152 0.00000
432 0.0387 0.00000
433 0.0469 0.00000
434 0.0198 0.00000
435 0.0384 0.00000
436 0.0128 0.00000
437 -0.0003 0.00000
438 0.0018 0.00000
439 0.0145 0.00000
440 0.0152 0.00000
441 0.1485 0.00000
442 0.0361 0.00000
443 0.0345 0.00000
444 -0.0349 0.00000
445 -0.0082 0.00000
446 0.0352 0.00000
447 0.0000 0.00000
448 -0.0113 0.00000
449 0.0417 0.00000
450 0.0263 0.00000
451 -0.0087 0.00000
452 0.0130 0.00000
453 -0.0048 0.00000
454 0.0058 0.00000
455 0.0225 0.00000
456 0.0067 0.00000
457 0.0136 0.00000
458 0.0303 0.00000
459 0.0241 0.00000
460 0.0077 0.00000
461 0.0313 0.00000
462 0.0187 0.00000
463 0.0208 0.00000
464 0.0280 0.00000
465 0.0119 0.00000
466 -0.0025 0.00000
467 0.0370 0.00000
468 0.0020 0.00000
469 0.0147 0.00000
470 0.0403 0.00000
471 0.0184 0.00000
472 0.0676 0.00000
473 0.0315 0.00000
474 0.0187 0.00000
475 0.0621 0.00000
476 0.0319 0.00000
477 0.0530 0.00000
478 0.0916 0.00000
479 0.0288 0.00000
480 0.0273 0.00000
481 -0.0078 0.00000
482 0.0212 0.00000
483 0.0611 0.00000
484 0.0322 0.00000
485 0.0073 0.00000
486 0.0518 0.00000
487 0.0202 0.00000
488 0.0026 0.00000
489 0.0117 0.00000
490 0.0545 0.00000
491 0.0231 0.00000
492 0.0135 0.00000
493 0.0205 0.00000
494 0.0189 0.00000
495 0.0428 0.00000
496 0.0315 0.00000
497 0.0090 0.00000
498 0.0149 0.00000
499 0.0199 0.00000
500 0.0050 0.00000
501 0.0145 0.00000
502 0.0327 0.00000
503 0.0776 0.00000
504 0.0038 0.00000
505 0.0229 0.00000
506 0.0248 0.00000
507 0.0110 0.00000
508 -0.0272 0.00000
509 0.0346 0.00000
510 0.0240 0.00000
511 0.0603 0.00000
512 0.0300 0.00000
513 0.0861 0.00000
514 0.0696 0.00000
515 0.0165 0.00000
516 0.0253 0.00000
517 0.0175 0.00000
518 0.0369 0.00000
519 0.0027 0.00000
520 0.1110 0.00000
521 0.0389 0.00000
522 -0.0309 0.00000
523 -0.0320 0.00000
524 -0.0113 0.00000
525 -0.0004 0.00000
526 0.0216 0.00000
527 0.0636 0.00000
528 0.0450 0.00000
529 0.0089 0.00000
530 -0.0453 0.00000
531 0.0284 0.00000
532 0.0760 0.00000
533 -0.0720 0.00000
534 -0.0107 0.00000
535 -0.0365 0.00000
536 0.0341 0.00000
537 -0.0995 0.00000
538 0.0526 0.00000
539 0.0096 0.00000
540 -0.0408 0.00000
541 -0.1935 0.00000
542 0.0158 0.00000
543 0.0578 0.00000
544 0.0396 0.00000
545 0.0681 0.00000
546 0.0238 0.00000
547 -0.0161 0.00000
548 -0.0200 0.00000
549 -0.0011 0.00000
550 0.0579 0.00000
551 0.0484 0.00000
552 0.0339 0.00000
553 -0.0821 0.00000
554 0.0023 0.00000
555 -0.0194 0.00000
556 -0.0010 0.00000
557 -0.1618 0.00000
558 -0.0760 0.00000
559 0.0166 0.00000
560 0.0278 0.00000
561 0.0276 0.00000
562 0.0091 0.00000
563 -0.0273 0.00000
564 0.0200 0.00000
565 -0.0407 0.00000
566 -0.0438 0.00000
567 0.0165 0.00000
568 0.0514 0.00000
569 0.0098 0.00000
570 -0.0137 0.00000
571 -0.0344 0.00000
572 -0.0151 0.00000
573 0.0843 0.00000
574 0.0002 0.00000
575 0.0284 0.00000
576 0.0054 0.00000
577 -0.0325 0.00000
578 0.0236 0.00000
579 0.0233 0.00000
580 0.0261 0.00000
581 0.0476 0.00000
582 -0.0079 0.00000
583 0.0250 0.00000
584 0.0367 0.00000
585 0.0219 0.00000
586 0.0196 0.00000
587 0.0373 0.00000
588 0.0337 0.00000
589 -0.0432 0.00000
590 0.0223 0.00000
591 0.0029 0.00000
592 -0.0047 0.00000
593 -0.0215 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1493 0.00000
597 -0.1484 0.00000
598 0.0080 0.00000
599 0.0593 0.00000
600 0.0287 0.00000
601 0.0310 0.00000
602 0.0215 0.00000
603 0.0049 0.00000
604 0.0041 0.00000
605 0.0079 0.00000
606 -0.0042 0.00000
607 -0.0240 0.00000
608 -0.0697 0.00000
609 -0.0021 0.00000
610 -0.0503 0.00000
611 -0.0252 0.00000
612 -0.0053 0.00000
613 0.0187 0.00000
614 -0.0575 0.00000
615 0.0396 0.00000
616 0.0058 0.00000
617 0.0404 0.00000
618 -0.0223 0.00000
619 0.0713 0.00000
620 -0.0271 0.00000
621 -0.0010 0.00000
622 -0.0112 0.00000
623 0.0500 0.00000
624 -0.0307 0.00000
625 0.0155 0.00000
626 -0.0050 0.00000
627 0.0807 0.00000
628 -0.1604 0.00000
629 0.0954 0.00000
630 -0.0679 0.00000
631 0.0178 0.00000
632 0.1281 0.00000
633 -0.0090 0.00000
634 -0.0681 0.00000
635 -0.0472 0.00000
636 0.0907 0.00000
637 0.0479 0.00000
638 0.0190 0.00000
639 -0.0460 0.00000
640 -0.0261 0.00000
641 -0.0393 0.00000
642 0.1050 0.00000
643 0.2464 0.00000
644 0.0474 0.00000
645 0.0804 0.00000
646 -0.0454 0.00000
647 0.0673 0.00000
648 -0.0156 0.00000
649 -0.0118 0.00000
650 0.0541 0.00000
651 -0.0109 0.00000
652 -0.0022 0.00000
653 -0.1143 0.00000
654 -0.0229 0.00000
655 0.0603 0.00000
656 0.0239 0.00000
657 -0.0028 0.00000
658 0.0980 0.00000
659 0.0084 0.00000
660 0.0171 0.00000
661 0.0378 0.00000
662 0.0126 0.00000
663 -0.0674 0.00000
664 0.0101 0.00000
665 0.0269 0.00000
666 0.0104 0.00000
667 -0.0143 0.00000
668 0.0323 0.00000
669 -0.0224 0.00000
670 0.0849 0.00000
671 0.0219 0.00000
672 -0.1136 0.00000
673 -0.0135 0.00000
674 0.0074 0.00000
675 0.0458 0.00000
676 -0.0008 0.00000
677 -0.0096 0.00000
678 0.0243 0.00000
679 -0.0091 0.00000
680 0.0029 0.00000
681 0.0169 0.00000
682 0.0362 0.00000
683 0.0431 0.00000
684 -0.0002 0.00000
685 0.0169 0.00000
686 -0.0118 0.00000
687 0.0468 0.00000
688 0.0244 0.00000
689 -0.0208 0.00000
690 -0.0121 0.00000
691 0.0356 0.00000
692 0.0462 0.00000
693 0.0452 0.00000
694 -0.0399 0.00000
695 0.0151 0.00000
696 0.0004 0.00000
697 0.0021 0.00000
698 0.0295 0.00000
699 0.0066 0.00000
700 0.0401 0.00000
701 0.0144 0.00000
702 -0.0431 0.00000
703 0.0112 0.00000
704 0.0260 0.00000
705 0.0318 0.00000
706 -0.0356 0.00000
707 0.0177 0.00000
708 0.0105 0.00000
709 -0.0307 0.00000
710 0.0436 0.00000
711 0.0043 0.00000
712 0.0228 0.00000
713 0.0263 0.00000
714 0.0188 0.00000
715 0.0408 0.00000
716 -0.0023 0.00000
717 -0.0715 0.00000
718 -0.0193 0.00000
719 0.0190 0.00000
720 0.0033 0.00000
721 0.0279 0.00000
722 0.0625 0.00000
723 -0.0346 0.00000
724 -0.0030 0.00000
725 -0.0067 0.00000
726 -0.0244 0.00000
727 -0.1105 0.00000
728 0.0672 0.00000
729 -0.0032 0.00000
730 0.0238 0.00000
731 0.0090 0.00000
732 0.0521 0.00000
733 -0.1127 0.00000
734 -0.0032 0.00000
735 -0.0382 0.00000
736 -0.0140 0.00000
737 0.0674 0.00000
738 -0.0035 0.00000
739 0.0180 0.00000
740 0.0033 0.00000
741 -0.0010 0.00000
742 -0.0176 0.00000
743 0.0105 0.00000
744 -0.0256 0.00000
745 0.0142 0.00000
746 -0.0003 0.00000
747 -0.0015 0.00000
748 -0.0571 0.00000
749 -0.0438 0.00000
750 -0.0339 0.00000
751 0.0107 0.00000
752 0.0100 0.00000
753 0.0583 0.00000
754 -0.0810 0.00000
755 -0.0119 0.00000
756 0.0357 0.00000
757 0.0059 0.00000
758 -0.1125 0.00000
759 0.0058 0.00000
760 0.0163 0.00000
761 -0.0334 0.00000
762 0.0840 0.00000
763 0.0009 0.00000
764 -0.0196 0.00000
765 0.0114 0.00000
766 0.0155 0.00000
767 -0.0933 0.00000
768 -0.0411 0.00000
769 -0.0030 0.00000
770 0.0201 0.00000
771 -0.0687 0.00000
772 0.0164 0.00000
773 -0.0175 0.00000
774 -0.0111 0.00000
775 0.0189 0.00000
776 -0.0239 0.00000
777 -0.0065 0.00000
778 -0.0226 0.00000
779 -0.0140 0.00000
780 0.0082 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0212 0.00000
5 0.0253 0.00000
6 0.0157 0.00000
7 -0.0059 0.00000
8 0.0145 0.00000
9 0.0382 0.00000
10 0.0305 0.00000
11 -0.0734 0.00000
12 0.0447 0.00000
13 -0.0343 0.00000
14 -0.0554 0.00000
15 -0.0744 0.00000
16 0.1236 0.00000
17 0.0375 0.00000
18 0.0209 0.00000
19 0.0317 0.00000
20 -0.1568 0.00000
21 -0.0186 0.00000
22 -0.0058 0.00000
23 0.0265 0.00000
24 0.0834 0.00000
25 0.0433 0.00000
26 0.0989 0.00000
27 0.0890 0.00000
28 0.0069 0.00000
29 -0.0283 0.00000
30 0.0364 0.00000
31 0.0236 0.00000
32 0.0723 0.00000
33 0.0263 0.00000
34 0.0254 0.00000
35 0.0201 0.00000
36 0.0180 0.00000
37 0.0042 0.00000
38 0.0353 0.00000
39 0.0408 0.00000
40 0.0118 0.00000
41 0.0161 0.00000
42 0.0011 0.00000
43 0.0270 0.00000
44 0.0008 0.00000
45 0.0353 0.00000
46 0.0494 0.00000
47 0.0621 0.00000
48 0.0370 0.00000
49 0.0189 0.00000
50 0.0649 0.00000
51 0.0440 0.00000
52 0.0311 0.00000
53 0.0126 0.00000
54 0.0363 0.00000
55 0.0157 0.00000
56 0.0356 0.00000
57 -0.0278 0.00000
58 -0.0030 0.00000
59 0.0890 0.00000
60 0.0013 0.00000
61 0.0376 0.00000
62 0.0166 0.00000
63 0.0575 0.00000
64 0.0756 0.00000
65 0.0240 0.00000
66 -0.0019 0.00000
67 0.0449 0.00000
68 0.1609 0.00000
69 0.0156 0.00000
70 0.0500 0.00000
71 0.0303 0.00000
72 0.0354 0.00000
73 0.0260 0.00000
74 0.0062 0.00000
75 -0.0043 0.00000
76 0.1099 0.00000
77 0.0533 0.00000
78 0.0263 0.00000
79 0.0857 0.00000
80 -0.0028 0.00000
81 0.0656 0.00000
82 0.1264 0.00000
83 0.0260 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2257 0.00000
89 0.0303 0.00000
90 -0.0550 0.00000
91 -0.1896 0.00000
92 -0.1826 0.00000
93 0.0741 0.00000
94 0.0143 0.00000
95 0.2554 0.00000
96 0.3648 0.00000
97 0.0198 0.00000
98 0.0162 0.00000
99 0.0596 0.00000
100 0.0079 0.00000
101 0.0021 0.00000
102 0.0540 0.00000
103 -0.0131 0.00000
104 0.3128 0.00000
105 -0.0389 0.00000
106 0.0718 0.00000
107 0.0421 0.00000
108 0.0111 0.00000
109 0.0435 0.00000
110 0.0168 0.00000
111 0.0199 0.00000
112 0.0342 0.00000
113 0.0866 0.00000
114 -0.1121 0.00000
115 -0.0366 0.00000
116 -0.0224 0.00000
117 -0.0008 0.00000
118 0.2193 0.00000
119 0.1181 0.00000
120 0.1577 0.00000
121 0.0341 0.00000
122 -0.1262 0.00000
123 0.1856 0.00000
124 0.6405 0.00000
125 0.0279 0.00000
126 -0.0266 0.00000
127 0.0177 0.00000
128 -0.0184 0.00000
129 0.4237 0.00000
130 0.0090 0.00000
131 0.0416 0.00000
132 -0.0172 0.00000
133 0.0387 0.00000
134 -0.0469 0.00000
135 0.0087 0.00000
136 -0.1093 0.00000
137 0.0109 0.00000
138 -0.0059 0.00000
139 0.0055 0.00000
140 0.0296 0.00000
141 -0.1578 0.00000
142 0.0206 0.00000
143 0.0241 0.00000
144 0.0363 0.00000
145 0.0290 0.00000
146 0.0266 0.00000
147 0.0148 0.00000
148 -0.0571 0.00000
149 0.0152 0.00000
150 -0.0368 0.00000
151 0.0380 0.00000
152 0.0792 0.00000
153 -0.0572 0.00000
154 0.0531 0.00000
155 0.0242 0.00000
156 0.0385 0.00000
157 0.0317 0.00000
158 0.0349 0.00000
159 0.0602 0.00000
160 0.0474 0.00000
161 0.0360 0.00000
162 0.0511 0.00000
163 0.0130 0.00000
164 0.0206 0.00000
165 0.0031 0.00000
166 0.0576 0.00000
167 0.0102 0.00000
168 0.0390 0.00000
169 0.0338 0.00000
170 0.0350 0.00000
171 0.0373 0.00000
172 0.0235 0.00000
173 -0.0007 0.00000
174 -0.0120 0.00000
175 -0.0274 0.00000
176 0.0405 0.00000
177 0.0439 0.00000
178 0.0058 0.00000
179 0.0207 0.00000
180 0.0091 0.00000
181 0.0260 0.00000
182 0.0107 0.00000
183 0.0667 0.00000
184 -0.0270 0.00000
185 -0.1416 0.00000
186 -0.0073 0.00000
187 0.0233 0.00000
188 -0.0184 0.00000
189 0.0340 0.00000
190 0.0602 0.00000
191 0.0175 0.00000
192 0.0247 0.00000
193 0.0650 0.00000
194 0.0864 0.00000
195 0.0723 0.00000
196 0.0546 0.00000
197 0.0169 0.00000
198 0.0705 0.00000
199 -0.0040 0.00000
200 -0.0122 0.00000
201 0.0649 0.00000
202 0.0151 0.00000
203 -0.0465 0.00000
204 -0.0076 0.00000
205 -0.0248 0.00000
206 0.0070 0.00000
207 0.0040 0.00000
208 -0.0260 0.00000
209 0.0364 0.00000
210 -0.0180 0.00000
211 -0.0232 0.00000
212 0.0252 0.00000
213 0.0362 0.00000
214 0.0709 0.00000
215 0.0860 0.00000
216 0.0540 0.00000
217 0.0503 0.00000
218 0.0393 0.00000
219 0.0495 0.00000
220 0.0459 0.00000
221 0.0280 0.00000
222 0.0404 0.00000
223 0.0116 0.00000
224 0.1409 0.00000
225 0.1004 0.00000
226 0.0344 0.00000
227 -0.0087 0.00000
228 0.0182 0.00000
229 0.0326 0.00000
230 0.0493 0.00000
231 -0.2297 0.00000
232 -0.0176 0.00000
233 -0.0182 0.00000
234 -0.0200 0.00000
235 -0.4977 0.00000
236 -0.0137 0.00000
237 -0.1323 0.00000
238 -0.3091 0.00000
239 -0.0853 0.00000
240 -0.0942 0.00000
241 -0.1512 0.00000
242 -0.0248 0.00000
243 -0.0248 0.00000
244 0.0152 0.00000
245 0.0047 0.00000
246 -0.0487 0.00000
247 -0.0051 0.00000
248 0.0108 0.00000
249 -0.0523 0.00000
250 -0.0372 0.00000
251 0.0432 0.00000
252 -0.0010 0.00000
253 0.0223 0.00000
254 -0.0005 0.00000
255 -0.0669 0.00000
256 -0.0091 0.00000
257 0.0155 0.00000
258 0.0236 0.00000
259 0.0042 0.00000
260 -0.0519 0.00000
261 -0.0100 0.00000
262 -0.0211 0.00000
263 -0.0159 0.00000
264 0.0257 0.00000
265 -0.0535 0.00000
266 -0.0827 0.00000
267 0.0011 0.00000
268 0.0195 0.00000
269 -0.0384 0.00000
270 -0.0086 0.00000
271 0.0144 0.00000
272 -0.0451 0.00000
273 0.0271 0.00000
274 -0.0062 0.00000
275 -0.0294 0.00000
276 -0.0372 0.00000
277 0.0370 0.00000
278 -0.1233 0.00000
279 -0.0598 0.00000
280 0.0055 0.00000
281 -0.0163 0.00000
282 0.0034 0.00000
283 -0.0139 0.00000
284 0.0037 0.00000
285 0.0204 0.00000
286 0.0614 0.00000
287 0.0182 0.00000
288 0.0328 0.00000
289 -0.0376 0.00000
290 0.0515 0.00000
291 0.0077 0.00000
292 0.0616 0.00000
293 0.0160 0.00000
294 0.0638 0.00000
295 0.0434 0.00000
296 0.0169 0.00000
297 0.1665 0.00000
298 0.0461 0.00000
299 -0.0120 0.00000
300 0.0354 0.00000
301 0.0248 0.00000
302 0.0991 0.00000
303 0.0610 0.00000
304 0.0568 0.00000
305 0.0253 0.00000
306 0.0958 0.00000
307 0.0465 0.00000
308 0.0009 0.00000
309 0.0292 0.00000
310 -0.0050 0.00000
311 0.0315 0.00000
312 0.0244 0.00000
313 0.0606 0.00000
314 0.0379 0.00000
315 -0.0168 0.00000
316 0.0486 0.00000
317 -0.0011 0.00000
318 0.0209 0.00000
319 0.0346 0.00000
320 0.1360 0.00000
321 0.0142 0.00000
322 -0.0299 0.00000
323 0.0712 0.00000
324 -0.0283 0.00000
325 -0.0206 0.00000
326 0.0013 0.00000
327 -0.0130 0.00000
328 -0.0009 0.00000
329 -0.0038 0.00000
330 0.0273 0.00000
331 -0.0387 0.00000
332 -0.0586 0.00000
333 -0.0230 0.00000
334 -0.1273 0.00000
335 -0.0104 0.00000
336 -0.0391 0.00000
337 0.0545 0.00000
338 0.0041 0.00000
339 0.0195 0.00000
340 -0.0193 0.00000
341 0.0240 0.00000
342 -0.0504 0.00000
343 0.0172 0.00000
344 0.0149 0.00000
345 0.0297 0.00000
346 0.0076 0.00000
347 -0.0519 0.00000
348 0.0666 0.00000
349 0.0358 0.00000
350 0.0786 0.00000
351 -0.0503 0.00000
352 -0.0146 0.00000
353 0.0098 0.00000
354 0.0523 0.00000
355 0.0331 0.00000
356 0.0085 0.00000
357 0.0175 0.00000
358 -0.0514 0.00000
359 0.0503 0.00000
360 0.0093 0.00000
361 0.0313 0.00000
362 0.0023 0.00000
363 -0.0192 0.00000
364 -0.0078 0.00000
365 -0.0460 0.00000
366 -0.0199 0.00000
367 0.0070 0.00000
368 -0.0378 0.00000
369 0.0149 0.00000
370 0.0135 0.00000
371 0.0187 0.00000
372 0.0306 0.00000
373 0.0395 0.00000
374 0.0236 0.00000
375 -0.0396 0.00000
376 0.0012 0.00000
377 -0.0734 0.00000
378 -0.0234 0.00000
379 0.0032 0.00000
380 -0.0231 0.00000
381 -0.0160 0.00000
382 0.0076 0.00000
383 0.0063 0.00000
384 0.0905 0.00000
385 0.0242 0.00000
386 -0.0376 0.00000
387 -0.0060 0.00000
388 -0.0127 0.00000
389 0.0874 0.00000
390 -0.0195 0.00000
391 0.0575 0.00000
392 0.0642 0.00000
393 0.0533 0.00000
394 0.0365 0.00000
395 0.0186 0.00000
396 0.0577 0.00000
397 -0.0044 0.00000
398 0.0136 0.00000
399 0.0154 0.00000
400 0.0132 0.00000
401 0.0134 0.00000
402 0.0368 0.00000
403 0.0092 0.00000
404 0.0008 0.00000
405 0.0164 0.00000
406 0.0695 0.00000
407 0.0936 0.00000
408 0.0036 0.00000
409 0.0479 0.00000
410 0.0060 0.00000
411 0.0876 0.00000
412 0.0090 0.00000
413 0.0215 0.00000
414 0.0141 0.00000
415 0.0290 0.00000
416 0.0278 0.00000
417 0.0113 0.00000
418 0.0675 0.00000
419 0.0620 0.00000
420 0.0796 0.00000
421 0.0045 0.00000
422 0.0563 0.00000
423 0.0053 0.00000
424 0.0136 0.00000
425 0.0007 0.00000
426 -0.0473 0.00000
427 -0.0471 0.00000
428 -0.0063 0.00000
429 0.0131 0.00000
430 0.0342 0.00000
431 0.0250 0.00000
432 0.0299 0.00000
433 0.0219 0.00000
434 0.0495 0.00000
435 -0.0067 0.00000
436 -0.0017 0.00000
437 0.0701 0.00000
438 0.0274 0.00000
439 0.0100 0.00000
440 0.0287 0.00000
441 0.0284 0.00000
442 0.0182 0.00000
443 0.0226 0.00000
444 0.0451 0.00000
445 0.0225 0.00000
446 0.0040 0.00000
447 0.0029 0.00000
448 0.0310 0.00000
449 0.0104 0.00000
450 0.0140 0.00000
451 0.0150 0.00000
452 0.0017 0.00000
453 0.0336 0.00000
454 0.0006 0.00000
455 0.0017 0.00000
456 0.0183 0.00000
457 0.0080 0.00000
458 0.0049 0.00000
459 0.0298 0.00000
460 -0.0059 0.00000
461 0.0234 0.00000
462 0.0341 0.00000
463 0.0428 0.00000
464 0.0204 0.00000
465 0.0215 0.00000
466 -0.0100 0.00000
467 0.0271 0.00000
468 0.0126 0.00000
469 0.0169 0.00000
470 0.0315 0.00000
471 0.0448 0.00000
472 0.0233 0.00000
473 0.0230 0.00000
474 0.0629 0.00000
475 0.0369 0.00000
476 -0.0399 0.00000
477 0.0574 0.00000
478 0.0021 0.00000
479 0.0127 0.00000
480 0.0699 0.00000
481 0.0426 0.00000
482 0.0344 0.00000
483 0.1099 0.00000
484 0.0440 0.00000
485 0.0173 0.00000
486 0.0170 0.00000
487 0.0177 0.00000
488 0.0785 0.00000
489 0.0269 0.00000
490 0.0195 0.00000
491 0.0287 0.00000
492 0.0674 0.00000
493 0.0021 0.00000
494 0.0646 0.00000
495 0.0201 0.00000
496 0.0595 0.00000
497 0.0019 0.00000
498 0.0055 0.00000
499 0.0317 0.00000
500 -0.0006 0.00000
501 0.0158 0.00000
502 0.0775 0.00000
503 0.0220 0.00000
504 0.0434 0.00000
505 0.0129 0.00000
506 -0.0164 0.00000
507 0.0137 0.00000
508 0.0320 0.00000
509 0.0206 0.00000
510 0.0389 0.00000
511 0.0179 0.00000
512 0.0112 0.00000
513 0.0068 0.00000
514 -0.0161 0.00000
515 0.0039 0.00000
516 -0.0525 0.00000
517 0.0424 0.00000
518 0.0268 0.00000
519 0.0384 0.00000
520 -0.0084 0.00000
521 0.0122 0.00000
522 0.0995 0.00000
523 -0.0088 0.00000
524 0.0174 0.00000
525 0.0538 0.00000
526 0.0094 0.00000
527 0.0188 0.00000
528 0.0583 0.00000
529 0.0424 0.00000
530 0.0139 0.00000
531 0.0100 0.00000
532 -0.0259 0.00000
533 0.0415 0.00000
534 -0.1102 0.00000
535 0.0265 0.00000
536 0.0750 0.00000
537 -0.0621 0.00000
538 0.0109 0.00000
539 -0.0383 0.00000
540 0.0086 0.00000
541 0.0110 0.00000
542 0.0047 0.00000
543 0.0396 0.00000
544 0.0560 0.00000
545 0.0523 0.00000
546 0.0078 0.00000
547 0.0265 0.00000
548 -0.2156 0.00000
549 0.0161 0.00000
550 0.0573 0.00000
551 -0.0738 0.00000
552 0.0071 0.00000
553 -0.0018 0.00000
554 0.0239 0.00000
555 -0.0932 0.00000
556 -0.0289 0.00000
557 -0.0708 0.00000
558 -0.0305 0.00000
559 0.0758 0.00000
560 -0.0849 0.00000
561 -0.0260 0.00000
562 -0.0165 0.00000
563 0.0158 0.00000
564 0.0061 0.00000
565 0.0028 0.00000
566 -0.0135 0.00000
567 0.0183 0.00000
568 0.0392 0.00000
569 -0.0380 0.00000
570 0.0181 0.00000
571 -0.0183 0.00000
572 0.0310 0.00000
573 -0.0011 0.00000
574 0.0320 0.00000
575 0.0447 0.00000
576 0.0585 0.00000
577 0.0076 0.00000
578 -0.0333 0.00000
579 -0.0205 0.00000
580 0.0782 0.00000
581 -0.0081 0.00000
582 0.0294 0.00000
583 0.0110 0.00000
584 0.0336 0.00000
585 0.0158 0.00000
586 0.0233 0.00000
587 0.0411 0.00000
588 0.0362 0.00000
589 -0.0434 0.00000
590 0.0313 0.00000
591 -0.0072 0.00000
592 -0.0021 0.00000
593 -0.0231 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1493 0.00000
597 -0.1489 0.00000
598 -0.0075 0.00000
599 0.0859 0.00000
600 0.0541 0.00000
601 0.0078 0.00000
602 -0.0164 0.00000
603 0.0016 0.00000
604 -0.0525 0.00000
605 0.0178 0.00000
606 0.0697 0.00000
607 0.0245 0.00000
608 -0.1344 0.00000
609 0.0176 0.00000
610 -0.0451 0.00000
611 0.0111 0.00000
612 0.0274 0.00000
613 -0.0317 0.00000
614 0.0225 0.00000
615 0.0052 0.00000
616 -0.0265 0.00000
617 -0.0096 0.00000
618 0.0044 0.00000
619 0.0860 0.00000
620 -0.0399 0.00000
621 -0.0225 0.00000
622 0.0154 0.00000
623 -0.1819 0.00000
624 -0.0434 0.00000
625 0.0458 0.00000
626 -0.0006 0.00000
627 0.0537 0.00000
628 -0.0104 0.00000
629 0.0418 0.00000
630 -0.0442 0.00000
631 0.0371 0.00000
632 0.1173 0.00000
633 -0.0376 0.00000
634 0.0190 0.00000
635 -0.0308 0.00000
636 0.1297 0.00000
637 -0.0071 0.00000
638 0.1379 0.00000
639 -0.0170 0.00000
640 0.1967 0.00000
641 0.1396 0.00000
642 -0.0686 0.00000
643 0.0955 0.00000
644 -0.0161 0.00000
645 0.0425 0.00000
646 0.0014 0.00000
647 0.0150 0.00000
648 -0.0148 0.00000
649 0.0201 0.00000
650 0.0107 0.00000
651 0.0164 0.00000
652 -0.0338 0.00000
653 -0.0332 0.00000
654 -0.0154 0.00000
655 -0.0134 0.00000
656 0.0214 0.00000
657 0.0074 0.00000
658 -0.0520 0.00000
659 0.0380 0.00000
660 0.0008 0.00000
661 0.0438 0.00000
662 -0.0251 0.00000
663 -0.0706 0.00000
664 -0.0106 0.00000
665 0.0205 0.00000
666 0.0155 0.00000
667 0.0054 0.00000
668 -0.0530 0.00000
669 0.0663 0.00000
670 0.0264 0.00000
671 -0.0590 0.00000
672 0.0701 0.00000
673 0.0929 0.00000
674 0.0122 0.00000
675 0.0370 0.00000
676 -0.0238 0.00000
677 -0.0171 0.00000
678 0.0113 0.00000
679 0.0189 0.00000
680 -0.0228 0.00000
681 0.0324 0.00000
682 -0.0488 0.00000
683 -0.0174 0.00000
684 -0.0289 0.00000
685 0.0305 0.00000
686 0.0192 0.00000
687 0.0312 0.00000
688 0.0672 0.00000
689 0.0362 0.00000
690 0.0653 0.00000
691 -0.0121 0.00000
692 -0.0276 0.00000
693 0.0181 0.00000
694 -0.0453 0.00000
695 -0.0339 0.00000
696 0.0140 0.00000
697 0.0304 0.00000
698 0.0442 0.00000
699 0.0242 0.00000
700 -0.0005 0.00000
701 0.0059 0.00000
702 0.0203 0.00000
703 -0.0141 0.00000
704 0.0198 0.00000
705 0.0058 0.00000
706 -0.0303 0.00000
707 0.0106 0.00000
708 0.0291 0.00000
709 0.0137 0.00000
710 -0.0391 0.00000
711 -0.0141 0.00000
712 0.0216 0.00000
713 -0.0257 0.00000
714 0.0510 0.00000
715 0.0205 0.00000
716 0.0284 0.00000
717 -0.0463 0.00000
718 -0.0105 0.00000
719 -0.0055 0.00000
720 0.0113 0.00000
721 0.0355 0.00000
722 0.0008 0.00000
723 0.0385 0.00000
724 0.0023 0.00000
725 0.0507 0.00000
726 -0.0604 0.00000
727 -0.0038 0.00000
728 0.0035 0.00000
729 0.0171 0.00000
730 -0.0055 0.00000
731 0.0530 0.00000
732 -0.0020 0.00000
733 0.0183 0.00000
734 -0.0571 0.00000
735 0.0280 0.00000
736 0.0018 0.00000
737 0.0047 0.00000
738 -0.0392 0.00000
739 -0.0282 0.00000
740 -0.0543 0.00000
741 -0.0247 0.00000
742 -0.0104 0.00000
743 -0.0725 0.00000
744 0.0061 0.00000
745 0.0314 0.00000
746 0.0361 0.00000
747 0.0399 0.00000
748 0.0230 0.00000
749 0.0587 0.00000
750 0.0522 0.00000
751 0.0124 0.00000
752 -0.0266 0.00000
753 0.0100 0.00000
754 -0.1112 0.00000
755 0.0148 0.00000
756 -0.0472 0.00000
757 0.0271 0.00000
758 -0.0107 0.00000
759 -0.0045 0.00000
760 -0.0686 0.00000
761 0.0974 0.00000
762 0.0421 0.00000
763 0.0293 0.00000
764 -0.0582 0.00000
765 -0.0388 0.00000
766 -0.0029 0.00000
767 -0.0445 0.00000
768 -0.1022 0.00000
769 -0.0395 0.00000
770 -0.0242 0.00000
771 -0.0210 0.00000
772 0.0691 0.00000
773 0.0155 0.00000
774 0.0151 0.00000
775 -0.0365 0.00000
776 -0.0219 0.00000
777 0.0117 0.00000
778 0.0454 0.00000
779 0.0240 0.00000
780 -0.0070 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.1311 0.00000
2 -0.0754 0.00000
3 -0.0030 0.00000
4 -0.0208 0.00000
5 0.0249 0.00000
6 0.0158 0.00000
7 -0.0059 0.00000
8 0.0145 0.00000
9 0.0382 0.00000
10 0.0305 0.00000
11 -0.0735 0.00000
12 0.0447 0.00000
13 -0.0343 0.00000
14 -0.0554 0.00000
15 -0.0744 0.00000
16 0.1355 0.00000
17 0.0111 0.00000
18 0.0408 0.00000
19 0.0282 0.00000
20 -0.1576 0.00000
21 -0.0186 0.00000
22 -0.0037 0.00000
23 0.0341 0.00000
24 0.0534 0.00000
25 0.0611 0.00000
26 0.1071 0.00000
27 0.0809 0.00000
28 0.0082 0.00000
29 -0.0281 0.00000
30 0.0307 0.00000
31 0.0349 0.00000
32 0.0725 0.00000
33 0.0251 0.00000
34 0.0267 0.00000
35 0.0193 0.00000
36 -0.0066 0.00000
37 0.0386 0.00000
38 0.0284 0.00000
39 0.0118 0.00000
40 0.0347 0.00000
41 0.0155 0.00000
42 -0.0019 0.00000
43 0.0272 0.00000
44 0.0361 0.00000
45 0.0002 0.00000
46 0.0824 0.00000
47 0.0304 0.00000
48 0.0445 0.00000
49 0.0388 0.00000
50 0.0106 0.00000
51 0.0441 0.00000
52 0.0585 0.00000
53 0.0128 0.00000
54 0.0338 0.00000
55 0.0203 0.00000
56 0.0395 0.00000
57 -0.0278 0.00000
58 -0.0043 0.00000
59 0.0131 0.00000
60 0.0905 0.00000
61 0.0337 0.00000
62 0.0210 0.00000
63 0.0359 0.00000
64 0.0826 0.00000
65 0.0252 0.00000
66 -0.0035 0.00000
67 0.0167 0.00000
68 0.1845 0.00000
69 0.0154 0.00000
70 0.0314 0.00000
71 0.0490 0.00000
72 0.0354 0.00000
73 0.0261 0.00000
74 0.0061 0.00000
75 -0.0075 0.00000
76 0.1131 0.00000
77 0.0528 0.00000
78 0.0267 0.00000
79 0.0859 0.00000
80 -0.0031 0.00000
81 0.0657 0.00000
82 0.1264 0.00000
83 0.0259 0.00000
84 -0.0095 0.00000
85 -0.0011 0.00000
86 -0.0316 0.00000
87 -0.0415 0.00000
88 -0.2257 0.00000
89 0.0302 0.00000
90 -0.0551 0.00000
91 -0.1902 0.00000
92 -0.1810 0.00000
93 0.0756 0.00000
94 0.0128 0.00000
95 0.2636 0.00000
96 0.3193 0.00000
97 0.0543 0.00000
98 0.0195 0.00000
99 0.0511 0.00000
100 0.0191 0.00000
101 -0.0058 0.00000
102 0.0560 0.00000
103 0.0008 0.00000
104 0.3132 0.00000
105 -0.0388 0.00000
106 0.0518 0.00000
107 0.0425 0.00000
108 0.0003 0.00000
109 0.0445 0.00000
110 0.0237 0.00000
111 0.0105 0.00000
112 0.1263 0.00000
113 0.0493 0.00000
114 -0.1311 0.00000
115 -0.0352 0.00000
116 -0.0437 0.00000
117 -0.0449 0.00000
118 0.2610 0.00000
119 0.0383 0.00000
120 0.2458 0.00000
121 0.0445 0.00000
122 -0.1356 0.00000
123 0.0125 0.00000
124 0.9085 0.00000
125 -0.0611 0.00000
126 -0.0370 0.00000
127 0.0207 0.00000
128 -0.0144 0.00000
129 0.4208 0.00000
130 -0.0002 0.00000
131 0.0503 0.00000
132 -0.0153 0.00000
133 0.0316 0.00000
134 -0.0434 0.00000
135 0.0075 0.00000
136 -0.1116 0.00000
137 0.0122 0.00000
138 -0.0046 0.00000
139 0.0118 0.00000
140 0.0220 0.00000
141 -0.1591 0.00000
142 0.0211 0.00000
143 0.0254 0.00000
144 0.0370 0.00000
145 0.0290 0.00000
146 0.0266 0.00000
147 0.0148 0.00000
148 -0.0634 0.00000
149 0.0252 0.00000
150 -0.0394 0.00000
151 0.0327 0.00000
152 0.0471 0.00000
153 -0.0218 0.00000
154 0.0648 0.00000
155 0.0699 0.00000
156 -0.0106 0.00000
157 0.0331 0.00000
158 0.0072 0.00000
159 0.0809 0.00000
160 0.0376 0.00000
161 0.0359 0.00000
162 0.0216 0.00000
163 0.0248 0.00000
164 0.0410 0.00000
165 0.0293 0.00000
166 0.0228 0.00000
167 0.0539 0.00000
168 0.0242 0.00000
169 0.0417 0.00000
170 0.0257 0.00000
171 -0.0134 0.00000
172 0.0269 0.00000
173 0.0287 0.00000
174 0.0123 0.00000
175 -0.0122 0.00000
176 0.0065 0.00000
177 0.0180 0.00000
178 0.0492 0.00000
179 -0.0027 0.00000
180 0.0498 0.00000
181 -0.0114 0.00000
182 -0.0064 0.00000
183 0.0483 0.00000
184 -0.0117 0.00000
185 0.0103 0.00000
186 -0.1222 0.00000
187 0.0247 0.00000
188 -0.0081 0.00000
189 0.0129 0.00000
190 0.0568 0.00000
191 0.0006 0.00000
192 0.0671 0.00000
193 0.0337 0.00000
194 0.0626 0.00000
195 0.1069 0.00000
196 0.0412 0.00000
197 0.0120 0.00000
198 0.0515 0.00000
199 0.0049 0.00000
200 0.0112 0.00000
201 0.0254 0.00000
202 0.0220 0.00000
203 -0.0111 0.00000
204 -0.0403 0.00000
205 -0.0021 0.00000
206 0.0091 0.00000
207 0.0121 0.00000
208 0.0148 0.00000
209 0.0080 0.00000
210 -0.0592 0.00000
211 0.0082 0.00000
212 0.0153 0.00000
213 0.0308 0.00000
214 0.0601 0.00000
215 0.1120 0.00000
216 0.0723 0.00000
217 0.0257 0.00000
218 0.0428 0.00000
219 0.0596 0.00000
220 0.0048 0.00000
221 0.0531 0.00000
222 0.0425 0.00000
223 -0.0029 0.00000
224 0.1421 0.00000
225 0.1170 0.00000
226 0.0275 0.00000
227 -0.0092 0.00000
228 0.0183 0.00000
229 0.0348 0.00000
230 0.0491 0.00000
231 -0.2303 0.00000
232 -0.0192 0.00000
233 -0.0184 0.00000
234 -0.0206 0.00000
235 -0.4636 0.00000
236 -0.0195 0.00000
237 -0.0604 0.00000
238 -0.4449 0.00000
239 -0.0765 0.00000
240 -0.0717 0.00000
241 -0.1329 0.00000
242 -0.0173 0.00000
243 -0.0355 0.00000
244 0.0231 0.00000
245 -0.0111 0.00000
246 -0.0378 0.00000
247 -0.0161 0.00000
248 0.0125 0.00000
249 -0.0552 0.00000
250 -0.0405 0.00000
251 -0.0087 0.00000
252 0.1328 0.00000
253 -0.0608 0.00000
254 -0.0356 0.00000
255 -0.0427 0.00000
256 0.0062 0.00000
257 0.0096 0.00000
258 0.0424 0.00000
259 -0.0591 0.00000
260 0.0089 0.00000
261 -0.0043 0.00000
262 -0.0463 0.00000
263 -0.0385 0.00000
264 0.0464 0.00000
265 -0.0093 0.00000
266 -0.1163 0.00000
267 0.0236 0.00000
268 -0.0437 0.00000
269 0.0356 0.00000
270 -0.0217 0.00000
271 -0.0248 0.00000
272 -0.0288 0.00000
273 0.0372 0.00000
274 -0.0260 0.00000
275 0.0083 0.00000
276 -0.0851 0.00000
277 -0.0096 0.00000
278 -0.0274 0.00000
279 -0.0061 0.00000
280 -0.0476 0.00000
281 0.0025 0.00000
282 -0.0159 0.00000
283 0.0033 0.00000
284 0.0136 0.00000
285 -0.0183 0.00000
286 0.0397 0.00000
287 -0.0251 0.00000
288 0.0390 0.00000
289 0.0211 0.00000
290 -0.0288 0.00000
291 0.0475 0.00000
292 0.0512 0.00000
293 0.0774 0.00000
294 0.0718 0.00000
295 0.0741 0.00000
296 0.0184 0.00000
297 0.0374 0.00000
298 0.0841 0.00000
299 0.0352 0.00000
300 0.0047 0.00000
301 0.0755 0.00000
302 0.0560 0.00000
303 0.0268 0.00000
304 0.0591 0.00000
305 0.0434 0.00000
306 0.0964 0.00000
307 -0.0689 0.00000
308 0.0815 0.00000
309 0.0673 0.00000
310 0.0142 0.00000
311 0.0290 0.00000
312 0.0302 0.00000
313 0.0259 0.00000
314 0.0582 0.00000
315 0.0014 0.00000
316 -0.0072 0.00000
317 0.0745 0.00000
318 -0.0055 0.00000
319 0.1101 0.00000
320 0.0758 0.00000
321 -0.0009 0.00000
322 0.0944 0.00000
323 0.0015 0.00000
324 -0.0613 0.00000
325 -0.0422 0.00000
326 0.0014 0.00000
327 0.0256 0.00000
328 0.0036 0.00000
329 0.0309 0.00000
330 -0.0084 0.00000
331 -0.0233 0.00000
332 -0.0612 0.00000
333 0.0413 0.00000
334 -0.1233 0.00000
335 -0.0243 0.00000
336 0.0334 0.00000
337 0.0149 0.00000
338 -0.1126 0.00000
339 -0.0640 0.00000
340 -0.0052 0.00000
341 0.0243 0.00000
342 0.0309 0.00000
343 0.0056 0.00000
344 0.0017 0.00000
345 0.0035 0.00000
346 0.0093 0.00000
347 -0.0324 0.00000
348 -0.0273 0.00000
349 -0.0072 0.00000
350 0.0377 0.00000
351 0.0239 0.00000
352 -0.0214 0.00000
353 0.1263 0.00000
354 -0.0138 0.00000
355 -0.0301 0.00000
356 0.0579 0.00000
357 0.0231 0.00000
358 -0.0049 0.00000
359 0.0079 0.00000
360 0.0211 0.00000
361 0.0051 0.00000
362 0.0239 0.00000
363 0.0529 0.00000
364 -0.0384 0.00000
365 0.0153 0.00000
366 -0.1787 0.00000
367 0.0263 0.00000
368 0.0200 0.00000
369 -0.0152 0.00000
370 0.0524 0.00000
371 0.0304 0.00000
372 0.0250 0.00000
373 -0.0427 0.00000
374 0.0423 0.00000
375 0.0283 0.00000
376 0.0168 0.00000
377 -0.0011 0.00000
378 -0.0092 0.00000
379 -0.0510 0.00000
380 -0.0110 0.00000
381 0.0210 0.00000
382 0.0377 0.00000
383 -0.0297 0.00000
384 -0.0165 0.00000
385 0.0100 0.00000
386 0.0141 0.00000
387 0.0383 0.00000
388 0.0328 0.00000
389 0.0361 0.00000
390 -0.0074 0.00000
391 0.0115 0.00000
392 0.0213 0.00000
393 0.0227 0.00000
394 0.0236 0.00000
395 0.0360 0.00000
396 0.0106 0.00000
397 0.0393 0.00000
398 0.0385 0.00000
399 0.0130 0.00000
400 0.0402 0.00000
401 0.0149 0.00000
402 0.0614 0.00000
403 -0.0540 0.00000
404 0.0314 0.00000
405 0.0668 0.00000
406 0.0065 0.00000
407 0.0472 0.00000
408 0.0502 0.00000
409 0.0357 0.00000
410 0.1038 0.00000
411 0.0191 0.00000
412 0.0220 0.00000
413 0.0223 0.00000
414 0.0605 0.00000
415 0.0182 0.00000
416 0.0224 0.00000
417 0.0348 0.00000
418 0.0432 0.00000
419 0.0255 0.00000
420 0.0358 0.00000
421 -0.0048 0.00000
422 0.0516 0.00000
423 -0.0059 0.00000
424 0.0354 0.00000
425 -0.0453 0.00000
426 0.0116 0.00000
427 0.0075 0.00000
428 -0.0173 0.00000
429 0.0210 0.00000
430 0.0338 0.00000
431 0.0079 0.00000
432 0.0375 0.00000
433 0.0012 0.00000
434 0.0215 0.00000
435 0.0620 0.00000
436 0.0011 0.00000
437 0.0546 0.00000
438 0.0254 0.00000
439 0.0096 0.00000
440 0.0047 0.00000
441 0.0220 0.00000
442 0.0083 0.00000
443 0.0482 0.00000
444 0.0152 0.00000
445 -0.0249 0.00000
446 0.0507 0.00000
447 0.0236 0.00000
448 0.0564 0.00000
449 0.0091 0.00000
450 0.0026 0.00000
451 0.0292 0.00000
452 -0.0553 0.00000
453 0.0157 0.00000
454 0.0382 0.00000
455 0.0268 0.00000
456 0.0141 0.00000
457 0.0258 0.00000
458 -0.0231 0.00000
459 0.0141 0.00000
460 0.0353 0.00000
461 0.0292 0.00000
462 0.0188 0.00000
463 0.0196 0.00000
464 0.0289 0.00000
465 0.0088 0.00000
466 -0.0131 0.00000
467 0.0403 0.00000
468 0.0265 0.00000
469 0.0396 0.00000
470 0.0176 0.00000
471 0.0291 0.00000
472 0.0466 0.00000
473 0.0499 0.00000
474 0.0374 0.00000
475 -0.0126 0.00000
476 0.1088 0.00000
477 0.0510 0.00000
478 0.0352 0.00000
479 -0.0139 0.00000
480 0.0402 0.00000
481 0.0338 0.00000
482 0.0271 0.00000
483 0.0172 0.00000
484 0.0459 0.00000
485 0.0111 0.00000
486 0.0199 0.00000
487 0.0353 0.00000
488 -0.0136 0.00000
489 0.0890 0.00000
490 0.0395 0.00000
491 0.0025 0.00000
492 -0.0074 0.00000
493 0.0286 0.00000
494 0.0658 0.00000
495 0.0169 0.00000
496 0.0482 0.00000
497 0.0332 0.00000
498 0.0131 0.00000
499 0.0435 0.00000
500 0.0338 0.00000
501 0.0028 0.00000
502 0.0320 0.00000
503 0.0192 0.00000
504 0.0410 0.00000
505 0.0185 0.00000
506 0.0255 0.00000
507 0.0066 0.00000
508 0.0065 0.00000
509 -0.0098 0.00000
510 0.0044 0.00000
511 0.0655 0.00000
512 0.0265 0.00000
513 0.0220 0.00000
514 0.0190 0.00000
515 0.0463 0.00000
516 0.0332 0.00000
517 0.0266 0.00000
518 -0.0112 0.00000
519 0.0231 0.00000
520 -0.0433 0.00000
521 0.0497 0.00000
522 0.0618 0.00000
523 0.0166 0.00000
524 0.0199 0.00000
525 0.0274 0.00000
526 0.0250 0.00000
527 0.0467 0.00000
528 0.0810 0.00000
529 0.0478 0.00000
530 -0.0010 0.00000
531 0.0286 0.00000
532 -0.1260 0.00000
533 0.0206 0.00000
534 -0.0152 0.00000
535 0.0142 0.00000
536 -0.0806 0.00000
537 0.0566 0.00000
538 -0.0023 0.00000
539 -0.0229 0.00000
540 -0.0211 0.00000
541 0.0173 0.00000
542 -0.0224 0.00000
543 -0.0065 0.00000
544 0.0100 0.00000
545 0.0814 0.00000
546 -0.0351 0.00000
547 0.0053 0.00000
548 -0.0012 0.00000
549 -0.0540 0.00000
550 0.0295 0.00000
551 0.0468 0.00000
552 -0.0011 0.00000
553 -0.0218 0.00000
554 0.0026 0.00000
555 -0.0777 0.00000
556 0.0149 0.00000
557 -0.0295 0.00000
558 -0.2187 0.00000
559 0.0551 0.00000
560 0.0226 0.00000
561 0.0107 0.00000
562 0.0229 0.00000
563 -0.1236 0.00000
564 0.0459 0.00000
565 -0.0099 0.00000
566 -0.0010 0.00000
567 0.0070 0.00000
568 -0.0085 0.00000
569 0.0532 0.00000
570 0.0161 0.00000
571 -0.0086 0.00000
572 -0.0066 0.00000
573 0.0401 0.00000
574 -0.0015 0.00000
575 0.0122 0.00000
576 0.0259 0.00000
577 0.0797 0.00000
578 -0.0258 0.00000
579 0.0090 0.00000
580 -0.0043 0.00000
581 0.0181 0.00000
582 0.0223 0.00000
583 0.0101 0.00000
584 0.0447 0.00000
585 0.0192 0.00000
586 0.0171 0.00000
587 0.0381 0.00000
588 0.0363 0.00000
589 -0.0436 0.00000
590 0.0312 0.00000
591 -0.0070 0.00000
592 -0.0013 0.00000
593 -0.0226 0.00000
594 -0.0423 0.00000
595 -0.0398 0.00000
596 -0.1494 0.00000
597 -0.1489 0.00000
598 -0.0071 0.00000
599 0.0837 0.00000
600 0.0214 0.00000
601 0.0538 0.00000
602 0.0129 0.00000
603 -0.0057 0.00000
604 -0.0541 0.00000
605 0.0455 0.00000
606 0.0201 0.00000
607 -0.1437 0.00000
608 0.0148 0.00000
609 0.0333 0.00000
610 -0.0123 0.00000
611 -0.0139 0.00000
612 0.0087 0.00000
613 -0.0247 0.00000
614 -0.0278 0.00000
615 0.0361 0.00000
616 0.0120 0.00000
617 -0.0219 0.00000
618 0.0336 0.00000
619 -0.0087 0.00000
620 -0.0020 0.00000
621 0.0300 0.00000
622 0.0236 0.00000
623 -0.0728 0.00000
624 0.0109 0.00000
625 -0.1564 0.00000
626 -0.0532 0.00000
627 0.0536 0.00000
628 0.0039 0.00000
629 0.0797 0.00000
630 0.0087 0.00000
631 0.0528 0.00000
632 0.0481 0.00000
633 -0.0103 0.00000
634 0.0134 0.00000
635 0.0460 0.00000
636 0.0689 0.00000
637 -0.0664 0.00000
638 -0.0206 0.00000
639 0.0144 0.00000
640 0.2615 0.00000
641 0.1264 0.00000
642 0.0054 0.00000
643 -0.0813 0.00000
644 0.1052 0.00000
645 -0.0027 0.00000
646 -0.0002 0.00000
647 0.0242 0.00000
648 0.0213 0.00000
649 0.0422 0.00000
650 0.0296 0.00000
651 -0.0059 0.00000
652 0.0159 0.00000
653 -0.0510 0.00000
654 0.0025 0.00000
655 0.0038 0.00000
656 0.0374 0.00000
657 0.0074 0.00000
658 -0.0597 0.00000
659 0.0036 0.00000
660 0.0212 0.00000
661 -0.0139 0.00000
662 0.0193 0.00000
663 0.0259 0.00000
664 -0.0259 0.00000
665 0.0002 0.00000
666 0.0069 0.00000
667 -0.0025 0.00000
668 -0.0186 0.00000
669 0.0943 0.00000
670 -0.0233 0.00000
671 -0.0003 0.00000
672 0.0610 0.00000
673 0.0292 0.00000
674 -0.0215 0.00000
675 -0.0041 0.00000
676 -0.0343 0.00000
677 0.0131 0.00000
678 0.0117 0.00000
679 0.0216 0.00000
680 -0.0209 0.00000
681 -0.0167 0.00000
682 0.0476 0.00000
683 0.0059 0.00000
684 -0.0101 0.00000
685 -0.0432 0.00000
686 0.0062 0.00000
687 0.0334 0.00000
688 0.1033 0.00000
689 -0.0105 0.00000
690 0.0052 0.00000
691 0.0347 0.00000
692 0.0149 0.00000
693 0.0059 0.00000
694 0.0382 0.00000
695 -0.0004 0.00000
696 -0.0157 0.00000
697 -0.0015 0.00000
698 0.0312 0.00000
699 -0.0388 0.00000
700 0.0124 0.00000
701 0.0583 0.00000
702 -0.0090 0.00000
703 -0.0163 0.00000
704 0.0057 0.00000
705 -0.0053 0.00000
706 0.0325 0.00000
707 0.0113 0.00000
708 0.0045 0.00000
709 0.0055 0.00000
710 -0.0227 0.00000
711 -0.0272 0.00000
712 0.0215 0.00000
713 0.0117 0.00000
714 0.0727 0.00000
715 0.0016 0.00000
716 0.0018 0.00000
717 0.0093 0.00000
718 0.0312 0.00000
719 0.0037 0.00000
720 0.0895 0.00000
721 -0.0255 0.00000
722 0.0591 0.00000
723 -0.0240 0.00000
724 -0.0228 0.00000
725 -0.0110 0.00000
726 0.0053 0.00000
727 0.0246 0.00000
728 -0.0469 0.00000
729 0.0093 0.00000
730 -0.0230 0.00000
731 -0.0090 0.00000
732 -0.0026 0.00000
733 0.0097 0.00000
734 0.0040 0.00000
735 -0.0727 0.00000
736 -0.0489 0.00000
737 0.0653 0.00000
738 -0.0042 0.00000
739 -0.0093 0.00000
740 -0.0418 0.00000
741 -0.0002 0.00000
742 -0.0216 0.00000
743 0.0381 0.00000
744 -0.0320 0.00000
745 -0.0036 0.00000
746 0.0029 0.00000
747 0.0029 0.00000
748 -0.0063 0.00000
749 -0.0027 0.00000
750 0.0167 0.00000
751 -0.0405 0.00000
752 -0.0103 0.00000
753 -0.0295 0.00000
754 -0.1195 0.00000
755 -0.0004 0.00000
756 -0.0280 0.00000
757 -0.0103 0.00000
758 0.0230 0.00000
759 -0.0508 0.00000
760 -0.0056 0.00000
761 0.0630 0.00000
762 0.0861 0.00000
763 0.0165 0.00000
764 -0.0244 0.00000
765 -0.0619 0.00000
766 0.0442 0.00000
767 0.0012 0.00000
768 -0.0348 0.00000
769 -0.0314 0.00000
770 0.0337 0.00000
771 -0.0078 0.00000
772 0.0173 0.00000
773 -0.0106 0.00000
774 -0.0121 0.00000
775 -0.0180 0.00000
776 0.0036 0.00000
777 -0.0135 0.00000
778 0.0062 0.00000
779 0.0072 0.00000
780 0.0017 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 6 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
11.59363 3.23606 8.97441
3.23574 -2.70709 -2.40859
8.97463 -2.40825 -2.34986
POSITION FORCE-CONSTANT FOR ION 6 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 1.025897 -0.086582 -0.704794
4.30302 2.15352 7.05746 -0.067484 0.001927 -0.034435
1.30883 4.06731 2.03161 -0.019681 -0.347660 -0.316315
3.96992 4.32885 4.13194 -0.189323 -0.024439 -0.060293
1.29275 3.05683 8.10201 -0.035199 -0.003896 0.010285
3.79636 1.47547 14.70421 -30.516269 -0.538253 -2.359579
1.24643 4.63551 10.86193 -0.197551 -0.069068 0.032285
3.89005 4.20092 12.88287 0.148275 0.326501 -0.157378
1.04482 6.69020 17.44020 -0.013836 -0.156730 0.057403
3.77370 7.04599 6.61024 -0.030855 0.000885 -0.018686
0.71312 9.21049 2.53845 -0.008826 -0.009872 -0.026461
3.86880 9.70388 4.59023 -0.029910 0.006277 -0.004840
1.19399 7.29663 8.75952 -0.013553 0.000147 -0.002750
4.14925 6.52609 15.71477 -0.135867 0.038944 -0.019592
1.16791 10.19708 10.50563 -0.023756 0.003683 0.000462
3.90202 11.30466 11.97145 -0.029531 0.001764 -0.000107
1.41963 13.48240 16.88000 -0.053661 0.102800 0.087538
3.89470 12.50036 6.39588 -0.037842 0.017133 -0.025727
1.24092 15.65995 2.03746 0.082630 0.274395 -0.108527
3.45676 13.88732 3.60018 -0.116558 0.064499 -0.043863
1.37686 12.90671 8.69683 -0.009837 0.010845 0.003241
4.20896 12.98001 14.89140 -0.080445 -0.017890 0.033174
1.28271 15.54574 11.35729 -0.117572 0.087007 0.036276
4.02704 16.14416 13.12883 0.027475 -0.254322 -0.022068
8.51844 2.13686 0.32759 0.194263 0.160021 0.195527
10.42520 1.68659 6.72748 0.042687 -0.007302 0.008467
6.89192 4.41938 2.41726 -0.089409 0.153710 0.173491
10.22536 4.35381 4.16682 0.070328 0.018935 0.007869
7.19238 2.15284 8.75827 -0.024283 0.017833 -0.086524
10.67141 2.29852 15.08728 0.283334 -0.004673 -0.055067
7.24075 4.59797 11.01224 0.034172 0.087400 -0.063740
10.30176 4.56419 12.61212 0.081361 0.084314 -0.069978
6.40057 6.85176 0.36515 -0.044326 0.079777 -0.000473
9.75325 6.62606 6.90745 0.010475 0.015093 0.006229
6.24007 9.67823 1.67645 -0.011561 0.022747 0.028140
6.65558 7.06042 8.79421 -0.022801 0.031341 -0.039761
11.80692 6.94639 14.05727 0.061494 0.031473 0.020796
6.39955 9.97659 10.34026 -0.012001 0.008315 0.008230
11.03265 10.16848 13.84914 0.021981 0.005605 -0.011643
6.77345 12.10505 16.99256 -0.023516 -0.043785 -0.022116
10.32223 13.09442 6.99099 0.020111 -0.008212 0.004540
10.59365 15.96480 4.77521 0.054652 0.003448 0.007027
6.94250 12.79247 7.88185 -0.015780 -0.015290 -0.021714
10.18654 12.31147 16.08279 0.043308 -0.030455 0.027296
7.13888 17.01345 11.20310 0.010402 -0.083394 -0.186228
10.37682 0.23169 12.64835 0.180473 -0.039824 -0.047543
13.24904 1.54346 17.14370 0.280307 -0.021497 -0.019788
15.89410 1.64185 6.44545 0.030856 0.003368 -0.044889
12.98857 4.28042 2.14546 0.088635 0.001730 -0.007816
15.96785 4.32998 4.48967 0.078123 -0.042635 -0.060204
13.27097 1.52537 8.57426 0.068583 0.009117 -0.005363
16.03461 1.53130 15.21659 0.436156 -0.062555 0.078208
13.37701 3.97590 10.80799 0.092227 -0.016057 0.037213
16.23421 4.17555 13.11475 0.098375 -0.192931 0.172482
13.12188 6.75851 16.83328 0.059709 0.006530 0.014780
16.15350 6.82329 6.57280 0.009240 -0.020880 -0.027525
13.80451 11.28726 3.11364 0.030161 0.001233 -0.000656
16.01530 9.31599 4.57229 0.020392 -0.007305 -0.006560
16.24774 6.95131 14.97400 0.046394 -0.074478 -0.005040
13.37358 11.10317 11.33384 0.035326 -0.002437 0.004445
16.26481 10.28310 12.82929 0.021448 -0.004950 0.030991
13.02958 12.87265 0.34345 0.056482 0.007437 -0.002009
15.63587 13.81058 6.90598 0.027178 0.019855 -0.031874
13.11026 15.86276 1.91698 0.065270 -0.008381 -0.006168
16.04847 15.98249 4.25314 0.099219 0.012824 -0.070701
12.92950 13.50280 9.01948 0.044153 -0.004292 -0.003282
16.03470 13.24150 15.21399 0.049753 0.060855 -0.004060
13.00717 16.52927 10.76204 0.132873 -0.047767 -0.028484
15.92967 15.85673 13.13419 0.069025 0.129764 0.077433
1.86054 17.36365 1.29865 -0.148332 -0.174804 0.202596
4.17830 2.73136 5.21241 0.025141 -0.000749 0.016311
3.26426 5.75851 5.24301 0.023395 0.014581 0.020186
17.49829 1.67854 7.58538 0.006207 0.004649 0.005221
1.16532 17.05709 10.27678 0.008293 0.004578 -0.001218
3.43296 5.28736 14.40974 0.010602 -0.066987 -0.018189
5.78979 4.58179 12.35127 0.041664 0.100735 -0.096362
2.66622 1.96025 16.18884 6.515302 -1.478089 -3.156602
17.32027 0.89679 16.51550 -0.223529 -0.035486 -0.000623
0.46199 8.18893 0.93413 0.014046 0.020534 -0.003131
5.39231 10.11127 3.40660 0.015364 -0.001422 -0.007276
2.32066 9.80687 3.44943 0.015668 0.000541 0.008882
4.91964 7.92130 14.71679 0.020397 0.001128 0.009192
2.68710 7.23238 16.69438 0.033087 0.012857 -0.020667
0.01020 10.88204 2.02154 0.006218 -0.000576 0.008479
4.21835 0.28129 6.98759 0.011992 0.000784 0.005028
17.23783 13.81793 8.03064 0.004238 -0.003608 0.003221
4.79582 14.66186 14.12172 0.051096 -0.085276 -0.086918
1.82404 14.00413 10.26937 0.017749 -0.005893 0.008579
5.26768 16.92854 11.79676 0.162771 -0.011715 -0.018923
10.96027 2.96124 5.34122 -0.012780 -0.001458 -0.002684
6.97457 3.04582 1.08259 0.029383 -0.133627 -0.122853
10.16898 6.05361 5.08582 -0.006994 -0.006761 -0.006661
8.34039 4.05066 3.68939 -0.018209 -0.023475 -0.047165
8.74489 2.42632 7.55292 -0.004583 -0.002178 0.010200
7.18775 0.35634 9.46384 0.020384 -0.000731 0.031147
11.47395 4.04892 11.19556 -0.032210 0.002723 0.012324
9.15080 2.77757 16.12393 -0.067332 -0.033009 0.031829
7.98734 0.36277 0.04247 0.001366 -0.008126 0.020788
8.09306 7.37877 7.53063 0.006318 -0.003516 0.003203
5.20414 6.37683 7.73407 0.020234 -0.001642 0.015850
12.25313 11.32613 12.87115 -0.006843 -0.002761 0.005952
7.88582 9.71337 11.41294 0.004773 -0.000633 -0.002439
7.90588 7.26091 16.85699 0.001996 -0.003601 0.004745
11.07224 14.64349 6.08452 -0.004326 0.003889 -0.003082
9.97410 0.03402 5.82220 -0.005363 0.001212 0.001257
11.77786 16.49122 3.26041 -0.021528 0.000824 0.014516
6.65717 11.67689 9.40508 0.006740 0.005108 0.001801
7.76961 15.24886 11.07941 0.002214 0.019137 0.023512
8.52712 0.41686 12.29829 -0.041737 0.036140 0.025987
13.11181 17.12784 0.26607 -0.033965 -0.002162 0.005456
13.20693 2.50512 1.34897 -0.035068 0.003110 0.006074
17.29335 3.71694 3.19979 -0.055429 0.041727 0.074829
14.20035 4.69758 3.69278 -0.028862 0.002354 -0.001222
14.59997 3.56179 12.23787 -0.051614 0.011387 -0.045551
13.57708 5.48481 0.72232 -0.012132 -0.000895 -0.003057
12.29749 8.18631 0.22048 -0.005934 0.000418 -0.002062
16.86596 10.59176 5.62457 0.000952 0.001851 0.000761
16.66958 8.43890 13.63905 -0.004984 0.011882 -0.007345
16.67265 11.67449 14.15979 -0.002120 -0.012216 -0.005170
14.70756 7.45696 15.98014 -0.017690 0.004045 0.005252
16.06899 0.34084 4.92526 -0.008798 0.001605 0.015445
14.63768 15.41566 3.05858 -0.031568 0.000055 -0.003960
12.21694 15.07373 9.87203 -0.020289 0.013627 0.000790
15.65466 0.14914 13.86557 -0.063005 -0.034216 -0.036250
14.35754 15.71932 11.91759 -0.030261 -0.007867 -0.023036
14.30081 12.83268 16.21967 -0.012098 -0.006435 0.006118
8.77223 10.39607 2.47225 0.006056 0.000317 0.002337
12.91187 8.54216 10.48161 0.007246 0.002112 -0.001221
8.49467 15.82840 2.99445 0.012308 -0.022248 0.025693
1.32045 2.68577 1.08043 -0.229177 0.358648 0.453196
5.44581 4.42337 3.31859 0.149295 -0.018554 -0.083971
2.71895 4.15019 2.95898 0.145996 0.054782 0.147660
2.89361 2.63574 7.84048 0.048127 -0.007359 -0.004661
3.72928 2.61904 13.46082 3.587389 -0.816780 1.057947
1.12195 3.42722 9.72736 0.030334 0.017677 -0.010604
2.69176 4.49808 11.70258 0.225533 -0.163264 0.198795
1.13271 5.33613 0.95032 -0.010232 0.158549 -0.015788
4.03043 8.42197 5.67301 0.016027 -0.002197 0.007320
3.75157 11.03623 5.64253 0.016016 -0.006020 0.003826
2.52170 7.25791 7.75547 0.020411 0.000184 -0.001485
17.39856 7.13193 7.68295 0.014191 0.003688 0.012080
1.18188 6.06412 9.94036 0.032974 -0.001466 0.008671
1.18202 8.73358 9.65531 0.009301 -0.002023 -0.000938
3.91098 11.84592 13.59643 0.018193 0.008659 -0.002292
5.12928 10.31683 11.41789 0.022738 -0.008841 -0.008072
2.50977 10.51875 11.46580 0.027712 0.005314 0.007143
17.45087 6.59897 16.12377 -0.015152 0.045399 -0.016076
3.55980 13.67281 5.25157 0.027097 -0.019197 0.035734
1.28803 14.62748 0.64715 0.014282 -0.136749 -0.066068
4.98905 14.24610 3.11864 0.058324 0.003680 -0.011376
2.40264 15.06164 3.08512 0.100355 -0.135992 0.099107
2.72172 12.72875 7.62075 0.018009 -0.004290 -0.001948
1.06333 11.39589 9.35618 0.008331 -0.005310 0.002384
3.61212 17.43666 14.11103 3.816560 2.273909 0.981600
2.61877 15.69429 12.36150 0.203357 0.081908 0.157058
2.80206 13.36593 15.83914 0.095694 -0.023990 -0.060354
17.47316 13.58140 16.05649 -0.022253 -0.037273 -0.020772
9.77890 2.08644 1.42003 -0.111865 -0.045814 -0.101065
11.39452 4.37239 2.86549 -0.075715 -0.013741 0.011981
5.75314 2.47184 7.89843 0.065331 -0.005077 0.047876
10.58974 3.42804 13.84178 -0.054609 -0.065815 0.090230
7.29963 3.26088 10.01774 -0.001463 -0.004785 0.052461
10.61644 6.04073 13.30213 -0.041113 -0.048517 -0.008510
8.72282 4.57356 11.93667 -0.023759 -0.033271 0.028912
6.87268 5.85394 1.60201 0.025767 -0.081037 -0.004174
10.69996 7.99849 7.09252 -0.004664 -0.009571 -0.003810
5.73707 8.23825 1.01832 0.024543 -0.040791 -0.019533
10.63831 11.82289 5.95914 -0.002569 0.004103 0.002416
12.27791 10.92294 3.59234 -0.014332 -0.002824 0.003946
7.82470 9.40720 2.06031 0.006483 -0.006395 -0.006941
7.06519 5.95381 10.03323 0.006932 -0.054132 0.051560
11.49637 8.56646 14.11248 -0.009968 -0.006963 -0.000468
6.22218 8.54831 9.46647 0.010143 -0.011843 0.001425
10.64255 10.88430 15.28736 -0.010836 0.013862 0.006257
5.27533 6.08183 16.89617 0.080250 -0.053427 0.008853
6.19392 10.87447 0.49133 0.014751 0.008834 -0.008369
6.63594 13.50144 0.40946 0.009226 0.043005 -0.000589
9.20318 15.33527 4.12194 -0.038021 0.011628 -0.038294
8.65369 12.87516 7.41323 -0.004754 0.004325 0.004013
5.50203 12.61795 6.94111 0.041542 0.003977 0.019868
10.10713 13.64215 15.27789 -0.020120 0.030900 -0.007718
10.67911 0.87544 14.08625 -0.074295 0.003668 0.019118
11.60356 17.20368 11.75834 -0.147767 0.052675 0.069934
8.39118 11.91622 16.60701 0.000326 0.010944 0.001108
5.50451 12.34914 15.80657 0.042550 0.001774 0.020092
15.73327 3.04046 5.55542 -0.020254 -0.008506 0.031757
16.46394 5.60663 5.46979 -0.007677 0.033376 0.033910
14.52808 1.45286 7.47168 -0.040943 -0.002293 0.030105
11.79275 1.56088 7.78873 -0.043376 0.001184 -0.018051
13.32704 0.21681 9.64565 -0.025118 -0.003473 0.005759
16.41790 2.90736 14.26355 -0.151431 0.130218 -0.122484
13.45171 2.82808 9.57211 -0.026383 -0.003387 -0.010311
16.10069 5.57752 13.99343 -0.018608 0.080209 0.006478
0.00005 4.40711 11.99025 0.059839 0.059256 -0.090849
14.62884 1.73967 16.17160 -0.275597 0.016762 0.101571
11.98368 2.03831 16.06725 -0.224648 0.047934 -0.092237
15.63239 8.11986 5.68103 -0.002539 0.005157 0.004303
17.11138 8.55854 3.60414 -0.003924 0.004615 0.012231
14.79559 9.98222 3.60061 -0.010701 0.005071 -0.002357
14.83832 6.40254 7.47085 -0.007004 0.002208 0.009213
10.26118 5.42988 7.96507 -0.003846 -0.005964 0.000311
13.84142 5.42996 10.14226 -0.021861 0.003931 -0.004110
12.90067 9.94534 10.26834 -0.005094 -0.001741 -0.001942
17.40760 10.25314 11.57387 0.015871 0.000864 -0.016693
14.84553 10.65634 12.01294 -0.027811 0.006189 -0.016464
12.09160 6.31793 15.56215 -0.035340 -0.011137 -0.022509
13.66330 11.76838 1.50243 -0.010124 -0.001084 -0.000945
15.90808 14.97969 5.66759 -0.014606 -0.028377 0.037200
12.90234 14.38066 1.10662 -0.019291 -0.003935 -0.002042
17.39979 15.79595 3.12260 -0.117741 -0.035614 0.118713
14.24465 13.87010 7.98683 -0.028316 -0.002598 0.019320
11.50975 12.98027 8.22780 -0.014839 0.001518 -0.007337
13.37751 12.44417 10.26044 -0.008932 0.002866 -0.003143
15.76289 14.59733 14.23402 -0.018260 -0.059592 0.006760
17.35248 15.55367 12.27553 0.026164 -0.048494 -0.052972
11.51892 12.39014 17.28946 -0.047589 -0.002812 -0.021201
2.14782 0.44560 2.19550 -0.000737 -0.017006 0.031067
3.29477 2.11300 4.94555 0.006240 0.006914 -0.003960
2.45654 5.15830 5.71352 0.006734 -0.002462 -0.003834
17.13665 1.28635 8.55333 0.006928 0.000296 0.002794
2.05496 17.16622 9.63831 0.003560 -0.001395 -0.010681
2.76007 4.61458 14.97268 0.014016 -0.072115 -0.006951
5.82104 5.64963 12.65472 0.055991 -0.003828 0.009992
1.99867 2.73895 15.76239 0.803390 -0.602723 -0.975087
16.62702 0.41219 17.23014 -0.042641 0.002640 0.014799
0.53299 8.97932 0.15968 0.000123 0.007018 0.002062
6.28070 9.99466 4.05905 0.005155 0.000353 -0.000362
2.80484 10.34140 2.60493 0.001454 0.001389 0.000400
5.85876 7.59725 14.24081 0.009275 0.005595 -0.006041
2.33378 8.07412 16.06384 0.009951 0.005159 -0.000994
0.72196 11.42800 1.39191 0.002265 0.002310 -0.000949
4.17641 17.36384 8.00554 -0.000849 -0.002584 0.000931
0.17664 14.81238 7.80592 0.001709 -0.000621 -0.000391
5.28314 15.15948 14.98492 -0.010570 -0.024447 0.008002
1.99589 13.21868 11.02572 0.003516 -0.002916 -0.000939
4.90269 16.46159 10.85427 0.034838 0.046955 -0.002645
11.44760 2.27402 4.62061 0.004776 0.000351 0.002298
6.42001 2.18281 1.50214 -0.010614 0.010395 0.023532
11.20298 6.44871 5.00937 0.001831 -0.004612 -0.001481
8.23943 2.94593 3.71752 0.003507 -0.006028 0.012302
9.07830 3.43667 7.86385 0.004119 0.001226 0.000293
8.13841 17.45818 9.05432 0.003927 0.002071 0.000148
11.09062 4.59939 10.31069 -0.004037 -0.000657 0.003568
8.29143 2.75175 15.42638 0.028197 0.042589 -0.040072
8.82941 17.22992 17.22214 -0.026936 0.000548 -0.023956
7.50840 7.62286 6.62087 0.000997 -0.000579 0.002222
4.60511 5.74329 8.41778 0.000842 -0.000045 -0.002098
12.92668 11.75537 13.63632 0.004112 -0.000704 -0.000707
8.02117 10.55523 12.10517 0.003273 -0.001222 0.000204
8.67556 7.71636 17.49570 0.005251 -0.002399 -0.001356
11.47875 15.24589 6.91703 0.003664 -0.000056 -0.001086
9.35972 16.97903 6.56192 0.001170 -0.000052 -0.000367
11.03713 17.07922 2.67792 0.003848 0.003355 0.001593
7.42775 12.08916 10.09180 0.004863 -0.001982 0.001585
7.92017 14.83580 12.09082 0.004967 -0.010849 -0.001030
8.50905 1.48718 11.99359 0.010245 0.003928 -0.015569
13.83892 16.58967 17.12637 0.005347 0.011965 0.005864
14.18064 2.16404 1.76300 -0.000316 0.003125 -0.012373
0.22637 2.85420 3.74771 0.003020 0.002934 -0.005944
13.55731 4.46328 4.56374 -0.001003 0.002737 0.002347
13.93368 3.48067 13.12140 0.011636 -0.000170 0.002337
14.29477 4.78199 0.25086 0.002460 0.000273 0.001201
12.05112 9.01860 17.04503 0.003942 0.000829 0.000872
16.27694 10.80430 6.52497 0.003701 0.000419 0.000589
16.72250 7.84092 12.70809 0.002356 -0.002621 0.001815
0.08131 12.14367 13.72814 -0.000104 0.003569 0.001462
15.18747 8.06134 16.77823 0.001162 -0.000417 -0.000041
15.33129 0.80027 4.23469 0.006784 0.002597 -0.000420
15.22283 14.74953 2.39790 0.004440 0.006979 -0.000161
11.52991 14.60593 10.60396 0.002857 -0.004089 0.000462
14.54913 0.08259 13.94141 -0.015186 -0.008050 -0.016559
13.64918 15.17179 12.57877 0.002140 -0.003660 0.000714
14.26990 11.73639 16.04700 0.000560 -0.002030 0.000727
2.83011 17.00291 0.89614 -0.034905 0.019695 -0.038053
5.01762 2.19884 4.72481 0.002702 -0.005656 0.000353
2.72197 6.40768 4.52960 0.006010 -0.004387 -0.000648
0.61592 0.85326 7.17988 0.000698 0.000084 -0.001294
1.05804 0.47662 10.87149 0.010205 -0.014800 0.020315
2.72869 6.02833 13.97220 0.030279 0.008592 -0.007982
6.27365 4.07474 13.21275 0.053946 0.050424 0.005482
3.39789 2.54642 16.78232 -0.478949 0.769933 1.197491
0.26647 0.03376 15.97352 0.056445 0.091682 -0.008713
16.86896 8.04953 1.06168 0.005276 -0.002859 -0.000370
5.26691 11.21282 3.35522 0.001307 -0.000927 -0.000908
1.79651 10.63408 3.97172 0.005753 0.000734 -0.000302
4.24367 8.25477 13.91418 0.002045 -0.004726 0.004265
3.20146 7.72932 0.04071 0.002785 0.004055 -0.000751
17.29565 11.52683 2.88643 0.003430 0.003172 -0.001008
5.09458 17.34903 6.48077 0.003372 -0.001937 -0.002427
16.80060 13.95067 9.04167 0.004916 0.000852 0.001564
5.65314 14.35380 13.49055 0.019419 -0.038219 0.013883
2.85103 14.37043 10.06567 0.006271 -0.002976 -0.003861
4.88020 0.46410 11.72901 -0.055228 -0.005239 -0.096745
11.82432 3.49932 5.78478 0.000058 0.000338 -0.003821
6.33916 3.40343 0.25044 -0.026978 0.062479 0.030859
9.59394 6.71839 4.41200 0.003547 0.002561 0.000918
7.91802 4.38505 4.66043 -0.005712 -0.000959 -0.015308
8.23543 2.62518 6.58554 -0.000788 -0.001431 0.004524
6.41431 17.32071 8.88054 0.001415 0.000738 0.008021
11.14557 3.00954 10.98712 0.003946 -0.006035 -0.005019
9.36027 3.86210 16.23230 -0.015414 -0.010269 0.000134
7.53966 17.41529 0.94072 -0.005645 0.001627 -0.018772
8.48774 8.36338 7.84778 0.004130 -0.000693 -0.000422
5.72768 5.64505 7.08615 0.002645 -0.000502 -0.000440
11.53162 12.14308 12.66419 0.003049 0.000526 -0.000705
7.77778 8.79967 12.01567 0.003002 0.000835 0.000884
7.67148 7.97660 16.05599 0.001663 -0.002861 0.000662
11.96712 14.11387 5.69832 0.002205 0.001662 -0.000592
9.20674 0.45352 5.13285 -0.000503 0.000985 0.001312
12.42086 17.27854 3.71166 0.001846 -0.002737 -0.001631
5.72984 12.20671 9.71226 0.001066 -0.002105 -0.000090
7.06651 14.59485 10.54611 0.002204 0.005211 0.001258
8.18003 0.43236 13.34917 0.053024 -0.017913 0.002842
12.13433 16.79403 17.35819 0.000242 -0.010709 -0.002489
12.47800 1.85419 1.86970 0.008021 -0.001990 0.009658
16.61133 3.22326 2.47663 0.021557 0.003581 -0.006204
14.18380 5.80672 3.64923 0.001609 0.001483 -0.000497
14.87276 2.50739 12.03337 0.008672 0.004584 0.005609
14.23243 6.19147 1.27631 0.000812 -0.001286 -0.000884
12.93327 8.58137 1.02753 0.003296 -0.001682 -0.001862
0.31818 10.15222 5.96061 0.002656 -0.000594 -0.000502
0.23893 8.66414 13.84372 0.001806 0.001627 0.001732
17.08408 11.06555 14.99139 0.002787 -0.001467 -0.001558
14.24371 8.22849 15.33189 0.002278 0.003977 0.000629
17.03243 0.72423 4.52831 -0.000509 -0.003746 -0.002901
14.06257 14.70897 3.69175 -0.000575 -0.004165 0.000471
11.55248 15.52990 9.11606 0.000031 -0.002399 -0.004650
15.79992 0.71375 12.92180 0.011634 -0.002490 -0.003391
14.66771 14.92743 11.20480 -0.006361 -0.000905 -0.008709
13.59723 13.22883 15.45681 0.004268 -0.000140 -0.000762
0.28893 16.96969 9.61776 0.005900 -0.008148 -0.005865
5.14861 8.79609 15.34428 0.005231 0.002419 -0.002315
16.57887 10.76457 1.44815 0.004817 -0.001639 -0.000301
3.32280 17.43531 6.45000 0.006170 0.002191 0.001740
7.22345 0.33037 16.74849 0.033091 -0.078464 -0.003054
8.80270 9.61454 10.81195 0.004059 0.000261 0.000744
8.32656 6.35754 16.39008 0.013162 0.001700 -0.004751
8.73549 15.20213 10.55252 0.000920 0.003475 0.001229
11.35757 7.84337 0.68199 0.001460 0.001792 0.002853
17.07689 11.54135 5.11708 0.003226 -0.000159 -0.000233
1.05898 4.30352 7.32607 0.007644 0.001123 -0.000943
4.03509 12.56543 11.20951 0.007502 0.000762 -0.000586
2.98241 12.61908 2.99845 0.017075 -0.010368 0.002574
13.02951 6.77394 13.23542 -0.006141 -0.002355 -0.000770
9.81405 10.04557 13.02717 -0.000156 -0.001013 0.001325
14.38062 12.44509 3.83928 -0.000483 -0.000841 -0.000092
15.29130 12.60070 6.14349 0.000298 -0.002441 0.002791
1.51212 12.17674 0.04632 0.009058 -0.012576 -0.009505
5.20365 1.54821 15.21091 13.610658 0.494714 3.624105
6.79297 14.20253 8.32851 0.004150 0.005149 0.004854
11.61515 7.96197 6.76612 0.007011 0.001832 0.000990
10.25461 10.96603 6.21744 0.004628 0.000370 -0.000211
11.90891 11.26603 4.43245 0.008857 -0.001174 -0.003722
8.53540 10.78259 3.48001 0.002295 -0.000633 -0.000846
9.76681 9.93079 2.50215 0.003500 0.001495 -0.000381
8.80784 11.23977 1.76494 0.003527 -0.000581 -0.000318
14.97448 6.01037 8.35394 0.005638 -0.000014 -0.002031
10.93413 4.83383 7.59381 0.007517 0.001634 0.001534
13.14865 5.92816 9.67432 0.007724 0.003443 -0.004387
12.65000 8.06887 9.52187 0.003866 -0.000288 -0.000292
13.90414 8.18239 10.79823 0.001984 -0.000099 -0.000152
12.16474 8.24325 11.23577 0.002226 -0.000096 0.001493
5.27827 14.04824 2.20496 -0.014985 -0.005279 0.014092
10.20084 2.92381 1.69633 0.028000 0.019074 0.018796
7.46833 14.00510 0.41146 0.009513 -0.023764 0.008086
7.48179 15.39929 3.01468 -0.001185 -0.002006 0.001454
8.41010 16.93048 3.00754 0.003145 0.012522 0.008167
8.99741 15.53505 2.05618 0.011140 -0.007451 -0.004572
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 6 DIRECTION 1 : 1.882 0.068 -0.347
rigid augmentation : 0.200 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -2.318 0.068 -0.347
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 17/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 20( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258942; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258963; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01040388
-V(xc)+E(xc) XCENC = 0.01981787
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.04260309
---------------------------------------------------
free energy TOTEN = -0.03318909 eV
energy without entropy = -0.03318909
----------------------------------------- Iteration 20( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258942; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258963; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11693E+01 rms(broyden)= 0.11684E+01
rms(prec ) = 0.12348E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01040388
-V(xc)+E(xc) XCENC = 0.01981787
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01470439
---------------------------------------------------
free energy TOTEN = -0.00529039 eV
energy without entropy = -0.00529039
----------------------------------------- Iteration 20( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258936; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258540; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.69459E+00 rms(broyden)= 0.69451E+00
rms(prec ) = 0.73877E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3815
2.3815
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00993891
-V(xc)+E(xc) XCENC = 0.01766813
PAW double counting = 0.01856841 -0.01857117
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01429803
---------------------------------------------------
free energy TOTEN = -0.00657157 eV
energy without entropy = -0.00657157
----------------------------------------- Iteration 20( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259148; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258328; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10491E+00 rms(broyden)= 0.10479E+00
rms(prec ) = 0.13586E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0053
1.5776 2.4330
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00954767
-V(xc)+E(xc) XCENC = 0.01689669
PAW double counting = 0.11033427 -0.11034779
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01433233
---------------------------------------------------
free energy TOTEN = -0.00699683 eV
energy without entropy = -0.00699683
----------------------------------------- Iteration 20( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259157; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258319; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56402E-01 rms(broyden)= 0.56376E-01
rms(prec ) = 0.74674E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6705
2.5108 1.0171 1.4836
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00918517
-V(xc)+E(xc) XCENC = 0.01650706
PAW double counting = 0.11790030 -0.11791295
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01466171
---------------------------------------------------
free energy TOTEN = -0.00735247 eV
energy without entropy = -0.00735247
----------------------------------------- Iteration 20( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259268; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258315; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.29634E-01 rms(broyden)= 0.29619E-01
rms(prec ) = 0.45369E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7334
2.6130 2.3383 0.9912 0.9912
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00918400
-V(xc)+E(xc) XCENC = 0.01652185
PAW double counting = 0.11901179 -0.11902503
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01465857
---------------------------------------------------
free energy TOTEN = -0.00733397 eV
energy without entropy = -0.00733397
----------------------------------------- Iteration 20( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259274; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258309; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.14795E-01 rms(broyden)= 0.14787E-01
rms(prec ) = 0.24160E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8532
2.9525 2.2713 2.0411 1.0004 1.0004
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00911362
-V(xc)+E(xc) XCENC = 0.01652818
PAW double counting = 0.11836852 -0.11838151
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01473330
---------------------------------------------------
free energy TOTEN = -0.00733172 eV
energy without entropy = -0.00733172
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0249 0.00000
4 -0.0639 0.00000
5 -0.1143 0.00000
6 -0.0778 0.00000
7 0.0351 0.00000
8 0.0033 0.00000
9 -0.2132 0.00000
10 -0.0394 0.00000
11 -0.1028 0.00000
12 0.0509 0.00000
13 0.0093 0.00000
14 0.0469 0.00000
15 -0.1536 0.00000
16 1.7520 0.00000
17 0.9092 0.00000
18 -0.0194 0.00000
19 0.1162 0.00000
20 0.0068 0.00000
21 -0.0519 0.00000
22 -0.0795 0.00000
23 -0.0283 0.00000
24 0.4300 0.00000
25 -0.0160 0.00000
26 -0.0882 0.00000
27 -0.0965 0.00000
28 -0.0632 0.00000
29 -0.0131 0.00000
30 -0.1302 0.00000
31 -0.5129 0.00000
32 0.4143 0.00000
33 -0.0071 0.00000
34 -0.0184 0.00000
35 0.0199 0.00000
36 -0.5581 0.00000
37 -0.0673 0.00000
38 0.0746 0.00000
39 -0.2413 0.00000
40 -0.0338 0.00000
41 -0.0264 0.00000
42 -0.1523 0.00000
43 -0.0348 0.00000
44 -0.1610 0.00000
45 0.4588 0.00000
46 0.1743 0.00000
47 -0.0870 0.00000
48 0.3571 0.00000
49 -0.0027 0.00000
50 0.0874 0.00000
51 0.0030 0.00000
52 0.0858 0.00000
53 -0.0043 0.00000
54 -0.0142 0.00000
55 -0.0580 0.00000
56 -0.5364 0.00000
57 -0.0592 0.00000
58 -0.0667 0.00000
59 -0.1348 0.00000
60 -0.0643 0.00000
61 -0.0980 0.00000
62 -0.0437 0.00000
63 0.1599 0.00000
64 -0.1959 0.00000
65 -0.0443 0.00000
66 -0.1907 0.00000
67 -0.1766 0.00000
68 -0.1017 0.00000
69 0.0627 0.00000
70 0.0585 0.00000
71 -0.0590 0.00000
72 -0.0160 0.00000
73 0.0423 0.00000
74 0.0592 0.00000
75 0.0792 0.00000
76 0.1011 0.00000
77 0.2230 0.00000
78 -0.0200 0.00000
79 -0.0998 0.00000
80 0.0154 0.00000
81 -0.1428 0.00000
82 0.0261 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2191 0.00000
89 0.1058 0.00000
90 0.0200 0.00000
91 -0.0315 0.00000
92 0.3333 0.00000
93 -0.1099 0.00000
94 -0.2616 0.00000
95 -0.1653 0.00000
96 -0.2237 0.00000
97 -0.0380 0.00000
98 0.0845 0.00000
99 0.1225 0.00000
100 -0.3905 0.00000
101 0.0012 0.00000
102 -0.0241 0.00000
103 -0.0308 0.00000
104 -0.0454 0.00000
105 -0.0016 0.00000
106 -0.0141 0.00000
107 -0.1834 0.00000
108 0.0701 0.00000
109 0.4273 0.00000
110 -0.1028 0.00000
111 -0.1191 0.00000
112 0.1151 0.00000
113 0.0268 0.00000
114 0.1562 0.00000
115 -0.0395 0.00000
116 -0.1021 0.00000
117 -0.1230 0.00000
118 -0.1245 0.00000
119 -0.0856 0.00000
120 0.0003 0.00000
121 -0.0750 0.00000
122 -0.0185 0.00000
123 -0.2031 0.00000
124 -0.1871 0.00000
125 0.5915 0.00000
126 -0.0293 0.00000
127 -0.1490 0.00000
128 0.0238 0.00000
129 -0.1096 0.00000
130 -0.0175 0.00000
131 0.2057 0.00000
132 -0.1545 0.00000
133 -0.0555 0.00000
134 0.0474 0.00000
135 -0.0081 0.00000
136 -0.0735 0.00000
137 -0.4660 0.00000
138 -0.1253 0.00000
139 -0.0036 0.00000
140 0.0003 0.00000
141 0.0000 0.00000
142 -0.1231 0.00000
143 -0.0140 0.00000
144 -0.0214 0.00000
145 -0.0538 0.00000
146 -0.0978 0.00000
147 -0.0282 0.00000
148 -0.0192 0.00000
149 -0.0909 0.00000
150 -0.0090 0.00000
151 -0.0510 0.00000
152 -0.0580 0.00000
153 -0.0779 0.00000
154 0.1142 0.00000
155 0.0026 0.00000
156 -0.0132 0.00000
157 0.0342 0.00000
158 -0.0147 0.00000
159 0.7989 0.00000
160 0.1299 0.00000
161 0.0441 0.00000
162 0.1819 0.00000
163 -0.0510 0.00000
164 -0.0432 0.00000
165 -0.0555 0.00000
166 -0.1135 0.00000
167 -0.0175 0.00000
168 0.0126 0.00000
169 -0.1232 0.00000
170 -0.0212 0.00000
171 0.1445 0.00000
172 -0.0645 0.00000
173 0.2415 0.00000
174 0.0381 0.00000
175 -0.0525 0.00000
176 0.0082 0.00000
177 -0.1178 0.00000
178 -0.1057 0.00000
179 0.1115 0.00000
180 -0.0291 0.00000
181 -0.1533 0.00000
182 -0.0505 0.00000
183 -0.0037 0.00000
184 -0.1039 0.00000
185 -0.0265 0.00000
186 -0.0135 0.00000
187 0.1505 0.00000
188 -0.0410 0.00000
189 0.0210 0.00000
190 -0.0281 0.00000
191 0.0664 0.00000
192 0.1642 0.00000
193 0.0473 0.00000
194 -0.0005 0.00000
195 0.0021 0.00000
196 -0.0546 0.00000
197 -0.0982 0.00000
198 -0.0155 0.00000
199 -0.0191 0.00000
200 -0.0694 0.00000
201 0.0136 0.00000
202 0.1279 0.00000
203 -0.1744 0.00000
204 -0.0333 0.00000
205 -0.1102 0.00000
206 -0.0647 0.00000
207 -0.0033 0.00000
208 -0.0024 0.00000
209 -0.0036 0.00000
210 0.1812 0.00000
211 0.1361 0.00000
212 -0.0516 0.00000
213 -0.0634 0.00000
214 -0.0293 0.00000
215 -0.0145 0.00000
216 0.0360 0.00000
217 -0.0440 0.00000
218 -0.0457 0.00000
219 0.0609 0.00000
220 -0.0399 0.00000
221 -0.0473 0.00000
222 0.0767 0.00000
223 0.1682 0.00000
224 0.2617 0.00000
225 -0.0655 0.00000
226 -0.0514 0.00000
227 0.0951 0.00000
228 0.0108 0.00000
229 -0.0247 0.00000
230 0.0656 0.00000
231 0.1384 0.00000
232 0.0939 0.00000
233 0.0049 0.00000
234 -0.0585 0.00000
235 -0.0929 0.00000
236 -0.0244 0.00000
237 0.0540 0.00000
238 -0.1144 0.00000
239 0.0736 0.00000
240 -0.0109 0.00000
241 0.0866 0.00000
242 0.1780 0.00000
243 -0.0442 0.00000
244 0.1196 0.00000
245 0.0634 0.00000
246 0.0370 0.00000
247 -0.0421 0.00000
248 -0.0244 0.00000
249 -0.0087 0.00000
250 -0.0311 0.00000
251 -0.3432 0.00000
252 -0.2741 0.00000
253 -0.0705 0.00000
254 -0.0888 0.00000
255 -0.0614 0.00000
256 0.0173 0.00000
257 0.0035 0.00000
258 -0.0104 0.00000
259 0.0181 0.00000
260 0.1775 0.00000
261 0.0108 0.00000
262 0.0507 0.00000
263 0.0833 0.00000
264 0.0022 0.00000
265 0.0161 0.00000
266 -0.0402 0.00000
267 -0.0529 0.00000
268 -0.0176 0.00000
269 -0.0073 0.00000
270 0.0607 0.00000
271 -0.0066 0.00000
272 0.0102 0.00000
273 -0.0103 0.00000
274 0.0344 0.00000
275 -0.0877 0.00000
276 0.0732 0.00000
277 -0.0396 0.00000
278 -0.1027 0.00000
279 0.0003 0.00000
280 0.0027 0.00000
281 -0.0589 0.00000
282 -0.0459 0.00000
283 0.0189 0.00000
284 -0.0918 0.00000
285 -0.0043 0.00000
286 0.0354 0.00000
287 -0.0275 0.00000
288 -0.1583 0.00000
289 0.0359 0.00000
290 0.0275 0.00000
291 0.0766 0.00000
292 0.1044 0.00000
293 0.1200 0.00000
294 -0.3093 0.00000
295 0.1385 0.00000
296 -0.0721 0.00000
297 0.2908 0.00000
298 0.1290 0.00000
299 -0.0646 0.00000
300 0.0463 0.00000
301 0.1427 0.00000
302 -0.1171 0.00000
303 0.0699 0.00000
304 -0.0156 0.00000
305 0.0575 0.00000
306 0.0022 0.00000
307 0.1428 0.00000
308 0.1146 0.00000
309 -0.1523 0.00000
310 -0.0019 0.00000
311 -0.0598 0.00000
312 0.0113 0.00000
313 -0.1613 0.00000
314 0.0449 0.00000
315 -0.0274 0.00000
316 0.0258 0.00000
317 0.0753 0.00000
318 0.0072 0.00000
319 -0.0295 0.00000
320 -0.0659 0.00000
321 -0.0815 0.00000
322 0.0764 0.00000
323 -0.0210 0.00000
324 -0.0355 0.00000
325 -0.0693 0.00000
326 0.0194 0.00000
327 0.1684 0.00000
328 -0.0595 0.00000
329 -0.0161 0.00000
330 -0.0717 0.00000
331 -0.0414 0.00000
332 -0.0397 0.00000
333 0.0797 0.00000
334 -0.0329 0.00000
335 -0.0265 0.00000
336 -0.0237 0.00000
337 -0.0602 0.00000
338 0.0686 0.00000
339 -0.0543 0.00000
340 -0.0002 0.00000
341 0.0146 0.00000
342 -0.0335 0.00000
343 -0.0451 0.00000
344 0.0903 0.00000
345 -0.0160 0.00000
346 -0.0135 0.00000
347 0.0179 0.00000
348 0.0507 0.00000
349 0.0061 0.00000
350 -0.0274 0.00000
351 0.0276 0.00000
352 -0.0772 0.00000
353 -0.0214 0.00000
354 -0.0490 0.00000
355 -0.0218 0.00000
356 -0.0294 0.00000
357 -0.0494 0.00000
358 -0.0487 0.00000
359 -0.0629 0.00000
360 -0.0189 0.00000
361 -0.0285 0.00000
362 -0.0360 0.00000
363 0.0325 0.00000
364 -0.0662 0.00000
365 -0.0109 0.00000
366 -0.0449 0.00000
367 0.0951 0.00000
368 -0.0287 0.00000
369 0.0151 0.00000
370 -0.0512 0.00000
371 0.0016 0.00000
372 0.0561 0.00000
373 -0.0337 0.00000
374 0.0456 0.00000
375 -0.0571 0.00000
376 0.0039 0.00000
377 0.0076 0.00000
378 -0.1004 0.00000
379 0.0363 0.00000
380 0.1084 0.00000
381 -0.0767 0.00000
382 0.0019 0.00000
383 -0.1123 0.00000
384 0.0481 0.00000
385 -0.0944 0.00000
386 0.2715 0.00000
387 -0.0522 0.00000
388 -0.0399 0.00000
389 0.0762 0.00000
390 -0.0058 0.00000
391 -0.0109 0.00000
392 -0.1353 0.00000
393 -0.0136 0.00000
394 0.0572 0.00000
395 -0.0947 0.00000
396 -0.0272 0.00000
397 -0.0215 0.00000
398 -0.0039 0.00000
399 -0.0092 0.00000
400 -0.0428 0.00000
401 -0.0394 0.00000
402 -0.0494 0.00000
403 -0.0201 0.00000
404 -0.0998 0.00000
405 0.0207 0.00000
406 0.0037 0.00000
407 -0.0221 0.00000
408 -0.0755 0.00000
409 0.0114 0.00000
410 0.0847 0.00000
411 -0.0780 0.00000
412 -0.0225 0.00000
413 -0.0168 0.00000
414 -0.0311 0.00000
415 -0.0806 0.00000
416 -0.0430 0.00000
417 0.0241 0.00000
418 0.0882 0.00000
419 -0.0600 0.00000
420 0.0803 0.00000
421 -0.0006 0.00000
422 -0.0242 0.00000
423 -0.1001 0.00000
424 0.0332 0.00000
425 0.0665 0.00000
426 0.1578 0.00000
427 -0.0056 0.00000
428 0.0082 0.00000
429 -0.0750 0.00000
430 0.0407 0.00000
431 -0.0506 0.00000
432 -0.0123 0.00000
433 -0.0428 0.00000
434 0.1100 0.00000
435 0.0790 0.00000
436 0.0686 0.00000
437 -0.1186 0.00000
438 0.0486 0.00000
439 -0.0369 0.00000
440 -0.0119 0.00000
441 -0.0453 0.00000
442 0.0030 0.00000
443 -0.0996 0.00000
444 -0.0405 0.00000
445 -0.0143 0.00000
446 0.0192 0.00000
447 -0.0214 0.00000
448 0.0524 0.00000
449 0.1150 0.00000
450 -0.1249 0.00000
451 0.1045 0.00000
452 -0.0968 0.00000
453 -0.0151 0.00000
454 0.0044 0.00000
455 0.0897 0.00000
456 -0.0276 0.00000
457 -0.1153 0.00000
458 0.1168 0.00000
459 -0.0194 0.00000
460 -0.0042 0.00000
461 0.1858 0.00000
462 -0.0051 0.00000
463 -0.1316 0.00000
464 0.0068 0.00000
465 0.0594 0.00000
466 0.1836 0.00000
467 0.0582 0.00000
468 -0.0385 0.00000
469 -0.0114 0.00000
470 0.0340 0.00000
471 -0.0115 0.00000
472 -0.0841 0.00000
473 0.0433 0.00000
474 -0.0673 0.00000
475 -0.2378 0.00000
476 -0.1029 0.00000
477 0.0916 0.00000
478 -0.0776 0.00000
479 -0.0140 0.00000
480 -0.0830 0.00000
481 0.5095 0.00000
482 0.0428 0.00000
483 -0.1265 0.00000
484 -0.0004 0.00000
485 0.0166 0.00000
486 0.0761 0.00000
487 -0.0214 0.00000
488 -0.0470 0.00000
489 -0.0734 0.00000
490 -0.1110 0.00000
491 0.0444 0.00000
492 0.0955 0.00000
493 -0.0230 0.00000
494 -0.0738 0.00000
495 -0.0284 0.00000
496 0.0056 0.00000
497 -0.0293 0.00000
498 0.0368 0.00000
499 0.0150 0.00000
500 -0.0318 0.00000
501 0.0318 0.00000
502 0.0519 0.00000
503 -0.0539 0.00000
504 0.2987 0.00000
505 -0.0320 0.00000
506 -0.1166 0.00000
507 -0.0217 0.00000
508 0.0466 0.00000
509 0.0077 0.00000
510 -0.0268 0.00000
511 -0.0189 0.00000
512 -0.0728 0.00000
513 -0.0539 0.00000
514 -0.0479 0.00000
515 -0.0353 0.00000
516 0.0570 0.00000
517 -0.0096 0.00000
518 -0.0193 0.00000
519 0.0130 0.00000
520 -0.0313 0.00000
521 0.0318 0.00000
522 -0.0307 0.00000
523 -0.1805 0.00000
524 -0.0035 0.00000
525 0.0096 0.00000
526 -0.0388 0.00000
527 0.0173 0.00000
528 -0.0142 0.00000
529 -0.0186 0.00000
530 0.0591 0.00000
531 0.0642 0.00000
532 -0.0513 0.00000
533 -0.0267 0.00000
534 0.0056 0.00000
535 -0.0167 0.00000
536 -0.0868 0.00000
537 -0.0075 0.00000
538 0.0150 0.00000
539 -0.0427 0.00000
540 0.0012 0.00000
541 -0.0002 0.00000
542 -0.1716 0.00000
543 -0.0494 0.00000
544 -0.0259 0.00000
545 0.0414 0.00000
546 0.0660 0.00000
547 -0.0015 0.00000
548 0.0070 0.00000
549 -0.0671 0.00000
550 0.1182 0.00000
551 0.0018 0.00000
552 0.0148 0.00000
553 0.0604 0.00000
554 0.0332 0.00000
555 -0.0753 0.00000
556 -0.0242 0.00000
557 -0.0312 0.00000
558 0.0211 0.00000
559 0.0080 0.00000
560 0.0118 0.00000
561 0.1188 0.00000
562 0.0712 0.00000
563 0.1009 0.00000
564 0.0520 0.00000
565 -0.0912 0.00000
566 -0.0024 0.00000
567 0.0567 0.00000
568 0.0237 0.00000
569 -0.1377 0.00000
570 0.1142 0.00000
571 0.0485 0.00000
572 0.0448 0.00000
573 -0.1644 0.00000
574 -0.1141 0.00000
575 0.2592 0.00000
576 -0.0729 0.00000
577 -0.1827 0.00000
578 -0.2598 0.00000
579 -0.0829 0.00000
580 -0.0276 0.00000
581 -0.1196 0.00000
582 0.0323 0.00000
583 -0.0363 0.00000
584 -0.1132 0.00000
585 -0.1106 0.00000
586 -0.0036 0.00000
587 0.0319 0.00000
588 -0.0381 0.00000
589 0.0364 0.00000
590 -0.0783 0.00000
591 0.0042 0.00000
592 0.0071 0.00000
593 0.0441 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1117 0.00000
597 0.1044 0.00000
598 0.0679 0.00000
599 0.0655 0.00000
600 -0.0140 0.00000
601 0.0776 0.00000
602 -0.0509 0.00000
603 -0.0566 0.00000
604 0.0408 0.00000
605 -0.0262 0.00000
606 0.0181 0.00000
607 0.0492 0.00000
608 0.0007 0.00000
609 0.0359 0.00000
610 -0.0448 0.00000
611 0.0669 0.00000
612 -0.0220 0.00000
613 0.1421 0.00000
614 -0.0279 0.00000
615 -0.0100 0.00000
616 0.0092 0.00000
617 -0.1044 0.00000
618 -0.0134 0.00000
619 -0.0255 0.00000
620 -0.0488 0.00000
621 0.0276 0.00000
622 -0.0004 0.00000
623 0.0695 0.00000
624 -0.0456 0.00000
625 -0.0097 0.00000
626 0.0162 0.00000
627 -0.0263 0.00000
628 0.0300 0.00000
629 0.0231 0.00000
630 0.0201 0.00000
631 -0.0301 0.00000
632 0.0200 0.00000
633 0.0514 0.00000
634 -0.0186 0.00000
635 0.0061 0.00000
636 0.0059 0.00000
637 0.0041 0.00000
638 -0.0544 0.00000
639 -0.0177 0.00000
640 -0.0009 0.00000
641 0.0086 0.00000
642 0.0101 0.00000
643 -0.0453 0.00000
644 0.0588 0.00000
645 -0.0395 0.00000
646 0.0101 0.00000
647 0.0323 0.00000
648 0.0216 0.00000
649 -0.0007 0.00000
650 -0.0031 0.00000
651 -0.0031 0.00000
652 -0.0480 0.00000
653 -0.0292 0.00000
654 0.0188 0.00000
655 -0.0132 0.00000
656 0.0038 0.00000
657 -0.0260 0.00000
658 -0.0222 0.00000
659 -0.0396 0.00000
660 0.0210 0.00000
661 0.0027 0.00000
662 -0.0096 0.00000
663 -0.0082 0.00000
664 0.0263 0.00000
665 -0.0246 0.00000
666 0.0426 0.00000
667 -0.0852 0.00000
668 -0.0356 0.00000
669 -0.0828 0.00000
670 -0.0212 0.00000
671 -0.0009 0.00000
672 -0.0280 0.00000
673 -0.0239 0.00000
674 -0.0151 0.00000
675 -0.0555 0.00000
676 -0.0209 0.00000
677 -0.0623 0.00000
678 -0.0906 0.00000
679 -0.0081 0.00000
680 -0.0059 0.00000
681 -0.0065 0.00000
682 -0.0436 0.00000
683 -0.0226 0.00000
684 0.0180 0.00000
685 -0.0333 0.00000
686 0.0215 0.00000
687 0.0004 0.00000
688 0.0547 0.00000
689 0.0640 0.00000
690 0.0163 0.00000
691 -0.0699 0.00000
692 0.0096 0.00000
693 -0.0102 0.00000
694 0.0071 0.00000
695 0.0327 0.00000
696 -0.0224 0.00000
697 0.0051 0.00000
698 0.0103 0.00000
699 0.0025 0.00000
700 0.0080 0.00000
701 -0.0251 0.00000
702 -0.0364 0.00000
703 0.0391 0.00000
704 0.0323 0.00000
705 -0.0684 0.00000
706 -0.0129 0.00000
707 -0.0304 0.00000
708 -0.0077 0.00000
709 -0.0735 0.00000
710 -0.0025 0.00000
711 0.0199 0.00000
712 -0.0400 0.00000
713 -0.0176 0.00000
714 0.0079 0.00000
715 0.0021 0.00000
716 0.0036 0.00000
717 -0.0265 0.00000
718 -0.0250 0.00000
719 -0.0601 0.00000
720 -0.0151 0.00000
721 0.0380 0.00000
722 0.0269 0.00000
723 0.0292 0.00000
724 0.0327 0.00000
725 -0.0236 0.00000
726 -0.0305 0.00000
727 -0.0479 0.00000
728 -0.0298 0.00000
729 -0.0489 0.00000
730 -0.0047 0.00000
731 0.0297 0.00000
732 -0.0275 0.00000
733 0.0083 0.00000
734 -0.0379 0.00000
735 -0.0131 0.00000
736 -0.0479 0.00000
737 -0.0138 0.00000
738 -0.0042 0.00000
739 0.0567 0.00000
740 -0.0046 0.00000
741 -0.0468 0.00000
742 -0.0114 0.00000
743 -0.0277 0.00000
744 0.0878 0.00000
745 -0.0294 0.00000
746 -0.0305 0.00000
747 -0.0246 0.00000
748 0.0014 0.00000
749 0.0404 0.00000
750 -0.0208 0.00000
751 0.0103 0.00000
752 -0.0583 0.00000
753 0.0055 0.00000
754 -0.0539 0.00000
755 0.0124 0.00000
756 -0.0256 0.00000
757 -0.0239 0.00000
758 -0.0331 0.00000
759 0.0480 0.00000
760 0.0172 0.00000
761 -0.0583 0.00000
762 0.0071 0.00000
763 -0.0418 0.00000
764 0.0295 0.00000
765 -0.0701 0.00000
766 -0.0580 0.00000
767 -0.0146 0.00000
768 0.0217 0.00000
769 -0.0368 0.00000
770 -0.0240 0.00000
771 -0.0030 0.00000
772 0.0108 0.00000
773 -0.0232 0.00000
774 0.0100 0.00000
775 -0.0191 0.00000
776 -0.0241 0.00000
777 -0.0329 0.00000
778 -0.0083 0.00000
779 0.0213 0.00000
780 0.0025 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0249 0.00000
4 -0.0624 0.00000
5 -0.1160 0.00000
6 -0.0783 0.00000
7 0.0365 0.00000
8 0.0033 0.00000
9 -0.2152 0.00000
10 -0.0388 0.00000
11 -0.1022 0.00000
12 0.0511 0.00000
13 0.0093 0.00000
14 0.0469 0.00000
15 -0.1536 0.00000
16 1.7661 0.00000
17 0.8896 0.00000
18 -0.0202 0.00000
19 0.1554 0.00000
20 -0.0282 0.00000
21 -0.0520 0.00000
22 -0.0808 0.00000
23 -0.0284 0.00000
24 0.1955 0.00000
25 0.2361 0.00000
26 -0.1262 0.00000
27 -0.0589 0.00000
28 -0.0275 0.00000
29 -0.0758 0.00000
30 -0.1266 0.00000
31 -0.5455 0.00000
32 0.4659 0.00000
33 -0.0064 0.00000
34 -0.0177 0.00000
35 0.0203 0.00000
36 -0.5787 0.00000
37 -0.0784 0.00000
38 0.0716 0.00000
39 -0.2139 0.00000
40 -0.0338 0.00000
41 -0.0233 0.00000
42 -0.1511 0.00000
43 -0.0361 0.00000
44 -0.1398 0.00000
45 0.2014 0.00000
46 0.4279 0.00000
47 -0.1142 0.00000
48 0.3324 0.00000
49 -0.0376 0.00000
50 0.2033 0.00000
51 0.0101 0.00000
52 0.0286 0.00000
53 -0.0071 0.00000
54 -0.0903 0.00000
55 -0.0197 0.00000
56 -0.4861 0.00000
57 -0.0595 0.00000
58 -0.0905 0.00000
59 -0.1225 0.00000
60 -0.0811 0.00000
61 -0.1155 0.00000
62 0.0063 0.00000
63 -0.0579 0.00000
64 0.0954 0.00000
65 -0.0782 0.00000
66 -0.1875 0.00000
67 -0.1092 0.00000
68 -0.2136 0.00000
69 0.0252 0.00000
70 -0.0554 0.00000
71 0.0782 0.00000
72 -0.0161 0.00000
73 0.0479 0.00000
74 0.0657 0.00000
75 0.0296 0.00000
76 0.1388 0.00000
77 0.2183 0.00000
78 -0.0084 0.00000
79 -0.1079 0.00000
80 0.0159 0.00000
81 -0.1428 0.00000
82 0.0260 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2192 0.00000
89 0.0968 0.00000
90 0.0286 0.00000
91 0.0098 0.00000
92 0.3072 0.00000
93 -0.1427 0.00000
94 -0.2435 0.00000
95 -0.1859 0.00000
96 -0.1851 0.00000
97 -0.0378 0.00000
98 0.0392 0.00000
99 0.1488 0.00000
100 -0.3588 0.00000
101 -0.0295 0.00000
102 -0.0202 0.00000
103 -0.0261 0.00000
104 -0.0836 0.00000
105 0.0379 0.00000
106 -0.0450 0.00000
107 -0.1496 0.00000
108 0.1320 0.00000
109 0.3757 0.00000
110 -0.0069 0.00000
111 -0.2266 0.00000
112 0.1648 0.00000
113 0.0197 0.00000
114 0.0841 0.00000
115 -0.0264 0.00000
116 -0.1251 0.00000
117 -0.1063 0.00000
118 -0.1106 0.00000
119 -0.0751 0.00000
120 -0.0020 0.00000
121 -0.0683 0.00000
122 -0.0350 0.00000
123 0.0057 0.00000
124 -0.3613 0.00000
125 0.5582 0.00000
126 -0.0242 0.00000
127 -0.1562 0.00000
128 0.0209 0.00000
129 -0.1059 0.00000
130 -0.0076 0.00000
131 0.2084 0.00000
132 -0.1959 0.00000
133 -0.0386 0.00000
134 0.0607 0.00000
135 -0.0084 0.00000
136 -0.1197 0.00000
137 -0.4171 0.00000
138 -0.1245 0.00000
139 -0.0028 0.00000
140 -0.0059 0.00000
141 0.0001 0.00000
142 -0.1259 0.00000
143 -0.0115 0.00000
144 -0.0212 0.00000
145 -0.0552 0.00000
146 -0.0981 0.00000
147 -0.0267 0.00000
148 0.0021 0.00000
149 -0.1162 0.00000
150 -0.0101 0.00000
151 -0.0245 0.00000
152 -0.1450 0.00000
153 -0.0336 0.00000
154 0.1155 0.00000
155 0.0128 0.00000
156 0.0651 0.00000
157 -0.0583 0.00000
158 0.0070 0.00000
159 0.5005 0.00000
160 0.3957 0.00000
161 0.2016 0.00000
162 0.0766 0.00000
163 -0.0511 0.00000
164 -0.1273 0.00000
165 -0.1296 0.00000
166 0.0293 0.00000
167 -0.0884 0.00000
168 -0.0332 0.00000
169 -0.0014 0.00000
170 -0.0286 0.00000
171 0.0361 0.00000
172 0.0984 0.00000
173 0.3643 0.00000
174 -0.0043 0.00000
175 -0.1056 0.00000
176 -0.1576 0.00000
177 -0.0416 0.00000
178 0.0071 0.00000
179 -0.0095 0.00000
180 -0.0818 0.00000
181 -0.1285 0.00000
182 -0.0381 0.00000
183 -0.0662 0.00000
184 -0.0149 0.00000
185 -0.0340 0.00000
186 0.0120 0.00000
187 0.1445 0.00000
188 -0.0303 0.00000
189 -0.0210 0.00000
190 0.0152 0.00000
191 0.0474 0.00000
192 0.1887 0.00000
193 0.0268 0.00000
194 0.0170 0.00000
195 -0.0869 0.00000
196 -0.0001 0.00000
197 -0.0477 0.00000
198 -0.0627 0.00000
199 0.0005 0.00000
200 -0.0745 0.00000
201 0.0628 0.00000
202 0.0371 0.00000
203 -0.1604 0.00000
204 -0.0401 0.00000
205 -0.0441 0.00000
206 -0.1039 0.00000
207 0.0001 0.00000
208 -0.0149 0.00000
209 0.0318 0.00000
210 0.2434 0.00000
211 -0.0488 0.00000
212 0.0115 0.00000
213 0.0169 0.00000
214 -0.0687 0.00000
215 0.0022 0.00000
216 0.0941 0.00000
217 -0.1072 0.00000
218 -0.0264 0.00000
219 -0.0741 0.00000
220 0.0479 0.00000
221 -0.0477 0.00000
222 0.1110 0.00000
223 0.0845 0.00000
224 0.3275 0.00000
225 -0.1351 0.00000
226 0.0242 0.00000
227 0.0936 0.00000
228 0.0162 0.00000
229 -0.0307 0.00000
230 0.0575 0.00000
231 0.1378 0.00000
232 0.0690 0.00000
233 0.0273 0.00000
234 -0.0628 0.00000
235 -0.0640 0.00000
236 -0.0799 0.00000
237 0.0210 0.00000
238 -0.0200 0.00000
239 0.1386 0.00000
240 0.0196 0.00000
241 -0.0400 0.00000
242 0.1297 0.00000
243 0.0393 0.00000
244 0.0599 0.00000
245 0.0655 0.00000
246 0.0324 0.00000
247 -0.0209 0.00000
248 -0.0312 0.00000
249 0.0149 0.00000
250 -0.0164 0.00000
251 -0.1903 0.00000
252 -0.5044 0.00000
253 -0.0155 0.00000
254 -0.0515 0.00000
255 -0.0892 0.00000
256 0.0123 0.00000
257 0.0380 0.00000
258 -0.0155 0.00000
259 0.0095 0.00000
260 0.1275 0.00000
261 0.0597 0.00000
262 -0.0137 0.00000
263 0.0912 0.00000
264 0.0300 0.00000
265 -0.0260 0.00000
266 -0.0232 0.00000
267 -0.0119 0.00000
268 -0.0567 0.00000
269 -0.0077 0.00000
270 0.0673 0.00000
271 -0.0130 0.00000
272 0.1000 0.00000
273 0.0110 0.00000
274 0.0607 0.00000
275 -0.0668 0.00000
276 -0.0262 0.00000
277 -0.0702 0.00000
278 -0.0555 0.00000
279 -0.0567 0.00000
280 -0.0162 0.00000
281 -0.1126 0.00000
282 -0.0682 0.00000
283 0.0005 0.00000
284 0.0004 0.00000
285 0.0400 0.00000
286 0.0262 0.00000
287 0.0059 0.00000
288 0.0302 0.00000
289 -0.0158 0.00000
290 0.1221 0.00000
291 -0.0931 0.00000
292 -0.0414 0.00000
293 0.0247 0.00000
294 -0.1810 0.00000
295 0.0176 0.00000
296 0.2298 0.00000
297 -0.0487 0.00000
298 0.0734 0.00000
299 0.1924 0.00000
300 0.0709 0.00000
301 0.1327 0.00000
302 -0.0057 0.00000
303 -0.0059 0.00000
304 -0.0616 0.00000
305 0.1661 0.00000
306 -0.0125 0.00000
307 0.0230 0.00000
308 -0.1315 0.00000
309 -0.0256 0.00000
310 -0.0665 0.00000
311 0.0777 0.00000
312 0.0700 0.00000
313 0.0096 0.00000
314 -0.0883 0.00000
315 -0.0220 0.00000
316 0.0211 0.00000
317 -0.0373 0.00000
318 -0.0407 0.00000
319 0.0805 0.00000
320 -0.0011 0.00000
321 -0.1347 0.00000
322 0.0009 0.00000
323 -0.0164 0.00000
324 -0.0580 0.00000
325 0.0885 0.00000
326 0.0185 0.00000
327 -0.0657 0.00000
328 -0.0273 0.00000
329 -0.1040 0.00000
330 0.0483 0.00000
331 0.0374 0.00000
332 0.0997 0.00000
333 -0.0520 0.00000
334 -0.0095 0.00000
335 -0.0147 0.00000
336 0.0530 0.00000
337 -0.0432 0.00000
338 -0.1149 0.00000
339 -0.0627 0.00000
340 0.0266 0.00000
341 0.0466 0.00000
342 0.1290 0.00000
343 0.0221 0.00000
344 -0.0140 0.00000
345 0.0309 0.00000
346 -0.1155 0.00000
347 -0.0096 0.00000
348 -0.0124 0.00000
349 -0.0017 0.00000
350 -0.0386 0.00000
351 -0.0347 0.00000
352 -0.0184 0.00000
353 -0.0506 0.00000
354 -0.0856 0.00000
355 -0.0025 0.00000
356 0.0606 0.00000
357 0.0136 0.00000
358 -0.0612 0.00000
359 -0.0733 0.00000
360 -0.0096 0.00000
361 -0.0030 0.00000
362 -0.0064 0.00000
363 -0.0164 0.00000
364 -0.0477 0.00000
365 -0.0404 0.00000
366 0.0277 0.00000
367 0.0874 0.00000
368 -0.0092 0.00000
369 -0.0552 0.00000
370 0.0191 0.00000
371 -0.0103 0.00000
372 -0.0379 0.00000
373 0.0136 0.00000
374 -0.0576 0.00000
375 -0.0655 0.00000
376 -0.0148 0.00000
377 -0.1753 0.00000
378 0.0292 0.00000
379 -0.0109 0.00000
380 -0.0043 0.00000
381 -0.0158 0.00000
382 0.0695 0.00000
383 0.0265 0.00000
384 0.0418 0.00000
385 -0.0561 0.00000
386 -0.0532 0.00000
387 0.1671 0.00000
388 -0.1497 0.00000
389 0.0855 0.00000
390 -0.0085 0.00000
391 -0.0411 0.00000
392 0.0914 0.00000
393 -0.0453 0.00000
394 -0.1231 0.00000
395 0.0389 0.00000
396 -0.0373 0.00000
397 0.0187 0.00000
398 -0.0774 0.00000
399 -0.0409 0.00000
400 0.0003 0.00000
401 0.0499 0.00000
402 0.0208 0.00000
403 -0.0030 0.00000
404 -0.0083 0.00000
405 -0.0244 0.00000
406 -0.0365 0.00000
407 0.0746 0.00000
408 -0.1046 0.00000
409 -0.0407 0.00000
410 0.0351 0.00000
411 -0.1018 0.00000
412 0.0276 0.00000
413 -0.1002 0.00000
414 0.0411 0.00000
415 -0.0044 0.00000
416 0.0307 0.00000
417 -0.0172 0.00000
418 -0.0423 0.00000
419 -0.1373 0.00000
420 0.0495 0.00000
421 0.0328 0.00000
422 -0.0335 0.00000
423 0.0124 0.00000
424 0.0329 0.00000
425 0.0858 0.00000
426 -0.0414 0.00000
427 0.0068 0.00000
428 0.0585 0.00000
429 -0.0113 0.00000
430 0.0087 0.00000
431 -0.0052 0.00000
432 -0.0224 0.00000
433 -0.1041 0.00000
434 0.0390 0.00000
435 0.0748 0.00000
436 0.0639 0.00000
437 -0.0236 0.00000
438 -0.0525 0.00000
439 -0.0461 0.00000
440 -0.0606 0.00000
441 0.0103 0.00000
442 -0.0250 0.00000
443 0.0206 0.00000
444 -0.0103 0.00000
445 0.0537 0.00000
446 0.0105 0.00000
447 0.0812 0.00000
448 -0.0404 0.00000
449 -0.0717 0.00000
450 0.0987 0.00000
451 -0.0255 0.00000
452 -0.0190 0.00000
453 0.0178 0.00000
454 0.0151 0.00000
455 -0.1126 0.00000
456 0.0300 0.00000
457 0.0853 0.00000
458 -0.0203 0.00000
459 0.1817 0.00000
460 -0.0646 0.00000
461 -0.0659 0.00000
462 0.0767 0.00000
463 0.0332 0.00000
464 0.0174 0.00000
465 -0.0000 0.00000
466 -0.0285 0.00000
467 0.3006 0.00000
468 -0.0369 0.00000
469 -0.0495 0.00000
470 -0.1714 0.00000
471 -0.0387 0.00000
472 -0.0948 0.00000
473 0.0035 0.00000
474 -0.0588 0.00000
475 -0.0711 0.00000
476 0.0300 0.00000
477 -0.0388 0.00000
478 0.0485 0.00000
479 -0.0748 0.00000
480 0.1161 0.00000
481 -0.0115 0.00000
482 0.0279 0.00000
483 0.1269 0.00000
484 0.0255 0.00000
485 -0.0324 0.00000
486 -0.1540 0.00000
487 0.0134 0.00000
488 0.0596 0.00000
489 0.1015 0.00000
490 0.0188 0.00000
491 -0.2072 0.00000
492 0.0344 0.00000
493 0.0478 0.00000
494 -0.0342 0.00000
495 0.0488 0.00000
496 -0.0928 0.00000
497 0.0620 0.00000
498 0.1005 0.00000
499 -0.1047 0.00000
500 0.1412 0.00000
501 0.0382 0.00000
502 0.0494 0.00000
503 0.0338 0.00000
504 -0.0354 0.00000
505 0.0021 0.00000
506 -0.0175 0.00000
507 0.0736 0.00000
508 -0.0004 0.00000
509 -0.0230 0.00000
510 -0.1471 0.00000
511 -0.0277 0.00000
512 0.0317 0.00000
513 -0.0087 0.00000
514 -0.0962 0.00000
515 0.0204 0.00000
516 -0.0240 0.00000
517 0.0281 0.00000
518 0.0251 0.00000
519 -0.0128 0.00000
520 -0.0322 0.00000
521 -0.0646 0.00000
522 0.0406 0.00000
523 -0.0689 0.00000
524 0.0136 0.00000
525 0.0020 0.00000
526 0.0392 0.00000
527 -0.0879 0.00000
528 -0.0781 0.00000
529 -0.0035 0.00000
530 0.0369 0.00000
531 -0.0650 0.00000
532 -0.0100 0.00000
533 -0.0119 0.00000
534 -0.0608 0.00000
535 -0.0127 0.00000
536 -0.0680 0.00000
537 -0.0635 0.00000
538 -0.0151 0.00000
539 -0.0517 0.00000
540 -0.0077 0.00000
541 0.0304 0.00000
542 -0.0324 0.00000
543 0.0158 0.00000
544 0.0779 0.00000
545 -0.0817 0.00000
546 0.0425 0.00000
547 0.0014 0.00000
548 -0.0925 0.00000
549 -0.0570 0.00000
550 -0.0189 0.00000
551 0.1639 0.00000
552 -0.0001 0.00000
553 0.0777 0.00000
554 -0.0147 0.00000
555 -0.0705 0.00000
556 0.0121 0.00000
557 0.0541 0.00000
558 0.1204 0.00000
559 0.0490 0.00000
560 0.0088 0.00000
561 -0.0113 0.00000
562 0.0304 0.00000
563 0.0273 0.00000
564 0.0061 0.00000
565 -0.0331 0.00000
566 0.1347 0.00000
567 -0.2121 0.00000
568 0.0807 0.00000
569 -0.0536 0.00000
570 -0.0131 0.00000
571 0.0244 0.00000
572 0.1976 0.00000
573 0.1332 0.00000
574 -0.0608 0.00000
575 -0.0455 0.00000
576 0.0773 0.00000
577 -0.1026 0.00000
578 -0.4564 0.00000
579 -0.1825 0.00000
580 -0.0146 0.00000
581 -0.0624 0.00000
582 -0.0457 0.00000
583 -0.0004 0.00000
584 -0.0500 0.00000
585 -0.0957 0.00000
586 -0.0465 0.00000
587 0.0382 0.00000
588 -0.0503 0.00000
589 0.0369 0.00000
590 -0.1020 0.00000
591 0.0355 0.00000
592 -0.0007 0.00000
593 0.0469 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1115 0.00000
597 0.1036 0.00000
598 0.0672 0.00000
599 0.0754 0.00000
600 0.0897 0.00000
601 -0.0951 0.00000
602 -0.0076 0.00000
603 0.0208 0.00000
604 0.0368 0.00000
605 0.0346 0.00000
606 0.0270 0.00000
607 -0.0603 0.00000
608 -0.0303 0.00000
609 0.0631 0.00000
610 -0.0011 0.00000
611 0.0262 0.00000
612 -0.0458 0.00000
613 0.0225 0.00000
614 0.0227 0.00000
615 0.0527 0.00000
616 0.0329 0.00000
617 -0.0452 0.00000
618 -0.0812 0.00000
619 -0.0640 0.00000
620 0.0360 0.00000
621 0.0105 0.00000
622 -0.0520 0.00000
623 0.0208 0.00000
624 -0.0213 0.00000
625 -0.0301 0.00000
626 0.0543 0.00000
627 -0.0415 0.00000
628 -0.0059 0.00000
629 0.0268 0.00000
630 -0.0051 0.00000
631 0.0112 0.00000
632 -0.0657 0.00000
633 0.0150 0.00000
634 0.0357 0.00000
635 0.1932 0.00000
636 0.0569 0.00000
637 -0.0008 0.00000
638 0.0278 0.00000
639 0.0116 0.00000
640 -0.0089 0.00000
641 -0.0772 0.00000
642 0.0369 0.00000
643 0.0231 0.00000
644 -0.1251 0.00000
645 -0.0558 0.00000
646 -0.0280 0.00000
647 0.0070 0.00000
648 -0.0512 0.00000
649 -0.0031 0.00000
650 0.0069 0.00000
651 -0.0170 0.00000
652 0.0403 0.00000
653 -0.0223 0.00000
654 -0.0694 0.00000
655 -0.0283 0.00000
656 -0.0136 0.00000
657 0.0041 0.00000
658 -0.0247 0.00000
659 0.0315 0.00000
660 -0.0322 0.00000
661 -0.0035 0.00000
662 -0.0011 0.00000
663 -0.0013 0.00000
664 0.0096 0.00000
665 -0.0272 0.00000
666 -0.0469 0.00000
667 0.0469 0.00000
668 -0.0160 0.00000
669 0.0126 0.00000
670 -0.0499 0.00000
671 0.0083 0.00000
672 0.0677 0.00000
673 -0.0811 0.00000
674 0.0258 0.00000
675 -0.0463 0.00000
676 -0.0112 0.00000
677 -0.0685 0.00000
678 -0.0289 0.00000
679 0.0309 0.00000
680 -0.0243 0.00000
681 -0.0087 0.00000
682 -0.0403 0.00000
683 -0.0071 0.00000
684 0.0386 0.00000
685 0.0049 0.00000
686 -0.0304 0.00000
687 -0.1257 0.00000
688 -0.0068 0.00000
689 -0.0443 0.00000
690 0.0401 0.00000
691 0.0317 0.00000
692 -0.0345 0.00000
693 -0.0423 0.00000
694 -0.0152 0.00000
695 -0.0601 0.00000
696 0.0107 0.00000
697 -0.0000 0.00000
698 -0.0498 0.00000
699 0.0309 0.00000
700 -0.0192 0.00000
701 0.0278 0.00000
702 -0.0008 0.00000
703 -0.0679 0.00000
704 -0.0255 0.00000
705 0.0289 0.00000
706 0.0162 0.00000
707 -0.0151 0.00000
708 -0.0255 0.00000
709 -0.0614 0.00000
710 0.0692 0.00000
711 -0.0111 0.00000
712 0.0457 0.00000
713 0.0442 0.00000
714 0.0252 0.00000
715 -0.0055 0.00000
716 -0.0281 0.00000
717 0.0130 0.00000
718 0.0375 0.00000
719 0.0127 0.00000
720 -0.1025 0.00000
721 0.0311 0.00000
722 0.0278 0.00000
723 0.0515 0.00000
724 -0.0441 0.00000
725 -0.0247 0.00000
726 -0.0157 0.00000
727 -0.0347 0.00000
728 -0.0160 0.00000
729 0.0003 0.00000
730 -0.0224 0.00000
731 -0.0052 0.00000
732 -0.0262 0.00000
733 -0.0482 0.00000
734 -0.0555 0.00000
735 -0.0178 0.00000
736 0.0184 0.00000
737 -0.0303 0.00000
738 -0.0429 0.00000
739 0.0157 0.00000
740 0.0523 0.00000
741 0.0076 0.00000
742 -0.0073 0.00000
743 -0.0195 0.00000
744 -0.0364 0.00000
745 0.0092 0.00000
746 -0.0372 0.00000
747 0.0025 0.00000
748 -0.0243 0.00000
749 -0.0054 0.00000
750 -0.0002 0.00000
751 -0.0018 0.00000
752 0.0222 0.00000
753 0.0172 0.00000
754 -0.0308 0.00000
755 -0.0653 0.00000
756 -0.0330 0.00000
757 -0.1017 0.00000
758 -0.0422 0.00000
759 -0.0708 0.00000
760 -0.0233 0.00000
761 -0.0435 0.00000
762 -0.0314 0.00000
763 -0.0144 0.00000
764 -0.0401 0.00000
765 0.0414 0.00000
766 -0.0223 0.00000
767 0.0136 0.00000
768 -0.0392 0.00000
769 0.0029 0.00000
770 0.0320 0.00000
771 -0.0257 0.00000
772 -0.0240 0.00000
773 -0.0067 0.00000
774 -0.0204 0.00000
775 -0.0063 0.00000
776 -0.0193 0.00000
777 0.0060 0.00000
778 0.0180 0.00000
779 -0.0760 0.00000
780 -0.0092 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0250 0.00000
4 -0.0640 0.00000
5 -0.1141 0.00000
6 -0.0793 0.00000
7 0.0363 0.00000
8 0.0033 0.00000
9 -0.2138 0.00000
10 -0.0381 0.00000
11 -0.1029 0.00000
12 0.0509 0.00000
13 0.0091 0.00000
14 0.0469 0.00000
15 -0.1535 0.00000
16 2.2780 0.00000
17 0.1980 0.00000
18 0.1428 0.00000
19 0.1810 0.00000
20 -0.0396 0.00000
21 -0.0519 0.00000
22 -0.0749 0.00000
23 -0.0294 0.00000
24 0.4452 0.00000
25 -0.0299 0.00000
26 -0.0998 0.00000
27 -0.0833 0.00000
28 -0.0074 0.00000
29 -0.0231 0.00000
30 -0.1447 0.00000
31 -0.4846 0.00000
32 0.3896 0.00000
33 0.0225 0.00000
34 0.0086 0.00000
35 0.0275 0.00000
36 -0.7481 0.00000
37 0.0599 0.00000
38 0.0324 0.00000
39 -0.0557 0.00000
40 -0.3387 0.00000
41 -0.0186 0.00000
42 -0.0485 0.00000
43 -0.0338 0.00000
44 -0.0132 0.00000
45 0.2685 0.00000
46 -0.0916 0.00000
47 0.1744 0.00000
48 0.5592 0.00000
49 -0.0461 0.00000
50 0.0097 0.00000
51 0.0334 0.00000
52 -0.0401 0.00000
53 -0.0015 0.00000
54 -0.0244 0.00000
55 -0.0317 0.00000
56 -0.5107 0.00000
57 -0.0594 0.00000
58 -0.0337 0.00000
59 -0.1289 0.00000
60 -0.0886 0.00000
61 -0.0707 0.00000
62 -0.0268 0.00000
63 0.0156 0.00000
64 -0.0850 0.00000
65 -0.0479 0.00000
66 -0.1772 0.00000
67 -0.2065 0.00000
68 -0.0796 0.00000
69 0.0619 0.00000
70 0.0570 0.00000
71 -0.0575 0.00000
72 -0.0159 0.00000
73 0.0427 0.00000
74 0.0591 0.00000
75 0.0757 0.00000
76 0.1052 0.00000
77 0.2262 0.00000
78 -0.0219 0.00000
79 -0.1017 0.00000
80 0.0154 0.00000
81 -0.1429 0.00000
82 0.0261 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2191 0.00000
89 0.1057 0.00000
90 0.0207 0.00000
91 -0.0352 0.00000
92 0.3371 0.00000
93 -0.1100 0.00000
94 -0.2548 0.00000
95 -0.1677 0.00000
96 -0.2285 0.00000
97 -0.0405 0.00000
98 0.1292 0.00000
99 0.0943 0.00000
100 -0.4221 0.00000
101 0.0239 0.00000
102 -0.0138 0.00000
103 -0.0384 0.00000
104 -0.0673 0.00000
105 0.0040 0.00000
106 -0.0141 0.00000
107 -0.1749 0.00000
108 0.1618 0.00000
109 0.3342 0.00000
110 -0.2115 0.00000
111 -0.0414 0.00000
112 0.1808 0.00000
113 0.0121 0.00000
114 0.1562 0.00000
115 -0.0746 0.00000
116 -0.1352 0.00000
117 -0.0852 0.00000
118 -0.1038 0.00000
119 -0.0858 0.00000
120 -0.0077 0.00000
121 -0.0785 0.00000
122 -0.0168 0.00000
123 0.0227 0.00000
124 -0.5093 0.00000
125 0.6713 0.00000
126 -0.0251 0.00000
127 -0.1228 0.00000
128 0.0067 0.00000
129 -0.1090 0.00000
130 -0.0318 0.00000
131 0.2164 0.00000
132 -0.1094 0.00000
133 -0.0875 0.00000
134 0.0458 0.00000
135 -0.0082 0.00000
136 -0.0623 0.00000
137 -0.4735 0.00000
138 -0.1320 0.00000
139 -0.0026 0.00000
140 -0.0020 0.00000
141 -0.0005 0.00000
142 -0.1252 0.00000
143 -0.0078 0.00000
144 -0.0264 0.00000
145 -0.0526 0.00000
146 -0.0975 0.00000
147 -0.0282 0.00000
148 -0.0112 0.00000
149 -0.1073 0.00000
150 -0.0026 0.00000
151 -0.0104 0.00000
152 -0.0905 0.00000
153 -0.0089 0.00000
154 -0.0160 0.00000
155 0.0967 0.00000
156 -0.0772 0.00000
157 -0.0885 0.00000
158 0.4499 0.00000
159 0.2703 0.00000
160 0.1193 0.00000
161 0.2660 0.00000
162 0.1060 0.00000
163 0.0563 0.00000
164 -0.0728 0.00000
165 0.0038 0.00000
166 -0.0142 0.00000
167 -0.1867 0.00000
168 -0.0503 0.00000
169 -0.0577 0.00000
170 -0.0328 0.00000
171 0.1810 0.00000
172 0.0818 0.00000
173 0.0672 0.00000
174 0.0028 0.00000
175 -0.0618 0.00000
176 0.0292 0.00000
177 0.0327 0.00000
178 -0.0368 0.00000
179 -0.1457 0.00000
180 -0.0023 0.00000
181 -0.1428 0.00000
182 -0.1181 0.00000
183 0.0141 0.00000
184 -0.0629 0.00000
185 -0.0256 0.00000
186 0.0754 0.00000
187 0.1421 0.00000
188 0.0148 0.00000
189 -0.0311 0.00000
190 -0.0384 0.00000
191 0.0018 0.00000
192 0.0995 0.00000
193 0.1361 0.00000
194 -0.0386 0.00000
195 0.0801 0.00000
196 -0.0292 0.00000
197 -0.0545 0.00000
198 -0.0903 0.00000
199 -0.0384 0.00000
200 0.0021 0.00000
201 -0.0457 0.00000
202 -0.0035 0.00000
203 -0.0319 0.00000
204 -0.1342 0.00000
205 -0.1499 0.00000
206 0.0319 0.00000
207 -0.0227 0.00000
208 0.0097 0.00000
209 0.0046 0.00000
210 0.1740 0.00000
211 0.1406 0.00000
212 -0.0449 0.00000
213 -0.0527 0.00000
214 0.0112 0.00000
215 -0.0190 0.00000
216 -0.0383 0.00000
217 -0.1069 0.00000
218 0.0566 0.00000
219 0.0079 0.00000
220 0.0134 0.00000
221 -0.0278 0.00000
222 0.0618 0.00000
223 0.1397 0.00000
224 0.2780 0.00000
225 -0.0751 0.00000
226 -0.0417 0.00000
227 0.0991 0.00000
228 0.0120 0.00000
229 -0.0269 0.00000
230 0.0663 0.00000
231 0.1382 0.00000
232 0.1000 0.00000
233 -0.0026 0.00000
234 -0.0586 0.00000
235 -0.0627 0.00000
236 -0.0202 0.00000
237 -0.1556 0.00000
238 0.0318 0.00000
239 0.0871 0.00000
240 0.0198 0.00000
241 0.0878 0.00000
242 0.1013 0.00000
243 0.0013 0.00000
244 0.1668 0.00000
245 0.0534 0.00000
246 0.0145 0.00000
247 -0.0358 0.00000
248 -0.0276 0.00000
249 -0.0040 0.00000
250 -0.0313 0.00000
251 -0.0183 0.00000
252 -0.7088 0.00000
253 -0.0662 0.00000
254 -0.0218 0.00000
255 -0.0097 0.00000
256 0.0327 0.00000
257 -0.0011 0.00000
258 0.0064 0.00000
259 0.0107 0.00000
260 0.0474 0.00000
261 0.0613 0.00000
262 -0.0104 0.00000
263 0.1136 0.00000
264 0.1163 0.00000
265 -0.0392 0.00000
266 0.0007 0.00000
267 -0.0028 0.00000
268 -0.0634 0.00000
269 -0.0008 0.00000
270 -0.0062 0.00000
271 0.0222 0.00000
272 0.0191 0.00000
273 0.0095 0.00000
274 -0.0322 0.00000
275 -0.0687 0.00000
276 0.0516 0.00000
277 -0.1136 0.00000
278 -0.0360 0.00000
279 0.0843 0.00000
280 0.0163 0.00000
281 0.0239 0.00000
282 0.0086 0.00000
283 -0.1132 0.00000
284 -0.0229 0.00000
285 -0.0410 0.00000
286 -0.0508 0.00000
287 -0.0822 0.00000
288 -0.0178 0.00000
289 0.0129 0.00000
290 -0.0895 0.00000
291 0.0887 0.00000
292 0.0683 0.00000
293 0.2864 0.00000
294 -0.1423 0.00000
295 -0.1381 0.00000
296 0.0313 0.00000
297 0.2808 0.00000
298 0.0136 0.00000
299 0.0536 0.00000
300 0.0175 0.00000
301 0.0198 0.00000
302 0.0347 0.00000
303 -0.0270 0.00000
304 0.0478 0.00000
305 0.0281 0.00000
306 -0.0860 0.00000
307 0.2590 0.00000
308 -0.0085 0.00000
309 -0.0192 0.00000
310 -0.1516 0.00000
311 -0.0461 0.00000
312 -0.0885 0.00000
313 0.1050 0.00000
314 -0.0265 0.00000
315 -0.0069 0.00000
316 0.0669 0.00000
317 -0.0289 0.00000
318 -0.0079 0.00000
319 -0.0433 0.00000
320 0.0031 0.00000
321 -0.0652 0.00000
322 -0.0057 0.00000
323 -0.0792 0.00000
324 -0.0387 0.00000
325 0.0076 0.00000
326 -0.0351 0.00000
327 0.0662 0.00000
328 -0.0366 0.00000
329 0.1035 0.00000
330 -0.0065 0.00000
331 0.0361 0.00000
332 0.0666 0.00000
333 -0.0513 0.00000
334 0.1085 0.00000
335 -0.1092 0.00000
336 -0.0012 0.00000
337 -0.0820 0.00000
338 -0.0636 0.00000
339 -0.0382 0.00000
340 0.0360 0.00000
341 -0.0094 0.00000
342 0.0217 0.00000
343 -0.0381 0.00000
344 0.0188 0.00000
345 -0.0878 0.00000
346 -0.0500 0.00000
347 0.1081 0.00000
348 0.0832 0.00000
349 0.1002 0.00000
350 -0.0022 0.00000
351 -0.0732 0.00000
352 0.0236 0.00000
353 -0.0149 0.00000
354 -0.1098 0.00000
355 -0.0672 0.00000
356 -0.0449 0.00000
357 -0.1358 0.00000
358 -0.0557 0.00000
359 -0.0380 0.00000
360 -0.0233 0.00000
361 -0.0172 0.00000
362 -0.0457 0.00000
363 0.0192 0.00000
364 -0.0134 0.00000
365 -0.0817 0.00000
366 0.1230 0.00000
367 -0.0357 0.00000
368 -0.0567 0.00000
369 -0.0037 0.00000
370 0.0216 0.00000
371 -0.0282 0.00000
372 -0.0422 0.00000
373 0.0186 0.00000
374 0.0223 0.00000
375 0.0903 0.00000
376 -0.0406 0.00000
377 0.0313 0.00000
378 -0.1255 0.00000
379 -0.0373 0.00000
380 0.0683 0.00000
381 0.0782 0.00000
382 0.0617 0.00000
383 0.0074 0.00000
384 -0.0549 0.00000
385 -0.0672 0.00000
386 0.0246 0.00000
387 -0.0359 0.00000
388 0.0561 0.00000
389 0.0098 0.00000
390 0.0764 0.00000
391 -0.0104 0.00000
392 -0.0985 0.00000
393 -0.0243 0.00000
394 -0.0631 0.00000
395 -0.0222 0.00000
396 -0.1015 0.00000
397 0.0149 0.00000
398 -0.0143 0.00000
399 -0.0421 0.00000
400 -0.0556 0.00000
401 0.1279 0.00000
402 -0.0063 0.00000
403 -0.0423 0.00000
404 -0.0870 0.00000
405 0.0464 0.00000
406 -0.0031 0.00000
407 -0.1073 0.00000
408 -0.0017 0.00000
409 -0.0570 0.00000
410 -0.0127 0.00000
411 -0.0161 0.00000
412 0.0192 0.00000
413 -0.0147 0.00000
414 -0.1206 0.00000
415 -0.0463 0.00000
416 -0.0907 0.00000
417 0.0080 0.00000
418 0.0784 0.00000
419 -0.0096 0.00000
420 -0.0062 0.00000
421 -0.0100 0.00000
422 0.1268 0.00000
423 0.0090 0.00000
424 -0.0293 0.00000
425 0.0009 0.00000
426 -0.0870 0.00000
427 -0.0279 0.00000
428 0.0267 0.00000
429 0.0689 0.00000
430 -0.0091 0.00000
431 0.0770 0.00000
432 0.0493 0.00000
433 -0.0110 0.00000
434 0.0399 0.00000
435 0.0774 0.00000
436 -0.0955 0.00000
437 0.0106 0.00000
438 0.0205 0.00000
439 0.0022 0.00000
440 0.0820 0.00000
441 0.0287 0.00000
442 -0.0149 0.00000
443 -0.0004 0.00000
444 -0.1766 0.00000
445 -0.1100 0.00000
446 0.0877 0.00000
447 0.0117 0.00000
448 -0.1008 0.00000
449 0.1333 0.00000
450 0.0158 0.00000
451 -0.0435 0.00000
452 -0.1074 0.00000
453 0.0171 0.00000
454 0.0660 0.00000
455 0.0899 0.00000
456 -0.0269 0.00000
457 -0.0190 0.00000
458 -0.0503 0.00000
459 0.0158 0.00000
460 -0.0001 0.00000
461 0.0572 0.00000
462 -0.0322 0.00000
463 0.1474 0.00000
464 0.1132 0.00000
465 0.0643 0.00000
466 -0.0034 0.00000
467 -0.0810 0.00000
468 -0.0594 0.00000
469 -0.0699 0.00000
470 0.0347 0.00000
471 -0.0339 0.00000
472 0.0741 0.00000
473 -0.0076 0.00000
474 0.0289 0.00000
475 -0.1090 0.00000
476 0.0184 0.00000
477 0.0044 0.00000
478 -0.0718 0.00000
479 0.1480 0.00000
480 0.1444 0.00000
481 -0.0714 0.00000
482 -0.2446 0.00000
483 -0.0005 0.00000
484 0.0297 0.00000
485 0.1206 0.00000
486 0.0085 0.00000
487 0.0940 0.00000
488 -0.1368 0.00000
489 -0.0939 0.00000
490 -0.0319 0.00000
491 0.1689 0.00000
492 0.0427 0.00000
493 -0.0113 0.00000
494 -0.0134 0.00000
495 -0.0165 0.00000
496 0.0348 0.00000
497 0.0265 0.00000
498 -0.1066 0.00000
499 0.0437 0.00000
500 -0.0729 0.00000
501 0.0261 0.00000
502 0.0424 0.00000
503 0.0021 0.00000
504 -0.0601 0.00000
505 -0.0731 0.00000
506 -0.0087 0.00000
507 0.0075 0.00000
508 0.0776 0.00000
509 0.0825 0.00000
510 -0.0127 0.00000
511 0.0035 0.00000
512 -0.0425 0.00000
513 -0.0509 0.00000
514 0.0282 0.00000
515 -0.0309 0.00000
516 -0.0689 0.00000
517 0.0247 0.00000
518 -0.0458 0.00000
519 -0.0043 0.00000
520 -0.0133 0.00000
521 -0.0322 0.00000
522 -0.0338 0.00000
523 -0.1253 0.00000
524 -0.0008 0.00000
525 -0.0264 0.00000
526 0.0326 0.00000
527 -0.0265 0.00000
528 -0.0474 0.00000
529 0.0377 0.00000
530 0.0903 0.00000
531 -0.0060 0.00000
532 0.0753 0.00000
533 -0.1251 0.00000
534 -0.0147 0.00000
535 -0.0045 0.00000
536 -0.0020 0.00000
537 -0.0610 0.00000
538 -0.0420 0.00000
539 -0.0980 0.00000
540 0.0093 0.00000
541 0.0106 0.00000
542 -0.0010 0.00000
543 -0.0023 0.00000
544 -0.0071 0.00000
545 -0.0654 0.00000
546 0.0221 0.00000
547 0.0445 0.00000
548 -0.0393 0.00000
549 0.0611 0.00000
550 0.0361 0.00000
551 0.0492 0.00000
552 -0.0044 0.00000
553 -0.0010 0.00000
554 -0.0206 0.00000
555 -0.0658 0.00000
556 -0.1149 0.00000
557 0.0355 0.00000
558 0.0081 0.00000
559 0.2520 0.00000
560 -0.0222 0.00000
561 -0.0406 0.00000
562 0.0564 0.00000
563 0.1151 0.00000
564 0.0605 0.00000
565 -0.0589 0.00000
566 0.0039 0.00000
567 0.0098 0.00000
568 0.0000 0.00000
569 -0.0351 0.00000
570 0.0738 0.00000
571 -0.0302 0.00000
572 -0.0054 0.00000
573 -0.1001 0.00000
574 -0.0631 0.00000
575 0.3061 0.00000
576 -0.2507 0.00000
577 -0.0492 0.00000
578 -0.1309 0.00000
579 -0.0526 0.00000
580 -0.1312 0.00000
581 -0.1388 0.00000
582 -0.0838 0.00000
583 0.0400 0.00000
584 -0.0825 0.00000
585 -0.1399 0.00000
586 -0.0053 0.00000
587 0.0346 0.00000
588 -0.0435 0.00000
589 0.0372 0.00000
590 -0.0752 0.00000
591 0.0056 0.00000
592 0.0049 0.00000
593 0.0433 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1118 0.00000
597 0.1045 0.00000
598 0.0792 0.00000
599 0.0529 0.00000
600 0.0018 0.00000
601 0.0557 0.00000
602 -0.0015 0.00000
603 -0.0761 0.00000
604 -0.0386 0.00000
605 -0.0165 0.00000
606 0.0286 0.00000
607 0.0848 0.00000
608 0.0470 0.00000
609 0.0418 0.00000
610 -0.0274 0.00000
611 0.0098 0.00000
612 0.0765 0.00000
613 -0.0578 0.00000
614 -0.0311 0.00000
615 0.0569 0.00000
616 0.0337 0.00000
617 -0.0923 0.00000
618 -0.0010 0.00000
619 0.0546 0.00000
620 0.0456 0.00000
621 0.0343 0.00000
622 -0.0420 0.00000
623 -0.0579 0.00000
624 -0.0511 0.00000
625 0.0305 0.00000
626 -0.0520 0.00000
627 -0.0761 0.00000
628 0.0301 0.00000
629 -0.0173 0.00000
630 0.0123 0.00000
631 -0.0056 0.00000
632 0.1003 0.00000
633 0.0334 0.00000
634 -0.0141 0.00000
635 -0.0025 0.00000
636 -0.0152 0.00000
637 0.0084 0.00000
638 0.0191 0.00000
639 -0.0373 0.00000
640 -0.1057 0.00000
641 0.0486 0.00000
642 -0.0009 0.00000
643 0.0531 0.00000
644 -0.0336 0.00000
645 0.0299 0.00000
646 0.0458 0.00000
647 0.0046 0.00000
648 -0.0060 0.00000
649 -0.0228 0.00000
650 0.0018 0.00000
651 -0.0275 0.00000
652 -0.0409 0.00000
653 -0.0041 0.00000
654 -0.0261 0.00000
655 -0.0140 0.00000
656 0.0244 0.00000
657 -0.0713 0.00000
658 0.0507 0.00000
659 -0.0571 0.00000
660 -0.0171 0.00000
661 0.0624 0.00000
662 -0.0041 0.00000
663 -0.0116 0.00000
664 -0.0254 0.00000
665 -0.0604 0.00000
666 -0.0382 0.00000
667 -0.0135 0.00000
668 -0.0083 0.00000
669 -0.0777 0.00000
670 -0.0398 0.00000
671 -0.0143 0.00000
672 0.0041 0.00000
673 0.0145 0.00000
674 -0.0473 0.00000
675 -0.0361 0.00000
676 -0.0280 0.00000
677 -0.0490 0.00000
678 0.0065 0.00000
679 0.0050 0.00000
680 -0.0860 0.00000
681 -0.0602 0.00000
682 -0.0103 0.00000
683 -0.0251 0.00000
684 0.0189 0.00000
685 -0.0259 0.00000
686 0.0132 0.00000
687 0.0190 0.00000
688 0.0658 0.00000
689 0.0413 0.00000
690 0.0166 0.00000
691 0.0372 0.00000
692 -0.0568 0.00000
693 0.0010 0.00000
694 0.0574 0.00000
695 0.0388 0.00000
696 -0.0446 0.00000
697 -0.0152 0.00000
698 -0.0546 0.00000
699 0.0024 0.00000
700 0.0088 0.00000
701 0.0020 0.00000
702 -0.0207 0.00000
703 0.0194 0.00000
704 -0.0071 0.00000
705 -0.0783 0.00000
706 0.0020 0.00000
707 -0.0536 0.00000
708 0.0302 0.00000
709 0.0181 0.00000
710 -0.0135 0.00000
711 -0.0066 0.00000
712 0.0369 0.00000
713 0.0070 0.00000
714 0.0481 0.00000
715 -0.0256 0.00000
716 -0.0572 0.00000
717 -0.0297 0.00000
718 0.0253 0.00000
719 -0.0299 0.00000
720 -0.0304 0.00000
721 -0.0368 0.00000
722 0.0328 0.00000
723 -0.0097 0.00000
724 0.0357 0.00000
725 -0.0033 0.00000
726 -0.0125 0.00000
727 -0.0372 0.00000
728 -0.0030 0.00000
729 -0.0396 0.00000
730 -0.0485 0.00000
731 -0.0055 0.00000
732 -0.0823 0.00000
733 -0.0193 0.00000
734 -0.1022 0.00000
735 -0.0139 0.00000
736 -0.0661 0.00000
737 0.0336 0.00000
738 0.0285 0.00000
739 0.0222 0.00000
740 0.0104 0.00000
741 -0.0401 0.00000
742 -0.0052 0.00000
743 -0.0211 0.00000
744 -0.0477 0.00000
745 -0.0049 0.00000
746 0.0192 0.00000
747 -0.0043 0.00000
748 -0.0144 0.00000
749 0.0764 0.00000
750 -0.0440 0.00000
751 0.0082 0.00000
752 -0.0540 0.00000
753 -0.0394 0.00000
754 0.0381 0.00000
755 -0.0360 0.00000
756 -0.0169 0.00000
757 0.0417 0.00000
758 0.0671 0.00000
759 -0.0122 0.00000
760 0.0059 0.00000
761 -0.0832 0.00000
762 -0.0900 0.00000
763 0.0109 0.00000
764 -0.0053 0.00000
765 -0.0322 0.00000
766 -0.0452 0.00000
767 -0.0406 0.00000
768 -0.0264 0.00000
769 -0.0026 0.00000
770 -0.0003 0.00000
771 -0.0147 0.00000
772 -0.0187 0.00000
773 0.0619 0.00000
774 -0.0207 0.00000
775 0.0091 0.00000
776 -0.0350 0.00000
777 -0.0620 0.00000
778 -0.0529 0.00000
779 0.0151 0.00000
780 -0.0081 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0250 0.00000
4 -0.0633 0.00000
5 -0.1150 0.00000
6 -0.0778 0.00000
7 0.0351 0.00000
8 0.0032 0.00000
9 -0.2134 0.00000
10 -0.0407 0.00000
11 -0.1029 0.00000
12 0.0535 0.00000
13 0.0084 0.00000
14 0.0466 0.00000
15 -0.1536 0.00000
16 2.1046 0.00000
17 -0.0209 0.00000
18 0.5217 0.00000
19 0.1014 0.00000
20 0.0387 0.00000
21 -0.0519 0.00000
22 -0.0616 0.00000
23 0.0037 0.00000
24 0.5051 0.00000
25 -0.1142 0.00000
26 -0.0756 0.00000
27 -0.1127 0.00000
28 -0.0962 0.00000
29 -0.0107 0.00000
30 -0.1277 0.00000
31 -0.4905 0.00000
32 0.4191 0.00000
33 0.0001 0.00000
34 0.0127 0.00000
35 0.0148 0.00000
36 -0.6244 0.00000
37 -0.0382 0.00000
38 0.0642 0.00000
39 -0.2376 0.00000
40 -0.0339 0.00000
41 -0.0201 0.00000
42 -0.1519 0.00000
43 -0.0346 0.00000
44 -0.1563 0.00000
45 0.4555 0.00000
46 0.1647 0.00000
47 -0.0921 0.00000
48 0.3820 0.00000
49 -0.0191 0.00000
50 0.0798 0.00000
51 -0.0485 0.00000
52 0.1443 0.00000
53 0.0027 0.00000
54 0.0168 0.00000
55 -0.0233 0.00000
56 -0.6072 0.00000
57 -0.0597 0.00000
58 -0.0757 0.00000
59 0.0607 0.00000
60 -0.2330 0.00000
61 -0.0969 0.00000
62 -0.1146 0.00000
63 0.1157 0.00000
64 -0.0622 0.00000
65 -0.0687 0.00000
66 -0.1932 0.00000
67 -0.1751 0.00000
68 -0.1084 0.00000
69 0.0597 0.00000
70 0.0614 0.00000
71 -0.0590 0.00000
72 -0.0160 0.00000
73 0.0450 0.00000
74 0.0602 0.00000
75 0.0174 0.00000
76 0.1568 0.00000
77 0.2179 0.00000
78 -0.1237 0.00000
79 0.0115 0.00000
80 0.0154 0.00000
81 -0.1427 0.00000
82 0.0261 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2191 0.00000
89 0.1065 0.00000
90 0.0078 0.00000
91 0.1471 0.00000
92 0.1793 0.00000
93 -0.1197 0.00000
94 -0.2591 0.00000
95 -0.1572 0.00000
96 -0.2331 0.00000
97 -0.0830 0.00000
98 0.0211 0.00000
99 0.1688 0.00000
100 -0.1968 0.00000
101 -0.1195 0.00000
102 -0.0019 0.00000
103 -0.0823 0.00000
104 -0.0364 0.00000
105 0.0306 0.00000
106 -0.0573 0.00000
107 -0.2964 0.00000
108 0.4253 0.00000
109 -0.0996 0.00000
110 0.1580 0.00000
111 -0.0861 0.00000
112 0.2123 0.00000
113 0.0493 0.00000
114 0.1041 0.00000
115 -0.0252 0.00000
116 -0.2335 0.00000
117 -0.0838 0.00000
118 -0.1046 0.00000
119 -0.0394 0.00000
120 -0.0832 0.00000
121 -0.0288 0.00000
122 -0.0101 0.00000
123 -0.2068 0.00000
124 -0.3195 0.00000
125 0.6981 0.00000
126 -0.0212 0.00000
127 -0.1445 0.00000
128 0.0162 0.00000
129 -0.1357 0.00000
130 -0.0124 0.00000
131 0.1491 0.00000
132 -0.0648 0.00000
133 -0.0715 0.00000
134 0.0540 0.00000
135 -0.0089 0.00000
136 -0.0328 0.00000
137 -0.5580 0.00000
138 -0.0749 0.00000
139 -0.0005 0.00000
140 0.0009 0.00000
141 0.0009 0.00000
142 -0.1242 0.00000
143 -0.0137 0.00000
144 -0.0212 0.00000
145 -0.0540 0.00000
146 -0.0975 0.00000
147 -0.0283 0.00000
148 -0.0131 0.00000
149 -0.1031 0.00000
150 -0.0070 0.00000
151 -0.1267 0.00000
152 0.1436 0.00000
153 -0.0710 0.00000
154 -0.1100 0.00000
155 0.1546 0.00000
156 -0.0381 0.00000
157 0.0131 0.00000
158 0.1909 0.00000
159 0.0538 0.00000
160 0.5389 0.00000
161 0.0798 0.00000
162 0.0367 0.00000
163 0.2316 0.00000
164 -0.0132 0.00000
165 -0.0058 0.00000
166 -0.0331 0.00000
167 -0.0731 0.00000
168 0.0210 0.00000
169 -0.0582 0.00000
170 -0.1254 0.00000
171 0.0164 0.00000
172 -0.0443 0.00000
173 0.0585 0.00000
174 0.2051 0.00000
175 -0.1908 0.00000
176 -0.0891 0.00000
177 -0.1058 0.00000
178 -0.0418 0.00000
179 0.0592 0.00000
180 0.0935 0.00000
181 0.0108 0.00000
182 0.0409 0.00000
183 -0.0517 0.00000
184 -0.2445 0.00000
185 -0.0359 0.00000
186 -0.0182 0.00000
187 0.0524 0.00000
188 0.0172 0.00000
189 0.0046 0.00000
190 0.2926 0.00000
191 -0.0247 0.00000
192 0.0640 0.00000
193 -0.0155 0.00000
194 -0.0768 0.00000
195 0.1352 0.00000
196 -0.0306 0.00000
197 -0.0584 0.00000
198 -0.1043 0.00000
199 -0.0393 0.00000
200 0.0617 0.00000
201 -0.0337 0.00000
202 -0.1405 0.00000
203 0.0455 0.00000
204 -0.1323 0.00000
205 -0.0993 0.00000
206 -0.0056 0.00000
207 0.0132 0.00000
208 -0.0043 0.00000
209 -0.0144 0.00000
210 0.0956 0.00000
211 0.1492 0.00000
212 -0.0405 0.00000
213 -0.0992 0.00000
214 0.0722 0.00000
215 -0.0240 0.00000
216 -0.1201 0.00000
217 0.0289 0.00000
218 0.0944 0.00000
219 0.0626 0.00000
220 -0.0231 0.00000
221 -0.0765 0.00000
222 0.0935 0.00000
223 -0.0194 0.00000
224 0.3969 0.00000
225 -0.0755 0.00000
226 -0.0393 0.00000
227 0.0964 0.00000
228 0.0117 0.00000
229 -0.0289 0.00000
230 0.0644 0.00000
231 0.1376 0.00000
232 0.0815 0.00000
233 0.0159 0.00000
234 -0.0574 0.00000
235 -0.0896 0.00000
236 -0.0087 0.00000
237 0.0411 0.00000
238 -0.1488 0.00000
239 0.0608 0.00000
240 0.0937 0.00000
241 0.0241 0.00000
242 0.0854 0.00000
243 0.1169 0.00000
244 0.0394 0.00000
245 0.0365 0.00000
246 0.0564 0.00000
247 -0.0227 0.00000
248 -0.0204 0.00000
249 0.0065 0.00000
250 -0.0656 0.00000
251 -0.0929 0.00000
252 -0.4627 0.00000
253 -0.0609 0.00000
254 -0.0393 0.00000
255 -0.1183 0.00000
256 -0.0467 0.00000
257 0.0850 0.00000
258 0.0085 0.00000
259 0.0278 0.00000
260 -0.0604 0.00000
261 0.0899 0.00000
262 0.1564 0.00000
263 0.0451 0.00000
264 0.0160 0.00000
265 0.0207 0.00000
266 -0.0356 0.00000
267 -0.0220 0.00000
268 -0.0514 0.00000
269 -0.0448 0.00000
270 -0.0113 0.00000
271 0.0323 0.00000
272 0.0045 0.00000
273 0.0362 0.00000
274 -0.0076 0.00000
275 -0.0396 0.00000
276 0.0736 0.00000
277 -0.0195 0.00000
278 -0.0518 0.00000
279 -0.0293 0.00000
280 0.0011 0.00000
281 -0.0913 0.00000
282 -0.0794 0.00000
283 0.0181 0.00000
284 -0.0125 0.00000
285 -0.1030 0.00000
286 -0.1738 0.00000
287 -0.0155 0.00000
288 0.0160 0.00000
289 0.1297 0.00000
290 0.0995 0.00000
291 0.0059 0.00000
292 0.0191 0.00000
293 0.0131 0.00000
294 0.1466 0.00000
295 -0.1414 0.00000
296 -0.0065 0.00000
297 0.1933 0.00000
298 0.0053 0.00000
299 0.0766 0.00000
300 0.1109 0.00000
301 0.0388 0.00000
302 0.1501 0.00000
303 -0.0394 0.00000
304 0.0548 0.00000
305 -0.0776 0.00000
306 -0.0528 0.00000
307 0.0936 0.00000
308 0.0059 0.00000
309 0.0141 0.00000
310 -0.0410 0.00000
311 -0.0784 0.00000
312 -0.0055 0.00000
313 0.0005 0.00000
314 0.0343 0.00000
315 -0.0989 0.00000
316 -0.0096 0.00000
317 -0.0179 0.00000
318 -0.0231 0.00000
319 0.1033 0.00000
320 -0.0169 0.00000
321 0.0216 0.00000
322 -0.0539 0.00000
323 -0.0726 0.00000
324 -0.0185 0.00000
325 0.0439 0.00000
326 0.0551 0.00000
327 -0.0833 0.00000
328 0.1227 0.00000
329 -0.0171 0.00000
330 -0.1068 0.00000
331 -0.0554 0.00000
332 -0.0883 0.00000
333 -0.0328 0.00000
334 0.0464 0.00000
335 -0.0291 0.00000
336 -0.0160 0.00000
337 0.1033 0.00000
338 -0.0638 0.00000
339 -0.0548 0.00000
340 0.0245 0.00000
341 -0.0183 0.00000
342 0.0656 0.00000
343 0.0170 0.00000
344 -0.0655 0.00000
345 0.1745 0.00000
346 0.1320 0.00000
347 -0.0198 0.00000
348 -0.1376 0.00000
349 -0.1480 0.00000
350 -0.0083 0.00000
351 -0.0390 0.00000
352 -0.0220 0.00000
353 -0.0161 0.00000
354 -0.0280 0.00000
355 -0.0148 0.00000
356 -0.0096 0.00000
357 -0.0328 0.00000
358 -0.1162 0.00000
359 -0.0690 0.00000
360 -0.0153 0.00000
361 -0.0070 0.00000
362 -0.0435 0.00000
363 -0.0071 0.00000
364 -0.0461 0.00000
365 0.1718 0.00000
366 0.0118 0.00000
367 -0.0520 0.00000
368 -0.0323 0.00000
369 -0.0500 0.00000
370 -0.0539 0.00000
371 -0.0182 0.00000
372 -0.0155 0.00000
373 0.2540 0.00000
374 -0.0018 0.00000
375 -0.1601 0.00000
376 0.0156 0.00000
377 -0.0184 0.00000
378 -0.0251 0.00000
379 0.0256 0.00000
380 -0.0615 0.00000
381 -0.0090 0.00000
382 -0.0778 0.00000
383 0.0061 0.00000
384 0.0334 0.00000
385 0.1942 0.00000
386 -0.0226 0.00000
387 0.0835 0.00000
388 -0.0755 0.00000
389 -0.0171 0.00000
390 0.0244 0.00000
391 -0.0089 0.00000
392 -0.0424 0.00000
393 -0.0387 0.00000
394 -0.0718 0.00000
395 -0.0117 0.00000
396 0.1157 0.00000
397 -0.0106 0.00000
398 -0.0175 0.00000
399 -0.0252 0.00000
400 -0.0510 0.00000
401 -0.0150 0.00000
402 -0.0541 0.00000
403 -0.0469 0.00000
404 -0.0274 0.00000
405 -0.0215 0.00000
406 -0.0523 0.00000
407 -0.0190 0.00000
408 0.0107 0.00000
409 -0.0563 0.00000
410 -0.0013 0.00000
411 -0.0755 0.00000
412 -0.1046 0.00000
413 -0.0800 0.00000
414 0.0177 0.00000
415 -0.0589 0.00000
416 -0.0076 0.00000
417 0.0213 0.00000
418 -0.0123 0.00000
419 0.0360 0.00000
420 0.0755 0.00000
421 -0.0667 0.00000
422 -0.0196 0.00000
423 -0.0526 0.00000
424 0.0642 0.00000
425 -0.0477 0.00000
426 0.0258 0.00000
427 0.1218 0.00000
428 0.0209 0.00000
429 -0.1332 0.00000
430 0.0465 0.00000
431 -0.0245 0.00000
432 0.0061 0.00000
433 0.0025 0.00000
434 -0.1053 0.00000
435 0.0246 0.00000
436 0.0447 0.00000
437 0.1030 0.00000
438 -0.0157 0.00000
439 0.0367 0.00000
440 0.0029 0.00000
441 0.0313 0.00000
442 -0.0472 0.00000
443 -0.0040 0.00000
444 0.0521 0.00000
445 -0.0427 0.00000
446 0.0284 0.00000
447 0.0418 0.00000
448 0.0233 0.00000
449 -0.0271 0.00000
450 0.0202 0.00000
451 -0.0786 0.00000
452 -0.0300 0.00000
453 0.1762 0.00000
454 -0.0245 0.00000
455 0.0904 0.00000
456 -0.0159 0.00000
457 -0.0902 0.00000
458 0.0201 0.00000
459 -0.0072 0.00000
460 0.0188 0.00000
461 0.0896 0.00000
462 -0.0198 0.00000
463 0.0859 0.00000
464 0.0003 0.00000
465 0.1572 0.00000
466 0.0245 0.00000
467 -0.0623 0.00000
468 0.0517 0.00000
469 0.0184 0.00000
470 0.0074 0.00000
471 -0.0332 0.00000
472 0.0076 0.00000
473 -0.1247 0.00000
474 -0.0329 0.00000
475 -0.2111 0.00000
476 -0.0282 0.00000
477 -0.1072 0.00000
478 0.0054 0.00000
479 -0.1288 0.00000
480 0.4247 0.00000
481 0.1912 0.00000
482 -0.2524 0.00000
483 0.0209 0.00000
484 -0.0788 0.00000
485 -0.0769 0.00000
486 0.0145 0.00000
487 -0.0214 0.00000
488 -0.0397 0.00000
489 0.0399 0.00000
490 0.0352 0.00000
491 0.0938 0.00000
492 -0.0675 0.00000
493 -0.0779 0.00000
494 0.1136 0.00000
495 -0.0662 0.00000
496 -0.0516 0.00000
497 -0.0109 0.00000
498 0.0048 0.00000
499 0.0264 0.00000
500 -0.0720 0.00000
501 0.1647 0.00000
502 0.0236 0.00000
503 -0.0501 0.00000
504 0.0075 0.00000
505 -0.0533 0.00000
506 0.0504 0.00000
507 0.0299 0.00000
508 -0.0165 0.00000
509 0.0514 0.00000
510 -0.0077 0.00000
511 0.0483 0.00000
512 -0.0357 0.00000
513 -0.0976 0.00000
514 -0.0073 0.00000
515 -0.0460 0.00000
516 0.0556 0.00000
517 0.0332 0.00000
518 -0.1010 0.00000
519 0.1576 0.00000
520 -0.0839 0.00000
521 -0.0115 0.00000
522 -0.0571 0.00000
523 0.0079 0.00000
524 -0.0382 0.00000
525 -0.0337 0.00000
526 0.0461 0.00000
527 -0.0471 0.00000
528 -0.0102 0.00000
529 0.0052 0.00000
530 -0.0488 0.00000
531 -0.0434 0.00000
532 0.0716 0.00000
533 -0.0338 0.00000
534 -0.0834 0.00000
535 -0.0562 0.00000
536 -0.0388 0.00000
537 -0.0241 0.00000
538 -0.0054 0.00000
539 0.0016 0.00000
540 -0.1078 0.00000
541 -0.0002 0.00000
542 -0.0122 0.00000
543 -0.0355 0.00000
544 -0.0343 0.00000
545 -0.0514 0.00000
546 -0.0065 0.00000
547 0.0261 0.00000
548 -0.0811 0.00000
549 0.0712 0.00000
550 0.0395 0.00000
551 0.0653 0.00000
552 0.0205 0.00000
553 0.0541 0.00000
554 -0.0151 0.00000
555 0.0231 0.00000
556 0.0096 0.00000
557 -0.0890 0.00000
558 0.2754 0.00000
559 -0.0484 0.00000
560 0.0567 0.00000
561 0.0430 0.00000
562 0.0221 0.00000
563 0.0567 0.00000
564 -0.0800 0.00000
565 0.0097 0.00000
566 0.0866 0.00000
567 0.0393 0.00000
568 -0.0747 0.00000
569 0.0928 0.00000
570 0.0448 0.00000
571 -0.1565 0.00000
572 -0.0429 0.00000
573 -0.0598 0.00000
574 0.0854 0.00000
575 -0.0909 0.00000
576 -0.0552 0.00000
577 -0.0940 0.00000
578 0.0045 0.00000
579 -0.1295 0.00000
580 -0.0139 0.00000
581 -0.1881 0.00000
582 -0.0235 0.00000
583 -0.0791 0.00000
584 -0.0648 0.00000
585 -0.1330 0.00000
586 0.0008 0.00000
587 0.0358 0.00000
588 -0.0369 0.00000
589 0.0370 0.00000
590 -0.0758 0.00000
591 -0.0012 0.00000
592 0.0100 0.00000
593 0.0434 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1118 0.00000
597 0.1047 0.00000
598 0.0698 0.00000
599 0.1381 0.00000
600 -0.0721 0.00000
601 0.0293 0.00000
602 -0.0559 0.00000
603 -0.0359 0.00000
604 -0.0199 0.00000
605 0.0308 0.00000
606 0.0787 0.00000
607 0.0222 0.00000
608 0.0404 0.00000
609 0.0407 0.00000
610 0.0512 0.00000
611 -0.0711 0.00000
612 0.0426 0.00000
613 -0.0571 0.00000
614 0.0480 0.00000
615 -0.0119 0.00000
616 -0.0110 0.00000
617 -0.0093 0.00000
618 -0.0014 0.00000
619 -0.0213 0.00000
620 -0.0165 0.00000
621 0.0142 0.00000
622 -0.0741 0.00000
623 0.0093 0.00000
624 0.0301 0.00000
625 -0.0425 0.00000
626 0.0205 0.00000
627 -0.0060 0.00000
628 0.0164 0.00000
629 0.0380 0.00000
630 0.0681 0.00000
631 0.0439 0.00000
632 0.0371 0.00000
633 -0.0279 0.00000
634 -0.0522 0.00000
635 0.0293 0.00000
636 -0.0621 0.00000
637 -0.0166 0.00000
638 -0.0353 0.00000
639 -0.0019 0.00000
640 -0.0157 0.00000
641 -0.0329 0.00000
642 0.0244 0.00000
643 0.0555 0.00000
644 0.0353 0.00000
645 0.0199 0.00000
646 -0.0336 0.00000
647 -0.0103 0.00000
648 -0.0205 0.00000
649 0.0743 0.00000
650 0.0582 0.00000
651 -0.0071 0.00000
652 -0.0155 0.00000
653 -0.0417 0.00000
654 -0.0374 0.00000
655 -0.0914 0.00000
656 0.0004 0.00000
657 -0.0800 0.00000
658 -0.0473 0.00000
659 0.0340 0.00000
660 -0.0283 0.00000
661 -0.0062 0.00000
662 -0.0147 0.00000
663 -0.0463 0.00000
664 0.1042 0.00000
665 -0.0351 0.00000
666 -0.0103 0.00000
667 -0.0461 0.00000
668 -0.0411 0.00000
669 0.0414 0.00000
670 -0.0266 0.00000
671 -0.0311 0.00000
672 -0.0027 0.00000
673 -0.0647 0.00000
674 0.0052 0.00000
675 -0.0328 0.00000
676 0.0370 0.00000
677 -0.0295 0.00000
678 -0.0302 0.00000
679 -0.0698 0.00000
680 -0.0914 0.00000
681 0.0237 0.00000
682 0.0020 0.00000
683 0.0273 0.00000
684 -0.0117 0.00000
685 -0.0476 0.00000
686 -0.0284 0.00000
687 -0.1112 0.00000
688 -0.0166 0.00000
689 0.0095 0.00000
690 0.0096 0.00000
691 -0.0161 0.00000
692 0.0828 0.00000
693 -0.0702 0.00000
694 0.0018 0.00000
695 -0.0479 0.00000
696 0.0527 0.00000
697 0.0442 0.00000
698 -0.0135 0.00000
699 0.0233 0.00000
700 0.0259 0.00000
701 -0.0118 0.00000
702 0.0332 0.00000
703 -0.0068 0.00000
704 -0.0279 0.00000
705 0.0050 0.00000
706 0.0323 0.00000
707 -0.0459 0.00000
708 -0.0393 0.00000
709 -0.0263 0.00000
710 0.0427 0.00000
711 0.0023 0.00000
712 -0.0355 0.00000
713 -0.0769 0.00000
714 -0.0034 0.00000
715 0.0016 0.00000
716 -0.0522 0.00000
717 -0.0098 0.00000
718 -0.0200 0.00000
719 0.0257 0.00000
720 0.0311 0.00000
721 -0.0024 0.00000
722 0.0257 0.00000
723 -0.0426 0.00000
724 -0.0074 0.00000
725 -0.0361 0.00000
726 0.0520 0.00000
727 -0.0148 0.00000
728 -0.0258 0.00000
729 0.0303 0.00000
730 -0.0111 0.00000
731 0.0211 0.00000
732 0.0019 0.00000
733 -0.0558 0.00000
734 -0.0185 0.00000
735 -0.0367 0.00000
736 0.0209 0.00000
737 -0.0709 0.00000
738 -0.0595 0.00000
739 -0.0301 0.00000
740 0.0215 0.00000
741 0.0700 0.00000
742 -0.0380 0.00000
743 0.0818 0.00000
744 0.0135 0.00000
745 -0.0570 0.00000
746 -0.0422 0.00000
747 0.0192 0.00000
748 -0.0376 0.00000
749 -0.0394 0.00000
750 0.0094 0.00000
751 -0.0591 0.00000
752 -0.0265 0.00000
753 -0.0050 0.00000
754 0.0027 0.00000
755 -0.0874 0.00000
756 -0.0075 0.00000
757 0.0844 0.00000
758 -0.0161 0.00000
759 0.0191 0.00000
760 0.0161 0.00000
761 -0.0214 0.00000
762 -0.0322 0.00000
763 -0.0110 0.00000
764 -0.0500 0.00000
765 -0.0172 0.00000
766 -0.0971 0.00000
767 -0.0365 0.00000
768 -0.0133 0.00000
769 -0.0837 0.00000
770 0.1027 0.00000
771 -0.0999 0.00000
772 -0.0176 0.00000
773 -0.0575 0.00000
774 0.0421 0.00000
775 -0.0273 0.00000
776 -0.0074 0.00000
777 0.0097 0.00000
778 -0.0060 0.00000
779 0.0283 0.00000
780 0.0042 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0249 0.00000
4 -0.0631 0.00000
5 -0.1151 0.00000
6 -0.0793 0.00000
7 0.0370 0.00000
8 0.0033 0.00000
9 -0.2156 0.00000
10 -0.0376 0.00000
11 -0.1023 0.00000
12 0.0510 0.00000
13 0.0091 0.00000
14 0.0470 0.00000
15 -0.1536 0.00000
16 2.2769 0.00000
17 0.1949 0.00000
18 0.1537 0.00000
19 0.0984 0.00000
20 0.0369 0.00000
21 -0.0519 0.00000
22 -0.0800 0.00000
23 -0.0364 0.00000
24 0.2380 0.00000
25 0.2032 0.00000
26 -0.1320 0.00000
27 -0.0517 0.00000
28 0.0541 0.00000
29 -0.0740 0.00000
30 -0.1466 0.00000
31 -0.5267 0.00000
32 0.4428 0.00000
33 0.0021 0.00000
34 0.0041 0.00000
35 0.0273 0.00000
36 -0.7660 0.00000
37 0.0577 0.00000
38 0.0308 0.00000
39 -0.3349 0.00000
40 -0.0339 0.00000
41 -0.0122 0.00000
42 -0.0698 0.00000
43 -0.0337 0.00000
44 0.3309 0.00000
45 -0.1187 0.00000
46 -0.0644 0.00000
47 0.1927 0.00000
48 0.5337 0.00000
49 0.0189 0.00000
50 -0.0068 0.00000
51 0.0252 0.00000
52 -0.0441 0.00000
53 -0.0079 0.00000
54 -0.1558 0.00000
55 0.0314 0.00000
56 -0.4502 0.00000
57 -0.0586 0.00000
58 -0.0474 0.00000
59 -0.0912 0.00000
60 -0.1217 0.00000
61 -0.0567 0.00000
62 -0.0530 0.00000
63 -0.0394 0.00000
64 0.0840 0.00000
65 -0.0844 0.00000
66 -0.1672 0.00000
67 -0.1191 0.00000
68 -0.2156 0.00000
69 0.0251 0.00000
70 -0.0584 0.00000
71 0.0812 0.00000
72 -0.0161 0.00000
73 0.0479 0.00000
74 0.0662 0.00000
75 0.0203 0.00000
76 0.1482 0.00000
77 0.2208 0.00000
78 -0.0066 0.00000
79 -0.1130 0.00000
80 0.0161 0.00000
81 -0.1428 0.00000
82 0.0260 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2192 0.00000
89 0.0968 0.00000
90 0.0295 0.00000
91 0.0015 0.00000
92 0.3157 0.00000
93 -0.1451 0.00000
94 -0.2399 0.00000
95 -0.1861 0.00000
96 -0.1776 0.00000
97 -0.0368 0.00000
98 0.0285 0.00000
99 0.1787 0.00000
100 -0.4352 0.00000
101 0.0252 0.00000
102 -0.0207 0.00000
103 -0.0296 0.00000
104 -0.0967 0.00000
105 0.0349 0.00000
106 -0.0322 0.00000
107 -0.1920 0.00000
108 0.1818 0.00000
109 0.3513 0.00000
110 -0.2374 0.00000
111 0.0007 0.00000
112 0.1976 0.00000
113 0.0294 0.00000
114 0.0658 0.00000
115 -0.0412 0.00000
116 -0.1474 0.00000
117 -0.0886 0.00000
118 -0.0893 0.00000
119 -0.0155 0.00000
120 -0.0744 0.00000
121 -0.0650 0.00000
122 -0.0299 0.00000
123 -0.0195 0.00000
124 -0.4662 0.00000
125 0.6586 0.00000
126 -0.0212 0.00000
127 -0.1244 0.00000
128 0.0105 0.00000
129 -0.1066 0.00000
130 0.0096 0.00000
131 0.2013 0.00000
132 -0.1953 0.00000
133 -0.0398 0.00000
134 0.0572 0.00000
135 -0.0081 0.00000
136 -0.1053 0.00000
137 -0.4253 0.00000
138 -0.1267 0.00000
139 -0.0044 0.00000
140 -0.0109 0.00000
141 -0.0008 0.00000
142 -0.1271 0.00000
143 -0.0058 0.00000
144 -0.0263 0.00000
145 -0.0542 0.00000
146 -0.0975 0.00000
147 -0.0267 0.00000
148 0.0102 0.00000
149 -0.1380 0.00000
150 0.0042 0.00000
151 0.0018 0.00000
152 -0.1019 0.00000
153 -0.0597 0.00000
154 0.0271 0.00000
155 0.1004 0.00000
156 -0.0982 0.00000
157 0.0649 0.00000
158 0.0265 0.00000
159 0.5104 0.00000
160 0.2689 0.00000
161 0.1755 0.00000
162 0.2067 0.00000
163 -0.0754 0.00000
164 -0.1210 0.00000
165 -0.0668 0.00000
166 0.0283 0.00000
167 -0.1926 0.00000
168 0.0275 0.00000
169 -0.0217 0.00000
170 0.0804 0.00000
171 0.0535 0.00000
172 -0.0038 0.00000
173 -0.0513 0.00000
174 0.3345 0.00000
175 -0.0240 0.00000
176 -0.0359 0.00000
177 -0.1533 0.00000
178 -0.0425 0.00000
179 0.0302 0.00000
180 -0.0801 0.00000
181 -0.2413 0.00000
182 -0.0268 0.00000
183 0.0177 0.00000
184 -0.0640 0.00000
185 -0.0204 0.00000
186 0.0991 0.00000
187 0.1399 0.00000
188 -0.0025 0.00000
189 -0.0151 0.00000
190 -0.0089 0.00000
191 -0.0086 0.00000
192 0.2159 0.00000
193 -0.0405 0.00000
194 -0.0256 0.00000
195 0.0629 0.00000
196 -0.0135 0.00000
197 -0.0192 0.00000
198 -0.0992 0.00000
199 -0.0335 0.00000
200 -0.0162 0.00000
201 -0.0233 0.00000
202 -0.0471 0.00000
203 -0.0262 0.00000
204 -0.0829 0.00000
205 -0.1028 0.00000
206 -0.0905 0.00000
207 -0.0015 0.00000
208 -0.0125 0.00000
209 0.0974 0.00000
210 0.2510 0.00000
211 -0.0849 0.00000
212 0.0009 0.00000
213 0.0175 0.00000
214 -0.0337 0.00000
215 0.0368 0.00000
216 0.0139 0.00000
217 -0.0151 0.00000
218 -0.1208 0.00000
219 0.0020 0.00000
220 0.0455 0.00000
221 -0.0715 0.00000
222 0.0978 0.00000
223 0.1031 0.00000
224 0.3054 0.00000
225 -0.1263 0.00000
226 0.0213 0.00000
227 0.0862 0.00000
228 0.0171 0.00000
229 -0.0259 0.00000
230 0.0569 0.00000
231 0.1377 0.00000
232 0.0797 0.00000
233 0.0150 0.00000
234 -0.0632 0.00000
235 -0.0615 0.00000
236 -0.0113 0.00000
237 -0.0703 0.00000
238 -0.0065 0.00000
239 0.1182 0.00000
240 0.0603 0.00000
241 -0.0561 0.00000
242 -0.0091 0.00000
243 0.2182 0.00000
244 0.0071 0.00000
245 0.0677 0.00000
246 0.0525 0.00000
247 -0.0346 0.00000
248 -0.0057 0.00000
249 0.0146 0.00000
250 -0.0158 0.00000
251 -0.0076 0.00000
252 -0.7880 0.00000
253 -0.0421 0.00000
254 0.0094 0.00000
255 0.0305 0.00000
256 -0.0254 0.00000
257 0.0099 0.00000
258 0.0171 0.00000
259 -0.0118 0.00000
260 0.0455 0.00000
261 -0.0199 0.00000
262 0.1866 0.00000
263 0.0585 0.00000
264 -0.0334 0.00000
265 0.0049 0.00000
266 0.0311 0.00000
267 -0.0270 0.00000
268 0.0055 0.00000
269 -0.0803 0.00000
270 0.0382 0.00000
271 0.0070 0.00000
272 0.0643 0.00000
273 0.0233 0.00000
274 0.0314 0.00000
275 -0.0794 0.00000
276 -0.0314 0.00000
277 -0.0894 0.00000
278 -0.0521 0.00000
279 0.0311 0.00000
280 -0.0416 0.00000
281 -0.1966 0.00000
282 0.0569 0.00000
283 0.0119 0.00000
284 0.0316 0.00000
285 0.0018 0.00000
286 -0.0101 0.00000
287 0.0516 0.00000
288 0.0152 0.00000
289 -0.0456 0.00000
290 -0.0562 0.00000
291 -0.0094 0.00000
292 0.0029 0.00000
293 -0.1614 0.00000
294 0.0331 0.00000
295 0.2696 0.00000
296 0.0704 0.00000
297 -0.0206 0.00000
298 0.0909 0.00000
299 0.1263 0.00000
300 -0.0057 0.00000
301 0.0347 0.00000
302 0.0450 0.00000
303 -0.0129 0.00000
304 0.0937 0.00000
305 0.0952 0.00000
306 -0.0405 0.00000
307 0.0976 0.00000
308 -0.1260 0.00000
309 -0.0429 0.00000
310 0.0004 0.00000
311 -0.0969 0.00000
312 0.0037 0.00000
313 0.0613 0.00000
314 0.0115 0.00000
315 0.0207 0.00000
316 0.0003 0.00000
317 -0.0836 0.00000
318 0.0151 0.00000
319 -0.0224 0.00000
320 -0.0074 0.00000
321 -0.0512 0.00000
322 -0.0323 0.00000
323 -0.0353 0.00000
324 -0.0404 0.00000
325 -0.0131 0.00000
326 0.0427 0.00000
327 -0.0014 0.00000
328 -0.0706 0.00000
329 0.1054 0.00000
330 0.0243 0.00000
331 0.0554 0.00000
332 -0.0511 0.00000
333 -0.0044 0.00000
334 0.0079 0.00000
335 0.0086 0.00000
336 -0.0296 0.00000
337 -0.1713 0.00000
338 -0.0191 0.00000
339 0.0031 0.00000
340 -0.0067 0.00000
341 0.1608 0.00000
342 0.0148 0.00000
343 -0.0415 0.00000
344 0.1248 0.00000
345 -0.2062 0.00000
346 0.0556 0.00000
347 0.0671 0.00000
348 0.0241 0.00000
349 -0.0501 0.00000
350 0.0579 0.00000
351 -0.0622 0.00000
352 -0.0396 0.00000
353 -0.0909 0.00000
354 -0.0277 0.00000
355 -0.0234 0.00000
356 -0.0443 0.00000
357 -0.0296 0.00000
358 -0.0299 0.00000
359 -0.0956 0.00000
360 -0.0021 0.00000
361 -0.0052 0.00000
362 0.0460 0.00000
363 -0.0562 0.00000
364 -0.0595 0.00000
365 -0.0622 0.00000
366 0.0357 0.00000
367 0.0505 0.00000
368 -0.0461 0.00000
369 0.0692 0.00000
370 -0.0242 0.00000
371 -0.0692 0.00000
372 -0.0131 0.00000
373 0.0250 0.00000
374 0.0037 0.00000
375 -0.0503 0.00000
376 -0.0343 0.00000
377 -0.0351 0.00000
378 -0.2044 0.00000
379 0.0538 0.00000
380 0.1234 0.00000
381 0.0052 0.00000
382 -0.0618 0.00000
383 0.0541 0.00000
384 -0.0502 0.00000
385 0.0373 0.00000
386 -0.0320 0.00000
387 -0.0609 0.00000
388 0.0407 0.00000
389 0.0846 0.00000
390 0.0270 0.00000
391 0.0319 0.00000
392 -0.0275 0.00000
393 -0.0050 0.00000
394 0.1098 0.00000
395 -0.1226 0.00000
396 0.0150 0.00000
397 -0.0893 0.00000
398 -0.0801 0.00000
399 -0.0464 0.00000
400 -0.0024 0.00000
401 -0.0199 0.00000
402 0.0082 0.00000
403 0.0361 0.00000
404 0.0048 0.00000
405 -0.0611 0.00000
406 0.0402 0.00000
407 -0.0103 0.00000
408 -0.0158 0.00000
409 -0.0045 0.00000
410 -0.0940 0.00000
411 -0.0087 0.00000
412 -0.0136 0.00000
413 -0.0615 0.00000
414 0.0212 0.00000
415 -0.0594 0.00000
416 -0.0132 0.00000
417 0.0451 0.00000
418 -0.0342 0.00000
419 -0.0990 0.00000
420 -0.1271 0.00000
421 0.0365 0.00000
422 0.0247 0.00000
423 0.0065 0.00000
424 -0.0305 0.00000
425 0.0480 0.00000
426 0.0978 0.00000
427 0.0453 0.00000
428 -0.1323 0.00000
429 0.0231 0.00000
430 -0.0393 0.00000
431 -0.0304 0.00000
432 0.0440 0.00000
433 0.1779 0.00000
434 0.0547 0.00000
435 0.0462 0.00000
436 -0.0035 0.00000
437 -0.0376 0.00000
438 -0.1625 0.00000
439 0.0269 0.00000
440 0.0053 0.00000
441 0.0637 0.00000
442 0.1083 0.00000
443 0.0721 0.00000
444 -0.0844 0.00000
445 0.0136 0.00000
446 0.0081 0.00000
447 -0.0286 0.00000
448 0.0120 0.00000
449 0.0049 0.00000
450 -0.1985 0.00000
451 -0.0383 0.00000
452 0.0078 0.00000
453 -0.0397 0.00000
454 0.0323 0.00000
455 -0.0935 0.00000
456 -0.0233 0.00000
457 0.2262 0.00000
458 -0.0317 0.00000
459 0.1153 0.00000
460 0.0001 0.00000
461 0.0250 0.00000
462 0.0449 0.00000
463 0.1293 0.00000
464 -0.0318 0.00000
465 0.0273 0.00000
466 -0.0155 0.00000
467 -0.0140 0.00000
468 -0.0604 0.00000
469 0.0982 0.00000
470 -0.0633 0.00000
471 -0.0613 0.00000
472 -0.0230 0.00000
473 -0.1733 0.00000
474 0.0491 0.00000
475 0.0222 0.00000
476 -0.0111 0.00000
477 0.0618 0.00000
478 0.0483 0.00000
479 -0.0020 0.00000
480 0.0657 0.00000
481 -0.3205 0.00000
482 0.0405 0.00000
483 -0.0028 0.00000
484 0.0132 0.00000
485 0.0065 0.00000
486 0.2803 0.00000
487 0.0203 0.00000
488 0.0608 0.00000
489 0.0288 0.00000
490 -0.1968 0.00000
491 0.0421 0.00000
492 -0.0430 0.00000
493 -0.0719 0.00000
494 0.0663 0.00000
495 0.0390 0.00000
496 0.0416 0.00000
497 0.0195 0.00000
498 -0.0016 0.00000
499 0.0431 0.00000
500 -0.0191 0.00000
501 -0.0286 0.00000
502 -0.0060 0.00000
503 -0.0352 0.00000
504 0.0661 0.00000
505 -0.0229 0.00000
506 -0.0658 0.00000
507 0.0310 0.00000
508 -0.0133 0.00000
509 0.1009 0.00000
510 0.0216 0.00000
511 -0.0767 0.00000
512 -0.0166 0.00000
513 -0.0864 0.00000
514 -0.0028 0.00000
515 0.0154 0.00000
516 0.0207 0.00000
517 -0.0588 0.00000
518 -0.0256 0.00000
519 0.0527 0.00000
520 -0.0305 0.00000
521 0.0404 0.00000
522 -0.0606 0.00000
523 -0.0812 0.00000
524 -0.1129 0.00000
525 -0.0158 0.00000
526 0.0153 0.00000
527 -0.0212 0.00000
528 -0.0071 0.00000
529 -0.0586 0.00000
530 0.0116 0.00000
531 0.0014 0.00000
532 -0.0273 0.00000
533 0.0683 0.00000
534 -0.0884 0.00000
535 -0.0508 0.00000
536 -0.0566 0.00000
537 -0.0055 0.00000
538 -0.0057 0.00000
539 -0.0127 0.00000
540 0.0943 0.00000
541 -0.1146 0.00000
542 0.0233 0.00000
543 -0.0145 0.00000
544 -0.0574 0.00000
545 -0.0055 0.00000
546 0.0031 0.00000
547 -0.0294 0.00000
548 -0.0839 0.00000
549 -0.0735 0.00000
550 0.1722 0.00000
551 0.1574 0.00000
552 -0.0514 0.00000
553 0.0947 0.00000
554 -0.0017 0.00000
555 0.0045 0.00000
556 0.0829 0.00000
557 -0.1641 0.00000
558 0.0261 0.00000
559 0.0485 0.00000
560 0.0261 0.00000
561 0.0508 0.00000
562 -0.0035 0.00000
563 0.0149 0.00000
564 0.0227 0.00000
565 0.0160 0.00000
566 0.1123 0.00000
567 -0.1227 0.00000
568 -0.0477 0.00000
569 0.0460 0.00000
570 -0.0585 0.00000
571 0.0404 0.00000
572 0.0596 0.00000
573 0.1159 0.00000
574 0.1712 0.00000
575 -0.0482 0.00000
576 -0.0068 0.00000
577 -0.0827 0.00000
578 -0.3970 0.00000
579 -0.1085 0.00000
580 -0.1531 0.00000
581 -0.0893 0.00000
582 -0.0775 0.00000
583 0.0490 0.00000
584 -0.0801 0.00000
585 -0.0416 0.00000
586 -0.0899 0.00000
587 0.0313 0.00000
588 -0.0434 0.00000
589 0.0368 0.00000
590 -0.0975 0.00000
591 0.0355 0.00000
592 -0.0010 0.00000
593 0.0458 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1116 0.00000
597 0.1036 0.00000
598 0.0700 0.00000
599 0.1159 0.00000
600 -0.0631 0.00000
601 0.0691 0.00000
602 -0.0672 0.00000
603 0.0124 0.00000
604 0.0590 0.00000
605 0.0443 0.00000
606 -0.0765 0.00000
607 0.0525 0.00000
608 -0.0763 0.00000
609 0.1139 0.00000
610 -0.0363 0.00000
611 0.0994 0.00000
612 -0.0317 0.00000
613 -0.0388 0.00000
614 0.0406 0.00000
615 0.0562 0.00000
616 -0.0546 0.00000
617 -0.0164 0.00000
618 -0.0256 0.00000
619 -0.0282 0.00000
620 -0.0309 0.00000
621 0.0036 0.00000
622 -0.0031 0.00000
623 0.0116 0.00000
624 -0.0090 0.00000
625 0.0484 0.00000
626 -0.0705 0.00000
627 0.0204 0.00000
628 -0.0233 0.00000
629 0.0231 0.00000
630 -0.0247 0.00000
631 -0.0008 0.00000
632 0.0386 0.00000
633 0.0317 0.00000
634 0.0055 0.00000
635 0.0536 0.00000
636 -0.0529 0.00000
637 0.0046 0.00000
638 -0.0664 0.00000
639 -0.0020 0.00000
640 0.0807 0.00000
641 -0.0155 0.00000
642 -0.0215 0.00000
643 0.0088 0.00000
644 -0.0003 0.00000
645 -0.0118 0.00000
646 -0.0230 0.00000
647 0.0424 0.00000
648 -0.0344 0.00000
649 -0.0857 0.00000
650 0.0233 0.00000
651 -0.0832 0.00000
652 0.0200 0.00000
653 -0.0039 0.00000
654 -0.0219 0.00000
655 -0.0247 0.00000
656 -0.0370 0.00000
657 0.0964 0.00000
658 -0.0215 0.00000
659 -0.0027 0.00000
660 -0.0330 0.00000
661 0.0496 0.00000
662 0.0143 0.00000
663 -0.0992 0.00000
664 -0.0435 0.00000
665 -0.0317 0.00000
666 0.0872 0.00000
667 -0.0194 0.00000
668 0.0135 0.00000
669 -0.0815 0.00000
670 0.0354 0.00000
671 -0.0041 0.00000
672 -0.0031 0.00000
673 -0.0084 0.00000
674 -0.0573 0.00000
675 -0.0265 0.00000
676 0.0329 0.00000
677 -0.0277 0.00000
678 -0.0104 0.00000
679 -0.0583 0.00000
680 -0.1124 0.00000
681 -0.0388 0.00000
682 0.0067 0.00000
683 -0.0339 0.00000
684 0.0505 0.00000
685 0.0029 0.00000
686 -0.0191 0.00000
687 0.0089 0.00000
688 -0.0108 0.00000
689 0.0107 0.00000
690 -0.0624 0.00000
691 0.0229 0.00000
692 0.0076 0.00000
693 0.0270 0.00000
694 0.0225 0.00000
695 -0.0415 0.00000
696 -0.0076 0.00000
697 0.0230 0.00000
698 -0.0512 0.00000
699 0.0136 0.00000
700 -0.0421 0.00000
701 0.0067 0.00000
702 0.0002 0.00000
703 -0.0089 0.00000
704 -0.0239 0.00000
705 -0.0139 0.00000
706 -0.0453 0.00000
707 -0.0007 0.00000
708 0.0660 0.00000
709 0.0035 0.00000
710 -0.0387 0.00000
711 -0.0529 0.00000
712 0.0000 0.00000
713 0.0148 0.00000
714 -0.0226 0.00000
715 -0.0082 0.00000
716 0.0274 0.00000
717 0.0563 0.00000
718 -0.0468 0.00000
719 0.0474 0.00000
720 0.0654 0.00000
721 -0.0341 0.00000
722 0.0488 0.00000
723 -0.0064 0.00000
724 -0.0172 0.00000
725 -0.0131 0.00000
726 -0.0198 0.00000
727 -0.0065 0.00000
728 -0.0140 0.00000
729 0.0103 0.00000
730 -0.0757 0.00000
731 -0.0764 0.00000
732 -0.0207 0.00000
733 -0.0585 0.00000
734 -0.0717 0.00000
735 0.0067 0.00000
736 -0.0132 0.00000
737 0.0113 0.00000
738 -0.0213 0.00000
739 -0.0181 0.00000
740 -0.0002 0.00000
741 0.0314 0.00000
742 -0.0298 0.00000
743 -0.0226 0.00000
744 0.0204 0.00000
745 0.0716 0.00000
746 -0.0467 0.00000
747 0.0133 0.00000
748 -0.0510 0.00000
749 -0.1102 0.00000
750 0.0122 0.00000
751 -0.0435 0.00000
752 -0.0363 0.00000
753 -0.0046 0.00000
754 0.0022 0.00000
755 -0.0671 0.00000
756 -0.0599 0.00000
757 0.0165 0.00000
758 0.0163 0.00000
759 -0.0031 0.00000
760 -0.0488 0.00000
761 -0.0646 0.00000
762 0.0043 0.00000
763 -0.0117 0.00000
764 -0.0694 0.00000
765 0.0187 0.00000
766 -0.0268 0.00000
767 -0.0165 0.00000
768 0.0270 0.00000
769 0.0126 0.00000
770 -0.0246 0.00000
771 -0.0163 0.00000
772 -0.0434 0.00000
773 -0.0096 0.00000
774 -0.0394 0.00000
775 0.0178 0.00000
776 0.0125 0.00000
777 -0.0142 0.00000
778 -0.0287 0.00000
779 -0.0347 0.00000
780 -0.0038 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0250 0.00000
4 -0.0640 0.00000
5 -0.1140 0.00000
6 -0.0793 0.00000
7 0.0363 0.00000
8 0.0032 0.00000
9 -0.2140 0.00000
10 -0.0398 0.00000
11 -0.1029 0.00000
12 0.0539 0.00000
13 0.0081 0.00000
14 0.0469 0.00000
15 -0.1536 0.00000
16 2.3392 0.00000
17 0.0127 0.00000
18 0.2946 0.00000
19 0.1319 0.00000
20 -0.0182 0.00000
21 -0.0519 0.00000
22 -0.0830 0.00000
23 0.0125 0.00000
24 0.3174 0.00000
25 0.0482 0.00000
26 -0.0732 0.00000
27 -0.1026 0.00000
28 0.0445 0.00000
29 -0.0442 0.00000
30 -0.1490 0.00000
31 -0.5064 0.00000
32 0.4085 0.00000
33 -0.0008 0.00000
34 -0.0236 0.00000
35 0.0281 0.00000
36 -0.7016 0.00000
37 0.0582 0.00000
38 0.0336 0.00000
39 -0.3495 0.00000
40 -0.0339 0.00000
41 -0.0293 0.00000
42 -0.0597 0.00000
43 -0.0344 0.00000
44 0.0016 0.00000
45 0.2595 0.00000
46 -0.0898 0.00000
47 0.1395 0.00000
48 0.6374 0.00000
49 -0.0958 0.00000
50 0.0002 0.00000
51 0.0871 0.00000
52 -0.0648 0.00000
53 -0.0087 0.00000
54 0.0384 0.00000
55 -0.1405 0.00000
56 -0.5140 0.00000
57 -0.0598 0.00000
58 -0.0841 0.00000
59 0.0855 0.00000
60 -0.1890 0.00000
61 -0.1494 0.00000
62 -0.0428 0.00000
63 0.1566 0.00000
64 -0.1232 0.00000
65 -0.0681 0.00000
66 -0.1849 0.00000
67 -0.2055 0.00000
68 -0.0836 0.00000
69 0.0604 0.00000
70 0.0596 0.00000
71 -0.0573 0.00000
72 -0.0160 0.00000
73 0.0455 0.00000
74 0.0603 0.00000
75 0.0151 0.00000
76 0.1596 0.00000
77 0.2200 0.00000
78 -0.1303 0.00000
79 0.0151 0.00000
80 0.0158 0.00000
81 -0.1430 0.00000
82 0.0260 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2191 0.00000
89 0.1064 0.00000
90 0.0087 0.00000
91 0.1451 0.00000
92 0.1803 0.00000
93 -0.1218 0.00000
94 -0.2516 0.00000
95 -0.1559 0.00000
96 -0.2348 0.00000
97 -0.0658 0.00000
98 -0.0897 0.00000
99 0.2420 0.00000
100 -0.2665 0.00000
101 -0.0264 0.00000
102 0.0039 0.00000
103 -0.0461 0.00000
104 -0.1007 0.00000
105 0.0368 0.00000
106 -0.0426 0.00000
107 -0.2921 0.00000
108 0.2257 0.00000
109 0.0769 0.00000
110 0.1481 0.00000
111 0.0073 0.00000
112 0.0878 0.00000
113 0.0304 0.00000
114 0.1698 0.00000
115 -0.0527 0.00000
116 -0.1988 0.00000
117 -0.0747 0.00000
118 -0.1144 0.00000
119 -0.1202 0.00000
120 -0.0086 0.00000
121 -0.0203 0.00000
122 -0.0119 0.00000
123 0.0131 0.00000
124 -0.4540 0.00000
125 0.5881 0.00000
126 0.0179 0.00000
127 -0.1551 0.00000
128 0.0088 0.00000
129 -0.1435 0.00000
130 -0.0103 0.00000
131 0.1369 0.00000
132 -0.0394 0.00000
133 -0.0720 0.00000
134 0.0521 0.00000
135 -0.0082 0.00000
136 -0.0316 0.00000
137 -0.5587 0.00000
138 -0.0753 0.00000
139 0.0008 0.00000
140 -0.0033 0.00000
141 0.0004 0.00000
142 -0.1259 0.00000
143 -0.0075 0.00000
144 -0.0265 0.00000
145 -0.0528 0.00000
146 -0.0972 0.00000
147 -0.0283 0.00000
148 -0.0056 0.00000
149 -0.1131 0.00000
150 -0.0091 0.00000
151 -0.0708 0.00000
152 0.1155 0.00000
153 -0.0756 0.00000
154 -0.1368 0.00000
155 0.1511 0.00000
156 -0.0829 0.00000
157 0.0143 0.00000
158 0.0462 0.00000
159 0.5079 0.00000
160 0.0722 0.00000
161 0.3519 0.00000
162 0.1165 0.00000
163 0.1379 0.00000
164 0.0649 0.00000
165 -0.0754 0.00000
166 -0.0159 0.00000
167 -0.2032 0.00000
168 -0.0270 0.00000
169 0.0210 0.00000
170 -0.0066 0.00000
171 -0.0125 0.00000
172 -0.0234 0.00000
173 0.0987 0.00000
174 -0.0452 0.00000
175 -0.0727 0.00000
176 -0.0143 0.00000
177 -0.1655 0.00000
178 -0.0906 0.00000
179 0.0075 0.00000
180 0.2315 0.00000
181 -0.0478 0.00000
182 -0.0241 0.00000
183 -0.0947 0.00000
184 -0.0646 0.00000
185 -0.0194 0.00000
186 -0.0610 0.00000
187 0.0643 0.00000
188 0.1027 0.00000
189 -0.0286 0.00000
190 0.1278 0.00000
191 -0.0267 0.00000
192 0.0468 0.00000
193 0.1788 0.00000
194 -0.0698 0.00000
195 0.0177 0.00000
196 -0.0079 0.00000
197 -0.0374 0.00000
198 -0.1232 0.00000
199 -0.0526 0.00000
200 0.0184 0.00000
201 -0.0670 0.00000
202 -0.0031 0.00000
203 -0.0681 0.00000
204 -0.0735 0.00000
205 -0.0733 0.00000
206 -0.0304 0.00000
207 -0.0164 0.00000
208 -0.0304 0.00000
209 0.0184 0.00000
210 0.1376 0.00000
211 0.0992 0.00000
212 -0.0151 0.00000
213 0.0351 0.00000
214 -0.1086 0.00000
215 -0.0247 0.00000
216 0.0235 0.00000
217 -0.0990 0.00000
218 0.0713 0.00000
219 0.0705 0.00000
220 0.0524 0.00000
221 -0.0830 0.00000
222 0.0746 0.00000
223 -0.0207 0.00000
224 0.4034 0.00000
225 -0.0930 0.00000
226 -0.0438 0.00000
227 0.0987 0.00000
228 0.0110 0.00000
229 -0.0261 0.00000
230 0.0646 0.00000
231 0.1377 0.00000
232 0.0911 0.00000
233 0.0043 0.00000
234 -0.0578 0.00000
235 -0.0553 0.00000
236 0.0264 0.00000
237 -0.0184 0.00000
238 -0.1957 0.00000
239 0.0852 0.00000
240 0.1069 0.00000
241 0.0361 0.00000
242 0.1195 0.00000
243 -0.0240 0.00000
244 0.1417 0.00000
245 0.0230 0.00000
246 0.0476 0.00000
247 -0.0115 0.00000
248 -0.0180 0.00000
249 0.0061 0.00000
250 -0.0787 0.00000
251 -0.0748 0.00000
252 -0.4960 0.00000
253 -0.0604 0.00000
254 -0.1048 0.00000
255 -0.0139 0.00000
256 -0.0047 0.00000
257 0.0302 0.00000
258 0.0013 0.00000
259 0.0036 0.00000
260 -0.0301 0.00000
261 0.0302 0.00000
262 -0.0061 0.00000
263 0.2853 0.00000
264 0.0428 0.00000
265 -0.0296 0.00000
266 -0.0141 0.00000
267 -0.0167 0.00000
268 -0.0217 0.00000
269 -0.0113 0.00000
270 -0.0826 0.00000
271 0.0131 0.00000
272 0.0606 0.00000
273 0.0149 0.00000
274 -0.0219 0.00000
275 -0.0554 0.00000
276 -0.0021 0.00000
277 0.0216 0.00000
278 -0.0967 0.00000
279 0.0547 0.00000
280 -0.0615 0.00000
281 0.0306 0.00000
282 -0.0367 0.00000
283 -0.0034 0.00000
284 -0.0946 0.00000
285 -0.0937 0.00000
286 -0.0013 0.00000
287 -0.0903 0.00000
288 -0.0748 0.00000
289 0.0374 0.00000
290 0.0492 0.00000
291 0.1127 0.00000
292 -0.0694 0.00000
293 0.1887 0.00000
294 -0.1497 0.00000
295 0.2467 0.00000
296 0.1250 0.00000
297 0.0104 0.00000
298 -0.0750 0.00000
299 0.0627 0.00000
300 0.1384 0.00000
301 -0.0015 0.00000
302 -0.0058 0.00000
303 0.0808 0.00000
304 0.0167 0.00000
305 -0.0434 0.00000
306 0.0983 0.00000
307 -0.0426 0.00000
308 0.0542 0.00000
309 -0.0227 0.00000
310 0.0377 0.00000
311 -0.0709 0.00000
312 -0.0366 0.00000
313 -0.0768 0.00000
314 0.0064 0.00000
315 0.0131 0.00000
316 0.0494 0.00000
317 -0.0127 0.00000
318 -0.0347 0.00000
319 0.0224 0.00000
320 -0.0822 0.00000
321 0.0114 0.00000
322 -0.0719 0.00000
323 0.0256 0.00000
324 -0.1132 0.00000
325 0.0552 0.00000
326 0.0177 0.00000
327 0.0284 0.00000
328 -0.1108 0.00000
329 -0.0023 0.00000
330 0.0406 0.00000
331 -0.0082 0.00000
332 -0.0235 0.00000
333 -0.0099 0.00000
334 -0.0735 0.00000
335 -0.0206 0.00000
336 0.0456 0.00000
337 0.0112 0.00000
338 0.0073 0.00000
339 -0.0465 0.00000
340 0.0292 0.00000
341 0.0676 0.00000
342 0.0431 0.00000
343 0.0135 0.00000
344 0.0001 0.00000
345 0.1746 0.00000
346 0.0227 0.00000
347 -0.1287 0.00000
348 -0.0689 0.00000
349 0.0387 0.00000
350 -0.1256 0.00000
351 0.0300 0.00000
352 -0.0829 0.00000
353 -0.0051 0.00000
354 -0.0651 0.00000
355 -0.0657 0.00000
356 -0.0518 0.00000
357 0.0086 0.00000
358 -0.0456 0.00000
359 -0.0139 0.00000
360 -0.0270 0.00000
361 -0.0642 0.00000
362 -0.0591 0.00000
363 -0.0427 0.00000
364 0.0001 0.00000
365 0.0730 0.00000
366 -0.0070 0.00000
367 -0.0618 0.00000
368 -0.0252 0.00000
369 -0.0579 0.00000
370 -0.0106 0.00000
371 -0.0371 0.00000
372 0.1935 0.00000
373 0.0406 0.00000
374 -0.0242 0.00000
375 -0.0538 0.00000
376 0.0072 0.00000
377 -0.0285 0.00000
378 -0.0872 0.00000
379 0.0060 0.00000
380 -0.0496 0.00000
381 -0.0391 0.00000
382 0.0578 0.00000
383 -0.0225 0.00000
384 -0.0043 0.00000
385 0.1129 0.00000
386 0.1010 0.00000
387 0.1035 0.00000
388 -0.0598 0.00000
389 0.0328 0.00000
390 -0.0771 0.00000
391 0.0184 0.00000
392 -0.0569 0.00000
393 -0.0477 0.00000
394 -0.0504 0.00000
395 0.0238 0.00000
396 -0.0361 0.00000
397 -0.0018 0.00000
398 0.0201 0.00000
399 -0.0008 0.00000
400 -0.0811 0.00000
401 0.0010 0.00000
402 -0.0725 0.00000
403 -0.0305 0.00000
404 -0.0413 0.00000
405 -0.1038 0.00000
406 0.0811 0.00000
407 0.0076 0.00000
408 -0.0293 0.00000
409 0.0423 0.00000
410 -0.1168 0.00000
411 -0.0491 0.00000
412 0.0222 0.00000
413 -0.0883 0.00000
414 -0.0294 0.00000
415 -0.0309 0.00000
416 -0.0349 0.00000
417 0.0024 0.00000
418 0.1133 0.00000
419 0.0458 0.00000
420 -0.0364 0.00000
421 -0.1564 0.00000
422 -0.0292 0.00000
423 -0.0415 0.00000
424 0.0362 0.00000
425 -0.0372 0.00000
426 -0.0296 0.00000
427 -0.0163 0.00000
428 -0.0519 0.00000
429 -0.0924 0.00000
430 0.0099 0.00000
431 0.2297 0.00000
432 0.0615 0.00000
433 0.0902 0.00000
434 -0.0362 0.00000
435 0.0000 0.00000
436 -0.0201 0.00000
437 0.0249 0.00000
438 0.0361 0.00000
439 0.0108 0.00000
440 0.0080 0.00000
441 0.0762 0.00000
442 -0.0949 0.00000
443 -0.0226 0.00000
444 0.0223 0.00000
445 -0.0330 0.00000
446 -0.0651 0.00000
447 -0.0294 0.00000
448 0.1269 0.00000
449 -0.1307 0.00000
450 -0.0111 0.00000
451 0.0495 0.00000
452 0.3011 0.00000
453 -0.0633 0.00000
454 -0.0258 0.00000
455 0.0626 0.00000
456 -0.0370 0.00000
457 0.0205 0.00000
458 0.0567 0.00000
459 -0.0382 0.00000
460 -0.0877 0.00000
461 0.0265 0.00000
462 0.1072 0.00000
463 0.0363 0.00000
464 0.0679 0.00000
465 0.0410 0.00000
466 0.0047 0.00000
467 0.0738 0.00000
468 0.0227 0.00000
469 -0.0166 0.00000
470 0.0354 0.00000
471 -0.0300 0.00000
472 -0.0422 0.00000
473 -0.1958 0.00000
474 0.0165 0.00000
475 -0.0174 0.00000
476 -0.1175 0.00000
477 -0.0375 0.00000
478 -0.0505 0.00000
479 0.1187 0.00000
480 0.0583 0.00000
481 -0.0808 0.00000
482 0.0019 0.00000
483 -0.1379 0.00000
484 0.0603 0.00000
485 -0.0189 0.00000
486 0.0724 0.00000
487 0.0095 0.00000
488 -0.1304 0.00000
489 0.0097 0.00000
490 -0.0243 0.00000
491 0.1115 0.00000
492 0.0424 0.00000
493 0.0956 0.00000
494 0.0098 0.00000
495 0.0180 0.00000
496 -0.0253 0.00000
497 -0.1033 0.00000
498 -0.0289 0.00000
499 -0.0296 0.00000
500 -0.0577 0.00000
501 0.0409 0.00000
502 0.0032 0.00000
503 0.2262 0.00000
504 -0.0223 0.00000
505 -0.0162 0.00000
506 -0.0087 0.00000
507 -0.0018 0.00000
508 0.0187 0.00000
509 -0.0007 0.00000
510 -0.0878 0.00000
511 -0.0473 0.00000
512 0.0560 0.00000
513 0.0012 0.00000
514 -0.0829 0.00000
515 0.0196 0.00000
516 -0.0035 0.00000
517 -0.0822 0.00000
518 -0.0360 0.00000
519 -0.1225 0.00000
520 0.0967 0.00000
521 -0.0065 0.00000
522 0.0961 0.00000
523 -0.0633 0.00000
524 0.0334 0.00000
525 -0.0558 0.00000
526 -0.0028 0.00000
527 -0.0001 0.00000
528 -0.0397 0.00000
529 -0.0504 0.00000
530 0.0003 0.00000
531 -0.0212 0.00000
532 -0.0163 0.00000
533 0.0011 0.00000
534 -0.0297 0.00000
535 0.0663 0.00000
536 -0.0421 0.00000
537 -0.0479 0.00000
538 -0.0163 0.00000
539 -0.0180 0.00000
540 -0.0505 0.00000
541 -0.0007 0.00000
542 -0.1061 0.00000
543 -0.0015 0.00000
544 -0.0515 0.00000
545 -0.0169 0.00000
546 -0.0285 0.00000
547 -0.0263 0.00000
548 -0.0561 0.00000
549 -0.0379 0.00000
550 0.3013 0.00000
551 0.0605 0.00000
552 -0.0243 0.00000
553 0.0655 0.00000
554 -0.0342 0.00000
555 0.0219 0.00000
556 -0.0507 0.00000
557 -0.0598 0.00000
558 -0.0504 0.00000
559 0.1947 0.00000
560 -0.0069 0.00000
561 0.0950 0.00000
562 0.0525 0.00000
563 0.0494 0.00000
564 -0.0382 0.00000
565 -0.0411 0.00000
566 0.1249 0.00000
567 0.0132 0.00000
568 -0.0417 0.00000
569 -0.0792 0.00000
570 0.0688 0.00000
571 -0.0298 0.00000
572 0.0105 0.00000
573 -0.1298 0.00000
574 -0.0172 0.00000
575 -0.0053 0.00000
576 0.1505 0.00000
577 -0.0935 0.00000
578 -0.0161 0.00000
579 -0.3592 0.00000
580 0.0030 0.00000
581 -0.1942 0.00000
582 0.0160 0.00000
583 -0.0522 0.00000
584 -0.0819 0.00000
585 -0.1091 0.00000
586 -0.0128 0.00000
587 0.0444 0.00000
588 -0.0481 0.00000
589 0.0374 0.00000
590 -0.0726 0.00000
591 -0.0007 0.00000
592 0.0088 0.00000
593 0.0425 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1119 0.00000
597 0.1047 0.00000
598 0.0723 0.00000
599 0.1324 0.00000
600 -0.0182 0.00000
601 -0.0694 0.00000
602 -0.0176 0.00000
603 -0.0358 0.00000
604 -0.0438 0.00000
605 0.0112 0.00000
606 0.0096 0.00000
607 0.1302 0.00000
608 0.1265 0.00000
609 0.0059 0.00000
610 0.0008 0.00000
611 0.0114 0.00000
612 -0.0702 0.00000
613 0.0080 0.00000
614 -0.0004 0.00000
615 0.0426 0.00000
616 0.0414 0.00000
617 -0.0261 0.00000
618 -0.0737 0.00000
619 -0.0334 0.00000
620 0.0183 0.00000
621 -0.0241 0.00000
622 0.0572 0.00000
623 0.0557 0.00000
624 -0.0335 0.00000
625 -0.0920 0.00000
626 0.0035 0.00000
627 0.0459 0.00000
628 0.0289 0.00000
629 0.0194 0.00000
630 -0.0251 0.00000
631 -0.0153 0.00000
632 0.0086 0.00000
633 -0.0022 0.00000
634 -0.0880 0.00000
635 0.0119 0.00000
636 -0.0101 0.00000
637 0.0038 0.00000
638 0.0012 0.00000
639 0.0132 0.00000
640 0.0141 0.00000
641 -0.0405 0.00000
642 0.0437 0.00000
643 0.0636 0.00000
644 0.0055 0.00000
645 -0.0003 0.00000
646 -0.0096 0.00000
647 0.0529 0.00000
648 0.0077 0.00000
649 0.0086 0.00000
650 0.0250 0.00000
651 -0.0117 0.00000
652 -0.0189 0.00000
653 -0.1059 0.00000
654 -0.0080 0.00000
655 -0.0167 0.00000
656 -0.0665 0.00000
657 -0.0326 0.00000
658 0.0082 0.00000
659 -0.0239 0.00000
660 -0.0467 0.00000
661 -0.0601 0.00000
662 -0.0470 0.00000
663 0.0102 0.00000
664 -0.0705 0.00000
665 -0.0035 0.00000
666 -0.0233 0.00000
667 0.0283 0.00000
668 -0.0448 0.00000
669 -0.0228 0.00000
670 0.0611 0.00000
671 -0.0084 0.00000
672 -0.0119 0.00000
673 -0.0201 0.00000
674 -0.0092 0.00000
675 -0.0031 0.00000
676 0.0744 0.00000
677 -0.0339 0.00000
678 -0.0118 0.00000
679 -0.0785 0.00000
680 0.0029 0.00000
681 -0.0343 0.00000
682 -0.0526 0.00000
683 -0.0835 0.00000
684 0.0735 0.00000
685 -0.0312 0.00000
686 -0.0251 0.00000
687 0.0313 0.00000
688 -0.0023 0.00000
689 0.0041 0.00000
690 -0.0260 0.00000
691 -0.0417 0.00000
692 -0.0923 0.00000
693 0.0031 0.00000
694 0.0743 0.00000
695 -0.0193 0.00000
696 0.0167 0.00000
697 0.0213 0.00000
698 0.0029 0.00000
699 -0.0126 0.00000
700 -0.0028 0.00000
701 -0.0419 0.00000
702 -0.0389 0.00000
703 0.0020 0.00000
704 -0.0028 0.00000
705 0.0531 0.00000
706 0.0118 0.00000
707 0.0287 0.00000
708 -0.0180 0.00000
709 -0.0235 0.00000
710 0.0345 0.00000
711 0.0032 0.00000
712 0.0263 0.00000
713 -0.0183 0.00000
714 -0.0318 0.00000
715 0.0240 0.00000
716 0.0127 0.00000
717 -0.0110 0.00000
718 0.0153 0.00000
719 -0.0231 0.00000
720 -0.0314 0.00000
721 0.0020 0.00000
722 -0.1108 0.00000
723 0.0063 0.00000
724 0.0561 0.00000
725 -0.0623 0.00000
726 -0.0035 0.00000
727 0.0473 0.00000
728 -0.0231 0.00000
729 -0.0051 0.00000
730 -0.0162 0.00000
731 -0.0196 0.00000
732 -0.0656 0.00000
733 0.0083 0.00000
734 -0.0319 0.00000
735 -0.0604 0.00000
736 -0.0147 0.00000
737 0.0323 0.00000
738 -0.0252 0.00000
739 -0.0069 0.00000
740 -0.0709 0.00000
741 0.0028 0.00000
742 0.0140 0.00000
743 0.0184 0.00000
744 -0.0132 0.00000
745 -0.0039 0.00000
746 -0.0334 0.00000
747 -0.0363 0.00000
748 -0.0003 0.00000
749 -0.0419 0.00000
750 -0.0205 0.00000
751 -0.0472 0.00000
752 0.0332 0.00000
753 -0.0474 0.00000
754 -0.0227 0.00000
755 0.0239 0.00000
756 -0.0350 0.00000
757 0.0261 0.00000
758 -0.0113 0.00000
759 -0.0295 0.00000
760 -0.0092 0.00000
761 -0.0067 0.00000
762 0.0236 0.00000
763 -0.0093 0.00000
764 0.0198 0.00000
765 -0.0610 0.00000
766 -0.0393 0.00000
767 0.0018 0.00000
768 -0.0828 0.00000
769 0.0364 0.00000
770 -0.0088 0.00000
771 -0.0111 0.00000
772 -0.0566 0.00000
773 -0.0193 0.00000
774 -0.0417 0.00000
775 -0.0013 0.00000
776 -0.0928 0.00000
777 -0.0153 0.00000
778 -0.0004 0.00000
779 0.0325 0.00000
780 -0.0288 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0249 0.00000
4 -0.0625 0.00000
5 -0.1160 0.00000
6 -0.0784 0.00000
7 0.0365 0.00000
8 0.0032 0.00000
9 -0.2154 0.00000
10 -0.0401 0.00000
11 -0.1022 0.00000
12 0.0537 0.00000
13 0.0083 0.00000
14 0.0468 0.00000
15 -0.1537 0.00000
16 2.0943 0.00000
17 -0.0217 0.00000
18 0.5285 0.00000
19 0.1553 0.00000
20 -0.0141 0.00000
21 -0.0519 0.00000
22 -0.0650 0.00000
23 0.0019 0.00000
24 0.4122 0.00000
25 0.0011 0.00000
26 -0.0982 0.00000
27 -0.0929 0.00000
28 -0.0594 0.00000
29 -0.0771 0.00000
30 -0.1260 0.00000
31 -0.5063 0.00000
32 0.4686 0.00000
33 -0.0035 0.00000
34 0.0082 0.00000
35 0.0151 0.00000
36 -0.6429 0.00000
37 -0.0454 0.00000
38 0.0613 0.00000
39 -0.2138 0.00000
40 -0.0340 0.00000
41 -0.0191 0.00000
42 -0.1458 0.00000
43 -0.0352 0.00000
44 -0.1348 0.00000
45 0.2008 0.00000
46 0.4054 0.00000
47 -0.1142 0.00000
48 0.3756 0.00000
49 -0.0768 0.00000
50 0.1991 0.00000
51 0.0669 0.00000
52 -0.0188 0.00000
53 -0.0048 0.00000
54 -0.1444 0.00000
55 0.0251 0.00000
56 -0.4840 0.00000
57 -0.0588 0.00000
58 -0.0891 0.00000
59 0.0418 0.00000
60 -0.2321 0.00000
61 -0.0987 0.00000
62 0.0040 0.00000
63 -0.0675 0.00000
64 0.0646 0.00000
65 -0.0675 0.00000
66 -0.1955 0.00000
67 -0.0961 0.00000
68 -0.2098 0.00000
69 0.0255 0.00000
70 -0.0590 0.00000
71 0.0844 0.00000
72 -0.0161 0.00000
73 0.0483 0.00000
74 0.0593 0.00000
75 0.0275 0.00000
76 0.1462 0.00000
77 0.2162 0.00000
78 0.0032 0.00000
79 -0.1179 0.00000
80 0.0158 0.00000
81 -0.1427 0.00000
82 0.0260 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2192 0.00000
89 0.0976 0.00000
90 0.0142 0.00000
91 0.1651 0.00000
92 0.1777 0.00000
93 -0.1395 0.00000
94 -0.2508 0.00000
95 -0.1770 0.00000
96 -0.1948 0.00000
97 -0.0704 0.00000
98 0.0110 0.00000
99 0.1743 0.00000
100 -0.1921 0.00000
101 -0.1561 0.00000
102 -0.0007 0.00000
103 -0.0337 0.00000
104 -0.0991 0.00000
105 0.0704 0.00000
106 -0.0913 0.00000
107 -0.2241 0.00000
108 0.3797 0.00000
109 0.1878 0.00000
110 -0.1175 0.00000
111 -0.1059 0.00000
112 0.1632 0.00000
113 0.0970 0.00000
114 -0.0047 0.00000
115 0.0493 0.00000
116 -0.2257 0.00000
117 -0.0766 0.00000
118 -0.0889 0.00000
119 -0.0504 0.00000
120 -0.0664 0.00000
121 -0.0284 0.00000
122 -0.0164 0.00000
123 -0.0735 0.00000
124 -0.2295 0.00000
125 0.4695 0.00000
126 -0.0167 0.00000
127 -0.1476 0.00000
128 0.0155 0.00000
129 -0.1336 0.00000
130 0.0162 0.00000
131 0.1856 0.00000
132 -0.1632 0.00000
133 -0.0456 0.00000
134 0.0614 0.00000
135 -0.0088 0.00000
136 -0.0345 0.00000
137 -0.5359 0.00000
138 -0.0753 0.00000
139 -0.0199 0.00000
140 0.0014 0.00000
141 0.0001 0.00000
142 -0.1278 0.00000
143 -0.0115 0.00000
144 -0.0209 0.00000
145 -0.0555 0.00000
146 -0.0978 0.00000
147 -0.0268 0.00000
148 0.0073 0.00000
149 -0.1270 0.00000
150 -0.0075 0.00000
151 -0.1335 0.00000
152 0.1530 0.00000
153 -0.1322 0.00000
154 -0.0493 0.00000
155 0.0672 0.00000
156 0.1836 0.00000
157 -0.0755 0.00000
158 0.4013 0.00000
159 -0.0940 0.00000
160 -0.0502 0.00000
161 0.7150 0.00000
162 0.0130 0.00000
163 0.0742 0.00000
164 0.0010 0.00000
165 -0.0988 0.00000
166 -0.0895 0.00000
167 -0.1501 0.00000
168 0.1324 0.00000
169 0.0167 0.00000
170 -0.0147 0.00000
171 -0.0098 0.00000
172 0.0170 0.00000
173 0.0410 0.00000
174 0.1082 0.00000
175 -0.1026 0.00000
176 -0.1119 0.00000
177 -0.0485 0.00000
178 -0.0482 0.00000
179 0.0148 0.00000
180 -0.0366 0.00000
181 -0.0649 0.00000
182 0.1617 0.00000
183 -0.0881 0.00000
184 -0.1237 0.00000
185 -0.0023 0.00000
186 -0.0413 0.00000
187 0.0621 0.00000
188 -0.0276 0.00000
189 0.0419 0.00000
190 0.1442 0.00000
191 -0.0015 0.00000
192 0.1280 0.00000
193 -0.0421 0.00000
194 -0.0683 0.00000
195 0.1468 0.00000
196 -0.0289 0.00000
197 -0.0466 0.00000
198 -0.0739 0.00000
199 -0.0362 0.00000
200 -0.0062 0.00000
201 -0.0016 0.00000
202 -0.1147 0.00000
203 0.0246 0.00000
204 -0.0465 0.00000
205 -0.1294 0.00000
206 -0.0909 0.00000
207 -0.0208 0.00000
208 -0.0329 0.00000
209 0.0993 0.00000
210 0.1580 0.00000
211 0.0250 0.00000
212 0.0149 0.00000
213 0.0064 0.00000
214 -0.1009 0.00000
215 0.0363 0.00000
216 -0.0833 0.00000
217 0.0743 0.00000
218 0.0020 0.00000
219 0.0524 0.00000
220 -0.0760 0.00000
221 -0.0207 0.00000
222 0.0967 0.00000
223 0.0245 0.00000
224 0.3084 0.00000
225 -0.1026 0.00000
226 0.0429 0.00000
227 0.0891 0.00000
228 0.0169 0.00000
229 -0.0318 0.00000
230 0.0572 0.00000
231 0.1369 0.00000
232 0.0607 0.00000
233 0.0346 0.00000
234 -0.0610 0.00000
235 -0.0856 0.00000
236 0.0156 0.00000
237 -0.0579 0.00000
238 -0.0393 0.00000
239 0.1262 0.00000
240 0.0380 0.00000
241 -0.0422 0.00000
242 0.1520 0.00000
243 0.0072 0.00000
244 0.0394 0.00000
245 0.1277 0.00000
246 0.0573 0.00000
247 -0.0392 0.00000
248 -0.0417 0.00000
249 -0.0057 0.00000
250 0.0072 0.00000
251 -0.2836 0.00000
252 -0.2153 0.00000
253 -0.2333 0.00000
254 -0.0546 0.00000
255 -0.0878 0.00000
256 0.0366 0.00000
257 -0.0011 0.00000
258 0.0235 0.00000
259 0.0319 0.00000
260 -0.0239 0.00000
261 0.1992 0.00000
262 0.0848 0.00000
263 -0.0115 0.00000
264 -0.0060 0.00000
265 -0.0497 0.00000
266 0.0335 0.00000
267 -0.0155 0.00000
268 -0.0509 0.00000
269 0.0085 0.00000
270 0.0076 0.00000
271 -0.0047 0.00000
272 0.0900 0.00000
273 -0.0004 0.00000
274 0.0081 0.00000
275 -0.0370 0.00000
276 -0.0062 0.00000
277 -0.0822 0.00000
278 -0.0268 0.00000
279 -0.0605 0.00000
280 0.0002 0.00000
281 -0.0017 0.00000
282 0.0283 0.00000
283 -0.1003 0.00000
284 0.0346 0.00000
285 -0.0016 0.00000
286 -0.2391 0.00000
287 0.0057 0.00000
288 -0.0270 0.00000
289 0.0605 0.00000
290 -0.0272 0.00000
291 0.1066 0.00000
292 -0.0528 0.00000
293 -0.0369 0.00000
294 0.0442 0.00000
295 0.0736 0.00000
296 0.2800 0.00000
297 0.0187 0.00000
298 -0.0195 0.00000
299 0.0748 0.00000
300 0.0372 0.00000
301 0.1159 0.00000
302 -0.0542 0.00000
303 0.0798 0.00000
304 -0.0526 0.00000
305 0.0582 0.00000
306 0.0757 0.00000
307 -0.0522 0.00000
308 -0.1663 0.00000
309 0.2594 0.00000
310 0.0235 0.00000
311 -0.0571 0.00000
312 -0.0957 0.00000
313 -0.0748 0.00000
314 0.0554 0.00000
315 -0.0705 0.00000
316 -0.0252 0.00000
317 0.0423 0.00000
318 -0.0202 0.00000
319 0.0677 0.00000
320 -0.0419 0.00000
321 -0.0034 0.00000
322 -0.0605 0.00000
323 -0.0459 0.00000
324 -0.0542 0.00000
325 0.1133 0.00000
326 -0.0958 0.00000
327 -0.0563 0.00000
328 -0.0401 0.00000
329 0.1120 0.00000
330 -0.0648 0.00000
331 0.0377 0.00000
332 0.0391 0.00000
333 -0.0062 0.00000
334 0.0496 0.00000
335 -0.0412 0.00000
336 0.1055 0.00000
337 0.0260 0.00000
338 -0.1720 0.00000
339 -0.0781 0.00000
340 0.0368 0.00000
341 -0.0368 0.00000
342 -0.0160 0.00000
343 -0.0167 0.00000
344 0.0589 0.00000
345 0.0817 0.00000
346 0.1277 0.00000
347 -0.0521 0.00000
348 0.0055 0.00000
349 -0.0397 0.00000
350 -0.1782 0.00000
351 -0.0310 0.00000
352 -0.0186 0.00000
353 -0.0666 0.00000
354 0.0154 0.00000
355 -0.0054 0.00000
356 -0.0119 0.00000
357 -0.0264 0.00000
358 -0.1066 0.00000
359 -0.0664 0.00000
360 -0.0304 0.00000
361 -0.0058 0.00000
362 -0.0247 0.00000
363 -0.0178 0.00000
364 0.0194 0.00000
365 0.1234 0.00000
366 -0.0669 0.00000
367 -0.0313 0.00000
368 0.0084 0.00000
369 -0.0354 0.00000
370 -0.0518 0.00000
371 0.0371 0.00000
372 -0.0162 0.00000
373 0.0952 0.00000
374 -0.0349 0.00000
375 -0.0249 0.00000
376 -0.0719 0.00000
377 -0.1546 0.00000
378 -0.0538 0.00000
379 0.0317 0.00000
380 0.0362 0.00000
381 -0.0157 0.00000
382 -0.0666 0.00000
383 -0.0528 0.00000
384 0.1690 0.00000
385 -0.0228 0.00000
386 0.0570 0.00000
387 -0.0434 0.00000
388 0.0412 0.00000
389 -0.0357 0.00000
390 -0.0087 0.00000
391 0.0081 0.00000
392 0.0274 0.00000
393 0.0583 0.00000
394 -0.1254 0.00000
395 -0.0041 0.00000
396 0.1024 0.00000
397 0.0372 0.00000
398 0.0033 0.00000
399 -0.0511 0.00000
400 -0.0262 0.00000
401 0.0974 0.00000
402 -0.0055 0.00000
403 -0.1050 0.00000
404 -0.0146 0.00000
405 0.0100 0.00000
406 -0.0659 0.00000
407 -0.0433 0.00000
408 -0.0429 0.00000
409 -0.0319 0.00000
410 -0.0498 0.00000
411 -0.0305 0.00000
412 -0.0774 0.00000
413 0.0296 0.00000
414 -0.1102 0.00000
415 -0.0827 0.00000
416 -0.0428 0.00000
417 -0.0322 0.00000
418 0.0163 0.00000
419 0.0553 0.00000
420 0.0199 0.00000
421 -0.0018 0.00000
422 0.0647 0.00000
423 0.0638 0.00000
424 -0.0007 0.00000
425 -0.0135 0.00000
426 -0.0367 0.00000
427 0.0105 0.00000
428 -0.1438 0.00000
429 -0.0090 0.00000
430 -0.0022 0.00000
431 -0.0449 0.00000
432 -0.0372 0.00000
433 0.0314 0.00000
434 0.0236 0.00000
435 0.0298 0.00000
436 0.0788 0.00000
437 0.0195 0.00000
438 0.0638 0.00000
439 0.0415 0.00000
440 -0.0968 0.00000
441 -0.0451 0.00000
442 -0.0521 0.00000
443 -0.0836 0.00000
444 0.1447 0.00000
445 -0.0746 0.00000
446 -0.0085 0.00000
447 0.0620 0.00000
448 -0.0370 0.00000
449 0.0903 0.00000
450 -0.0387 0.00000
451 0.0838 0.00000
452 -0.0575 0.00000
453 0.0687 0.00000
454 0.0239 0.00000
455 0.2677 0.00000
456 0.0701 0.00000
457 -0.0355 0.00000
458 0.0384 0.00000
459 -0.0492 0.00000
460 0.0334 0.00000
461 0.1051 0.00000
462 -0.0146 0.00000
463 0.0360 0.00000
464 0.0602 0.00000
465 0.0085 0.00000
466 -0.0289 0.00000
467 -0.0830 0.00000
468 -0.1119 0.00000
469 0.0442 0.00000
470 0.0465 0.00000
471 -0.0089 0.00000
472 -0.0823 0.00000
473 0.0019 0.00000
474 -0.2130 0.00000
475 -0.1492 0.00000
476 0.1212 0.00000
477 -0.0156 0.00000
478 -0.1829 0.00000
479 -0.0316 0.00000
480 0.2951 0.00000
481 -0.0619 0.00000
482 0.0552 0.00000
483 -0.0423 0.00000
484 -0.0195 0.00000
485 0.0462 0.00000
486 -0.0513 0.00000
487 -0.0526 0.00000
488 -0.0559 0.00000
489 0.0542 0.00000
490 0.0899 0.00000
491 0.0390 0.00000
492 -0.0041 0.00000
493 -0.0320 0.00000
494 0.0295 0.00000
495 0.0495 0.00000
496 -0.0013 0.00000
497 -0.0168 0.00000
498 -0.1630 0.00000
499 -0.0282 0.00000
500 0.0547 0.00000
501 -0.1185 0.00000
502 0.2183 0.00000
503 -0.0142 0.00000
504 0.0565 0.00000
505 0.0713 0.00000
506 0.0611 0.00000
507 -0.0293 0.00000
508 -0.0541 0.00000
509 -0.0304 0.00000
510 -0.0089 0.00000
511 0.0044 0.00000
512 -0.0343 0.00000
513 -0.0174 0.00000
514 0.0863 0.00000
515 -0.0295 0.00000
516 0.0720 0.00000
517 0.0045 0.00000
518 -0.0551 0.00000
519 -0.0675 0.00000
520 -0.0381 0.00000
521 0.0283 0.00000
522 -0.0014 0.00000
523 -0.0222 0.00000
524 -0.0253 0.00000
525 -0.0129 0.00000
526 0.0488 0.00000
527 -0.0486 0.00000
528 -0.0114 0.00000
529 0.0218 0.00000
530 -0.0906 0.00000
531 0.0073 0.00000
532 -0.0915 0.00000
533 -0.0103 0.00000
534 -0.0652 0.00000
535 -0.0619 0.00000
536 -0.0973 0.00000
537 -0.0472 0.00000
538 -0.1322 0.00000
539 0.0417 0.00000
540 -0.0769 0.00000
541 -0.0094 0.00000
542 -0.0166 0.00000
543 0.0969 0.00000
544 0.0110 0.00000
545 -0.0705 0.00000
546 -0.0379 0.00000
547 0.0335 0.00000
548 -0.0685 0.00000
549 -0.0095 0.00000
550 0.0773 0.00000
551 -0.0207 0.00000
552 0.2010 0.00000
553 0.0142 0.00000
554 0.0201 0.00000
555 0.1103 0.00000
556 -0.0022 0.00000
557 0.0546 0.00000
558 0.0336 0.00000
559 0.0444 0.00000
560 -0.0217 0.00000
561 -0.0716 0.00000
562 0.0905 0.00000
563 -0.0018 0.00000
564 -0.0096 0.00000
565 0.0105 0.00000
566 -0.0154 0.00000
567 0.0186 0.00000
568 0.0492 0.00000
569 -0.0413 0.00000
570 -0.1181 0.00000
571 0.0571 0.00000
572 0.1614 0.00000
573 0.0780 0.00000
574 -0.0088 0.00000
575 -0.0701 0.00000
576 -0.0984 0.00000
577 -0.2805 0.00000
578 -0.0562 0.00000
579 -0.0849 0.00000
580 -0.0806 0.00000
581 -0.2540 0.00000
582 0.0306 0.00000
583 0.0476 0.00000
584 -0.0771 0.00000
585 -0.0870 0.00000
586 -0.0163 0.00000
587 0.0423 0.00000
588 -0.0598 0.00000
589 0.0368 0.00000
590 -0.1039 0.00000
591 0.0359 0.00000
592 0.0007 0.00000
593 0.0463 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1116 0.00000
597 0.1038 0.00000
598 0.0683 0.00000
599 0.1078 0.00000
600 0.0350 0.00000
601 0.0224 0.00000
602 -0.0512 0.00000
603 -0.0567 0.00000
604 -0.0361 0.00000
605 0.0293 0.00000
606 -0.0498 0.00000
607 0.0994 0.00000
608 0.0944 0.00000
609 -0.0589 0.00000
610 0.0753 0.00000
611 -0.0023 0.00000
612 0.0208 0.00000
613 -0.0613 0.00000
614 0.0019 0.00000
615 -0.0478 0.00000
616 0.0346 0.00000
617 0.0112 0.00000
618 -0.0400 0.00000
619 0.0223 0.00000
620 -0.0211 0.00000
621 -0.0421 0.00000
622 -0.0304 0.00000
623 -0.0496 0.00000
624 0.0128 0.00000
625 0.0720 0.00000
626 0.0558 0.00000
627 -0.0010 0.00000
628 0.0531 0.00000
629 0.0007 0.00000
630 0.0279 0.00000
631 -0.0094 0.00000
632 0.0023 0.00000
633 0.0468 0.00000
634 -0.0598 0.00000
635 0.0155 0.00000
636 0.0030 0.00000
637 0.0206 0.00000
638 0.0547 0.00000
639 -0.0292 0.00000
640 -0.0929 0.00000
641 -0.0091 0.00000
642 0.0199 0.00000
643 0.0295 0.00000
644 -0.0488 0.00000
645 -0.0438 0.00000
646 -0.0105 0.00000
647 -0.0082 0.00000
648 0.0140 0.00000
649 0.0383 0.00000
650 0.0074 0.00000
651 0.0276 0.00000
652 -0.0045 0.00000
653 -0.0052 0.00000
654 -0.0870 0.00000
655 0.0018 0.00000
656 -0.0241 0.00000
657 -0.0349 0.00000
658 -0.0382 0.00000
659 -0.0721 0.00000
660 0.0584 0.00000
661 -0.0029 0.00000
662 0.0185 0.00000
663 -0.0280 0.00000
664 -0.0334 0.00000
665 -0.0070 0.00000
666 -0.0115 0.00000
667 0.0216 0.00000
668 -0.1018 0.00000
669 -0.1270 0.00000
670 -0.0044 0.00000
671 0.0030 0.00000
672 0.0019 0.00000
673 0.0576 0.00000
674 0.0143 0.00000
675 -0.0169 0.00000
676 -0.0033 0.00000
677 -0.0675 0.00000
678 -0.0675 0.00000
679 0.0240 0.00000
680 -0.0739 0.00000
681 -0.0376 0.00000
682 -0.0622 0.00000
683 0.0093 0.00000
684 0.0393 0.00000
685 0.0029 0.00000
686 -0.0026 0.00000
687 0.0388 0.00000
688 0.0241 0.00000
689 -0.0359 0.00000
690 -0.0324 0.00000
691 0.0103 0.00000
692 -0.0381 0.00000
693 -0.0379 0.00000
694 0.0121 0.00000
695 -0.0227 0.00000
696 0.0047 0.00000
697 -0.0336 0.00000
698 -0.0657 0.00000
699 0.0879 0.00000
700 -0.0608 0.00000
701 0.0062 0.00000
702 0.0382 0.00000
703 0.0654 0.00000
704 0.0264 0.00000
705 -0.0173 0.00000
706 0.0305 0.00000
707 -0.0542 0.00000
708 -0.0079 0.00000
709 0.0106 0.00000
710 -0.0165 0.00000
711 0.0178 0.00000
712 0.0117 0.00000
713 -0.0278 0.00000
714 -0.0043 0.00000
715 0.0385 0.00000
716 -0.0026 0.00000
717 0.0078 0.00000
718 -0.0270 0.00000
719 -0.0120 0.00000
720 -0.0083 0.00000
721 -0.0502 0.00000
722 -0.0277 0.00000
723 -0.0114 0.00000
724 0.0052 0.00000
725 -0.0536 0.00000
726 0.0349 0.00000
727 -0.0296 0.00000
728 0.0258 0.00000
729 0.0154 0.00000
730 0.0157 0.00000
731 -0.0080 0.00000
732 0.0479 0.00000
733 -0.0353 0.00000
734 0.0342 0.00000
735 -0.0216 0.00000
736 -0.0415 0.00000
737 -0.0671 0.00000
738 0.0126 0.00000
739 -0.0385 0.00000
740 -0.0472 0.00000
741 -0.0344 0.00000
742 -0.0218 0.00000
743 -0.1062 0.00000
744 -0.0003 0.00000
745 -0.0177 0.00000
746 0.0023 0.00000
747 -0.0380 0.00000
748 -0.0557 0.00000
749 -0.0524 0.00000
750 -0.0281 0.00000
751 0.0029 0.00000
752 0.0697 0.00000
753 0.0284 0.00000
754 -0.0170 0.00000
755 0.0530 0.00000
756 -0.0020 0.00000
757 0.0033 0.00000
758 -0.0397 0.00000
759 0.0116 0.00000
760 -0.0191 0.00000
761 0.0302 0.00000
762 0.0054 0.00000
763 -0.0956 0.00000
764 0.0391 0.00000
765 -0.0174 0.00000
766 -0.0882 0.00000
767 -0.0798 0.00000
768 -0.0903 0.00000
769 0.0019 0.00000
770 -0.0667 0.00000
771 -0.0289 0.00000
772 0.0285 0.00000
773 -0.0061 0.00000
774 -0.0270 0.00000
775 0.0249 0.00000
776 -0.0269 0.00000
777 -0.0075 0.00000
778 -0.0197 0.00000
779 -0.0250 0.00000
780 -0.0368 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0580 0.00000
2 0.0522 0.00000
3 -0.0249 0.00000
4 -0.0628 0.00000
5 -0.1155 0.00000
6 -0.0793 0.00000
7 0.0371 0.00000
8 0.0033 0.00000
9 -0.2160 0.00000
10 -0.0391 0.00000
11 -0.1023 0.00000
12 0.0541 0.00000
13 0.0081 0.00000
14 0.0468 0.00000
15 -0.1536 0.00000
16 2.3471 0.00000
17 0.0125 0.00000
18 0.2915 0.00000
19 0.1467 0.00000
20 -0.0394 0.00000
21 -0.0521 0.00000
22 -0.0862 0.00000
23 0.0172 0.00000
24 0.1922 0.00000
25 0.1888 0.00000
26 -0.1035 0.00000
27 -0.0716 0.00000
28 0.0883 0.00000
29 -0.0733 0.00000
30 -0.1630 0.00000
31 -0.5413 0.00000
32 0.4333 0.00000
33 0.0006 0.00000
34 -0.0213 0.00000
35 0.0273 0.00000
36 -0.7200 0.00000
37 0.0547 0.00000
38 0.0315 0.00000
39 -0.3267 0.00000
40 -0.0338 0.00000
41 -0.0266 0.00000
42 -0.0667 0.00000
43 -0.0348 0.00000
44 0.2633 0.00000
45 -0.0482 0.00000
46 -0.0694 0.00000
47 0.1591 0.00000
48 0.6349 0.00000
49 -0.1190 0.00000
50 0.0449 0.00000
51 0.0635 0.00000
52 -0.0698 0.00000
53 -0.0029 0.00000
54 -0.1270 0.00000
55 0.0353 0.00000
56 -0.4968 0.00000
57 -0.0589 0.00000
58 -0.0865 0.00000
59 0.0360 0.00000
60 -0.1828 0.00000
61 -0.1505 0.00000
62 -0.0171 0.00000
63 0.0130 0.00000
64 0.0697 0.00000
65 -0.0671 0.00000
66 -0.1846 0.00000
67 -0.1104 0.00000
68 -0.2168 0.00000
69 0.0253 0.00000
70 -0.0586 0.00000
71 0.0844 0.00000
72 -0.0160 0.00000
73 0.0485 0.00000
74 0.0597 0.00000
75 0.0206 0.00000
76 0.1533 0.00000
77 0.2187 0.00000
78 0.0042 0.00000
79 -0.1221 0.00000
80 0.0160 0.00000
81 -0.1428 0.00000
82 0.0260 0.00000
83 0.0268 0.00000
84 0.2626 0.00000
85 0.0543 0.00000
86 0.1086 0.00000
87 0.1012 0.00000
88 0.2192 0.00000
89 0.0976 0.00000
90 0.0152 0.00000
91 0.1630 0.00000
92 0.1788 0.00000
93 -0.1419 0.00000
94 -0.2471 0.00000
95 -0.1793 0.00000
96 -0.1820 0.00000
97 -0.0749 0.00000
98 -0.0579 0.00000
99 0.2167 0.00000
100 -0.3193 0.00000
101 0.0015 0.00000
102 -0.0047 0.00000
103 -0.0425 0.00000
104 -0.1088 0.00000
105 0.0658 0.00000
106 -0.0812 0.00000
107 -0.1968 0.00000
108 0.3057 0.00000
109 0.1971 0.00000
110 -0.1135 0.00000
111 -0.0342 0.00000
112 0.1044 0.00000
113 0.0772 0.00000
114 0.0610 0.00000
115 -0.0037 0.00000
116 -0.1929 0.00000
117 -0.0613 0.00000
118 -0.1035 0.00000
119 -0.0131 0.00000
120 -0.1157 0.00000
121 -0.0218 0.00000
122 -0.0143 0.00000
123 0.1440 0.00000
124 -0.5104 0.00000
125 0.5147 0.00000
126 0.0204 0.00000
127 -0.1606 0.00000
128 0.0092 0.00000
129 -0.1331 0.00000
130 0.0443 0.00000
131 0.1713 0.00000
132 -0.1860 0.00000
133 -0.0289 0.00000
134 0.0598 0.00000
135 -0.0081 0.00000
136 -0.0328 0.00000
137 -0.5372 0.00000
138 -0.0759 0.00000
139 -0.0219 0.00000
140 0.0002 0.00000
141 -0.0009 0.00000
142 -0.1289 0.00000
143 -0.0060 0.00000
144 -0.0262 0.00000
145 -0.0544 0.00000
146 -0.0973 0.00000
147 -0.0268 0.00000
148 0.0130 0.00000
149 -0.1385 0.00000
150 -0.0052 0.00000
151 -0.0489 0.00000
152 0.0501 0.00000
153 -0.0466 0.00000
154 -0.1267 0.00000
155 0.1173 0.00000
156 -0.0349 0.00000
157 0.1699 0.00000
158 0.1076 0.00000
159 0.1824 0.00000
160 0.2915 0.00000
161 0.3516 0.00000
162 0.0482 0.00000
163 -0.0130 0.00000
164 -0.0241 0.00000
165 0.0746 0.00000
166 -0.1166 0.00000
167 -0.0520 0.00000
168 0.0098 0.00000
169 0.0723 0.00000
170 -0.0544 0.00000
171 -0.1686 0.00000
172 0.0750 0.00000
173 0.0842 0.00000
174 -0.0314 0.00000
175 -0.0330 0.00000
176 -0.0054 0.00000
177 -0.0402 0.00000
178 -0.1645 0.00000
179 -0.0012 0.00000
180 -0.0445 0.00000
181 0.0042 0.00000
182 0.0345 0.00000
183 0.0179 0.00000
184 -0.0682 0.00000
185 0.0641 0.00000
186 -0.0787 0.00000
187 0.0473 0.00000
188 -0.0126 0.00000
189 -0.0011 0.00000
190 0.1228 0.00000
191 -0.0136 0.00000
192 0.0752 0.00000
193 -0.0072 0.00000
194 0.0330 0.00000
195 0.0688 0.00000
196 -0.0117 0.00000
197 -0.0414 0.00000
198 -0.0859 0.00000
199 -0.0350 0.00000
200 -0.0128 0.00000
201 -0.0137 0.00000
202 -0.1125 0.00000
203 -0.0417 0.00000
204 -0.0010 0.00000
205 -0.0705 0.00000
206 -0.0921 0.00000
207 -0.0683 0.00000
208 0.0164 0.00000
209 0.0191 0.00000
210 0.2619 0.00000
211 -0.0267 0.00000
212 -0.0287 0.00000
213 0.0283 0.00000
214 -0.0686 0.00000
215 0.0142 0.00000
216 0.0365 0.00000
217 0.0054 0.00000
218 -0.0904 0.00000
219 0.0690 0.00000
220 -0.0829 0.00000
221 0.0280 0.00000
222 0.1012 0.00000
223 -0.0089 0.00000
224 0.2139 0.00000
225 0.0288 0.00000
226 0.0201 0.00000
227 0.0941 0.00000
228 0.0179 0.00000
229 -0.0274 0.00000
230 0.0570 0.00000
231 0.1371 0.00000
232 0.0717 0.00000
233 0.0215 0.00000
234 -0.0617 0.00000
235 -0.0691 0.00000
236 0.0104 0.00000
237 0.0394 0.00000
238 -0.1627 0.00000
239 0.1324 0.00000
240 0.0314 0.00000
241 -0.0290 0.00000
242 0.1427 0.00000
243 0.0435 0.00000
244 0.0273 0.00000
245 0.1121 0.00000
246 0.0246 0.00000
247 -0.0159 0.00000
248 -0.0192 0.00000
249 0.0052 0.00000
250 -0.0063 0.00000
251 -0.1232 0.00000
252 -0.5851 0.00000
253 0.0047 0.00000
254 -0.0540 0.00000
255 -0.0107 0.00000
256 -0.0288 0.00000
257 0.0251 0.00000
258 -0.0296 0.00000
259 -0.0331 0.00000
260 -0.0046 0.00000
261 0.0474 0.00000
262 0.0413 0.00000
263 0.1598 0.00000
264 -0.0009 0.00000
265 0.0284 0.00000
266 0.0220 0.00000
267 -0.0148 0.00000
268 0.0150 0.00000
269 -0.0662 0.00000
270 -0.0171 0.00000
271 0.0227 0.00000
272 0.0963 0.00000
273 0.0130 0.00000
274 -0.0409 0.00000
275 -0.0612 0.00000
276 0.0233 0.00000
277 -0.0433 0.00000
278 -0.0475 0.00000
279 -0.1074 0.00000
280 -0.0420 0.00000
281 -0.0099 0.00000
282 0.0652 0.00000
283 0.0074 0.00000
284 0.0707 0.00000
285 0.0084 0.00000
286 -0.0969 0.00000
287 -0.1405 0.00000
288 -0.0446 0.00000
289 -0.0053 0.00000
290 -0.1490 0.00000
291 -0.0319 0.00000
292 0.1171 0.00000
293 0.0692 0.00000
294 0.0321 0.00000
295 0.3987 0.00000
296 -0.0110 0.00000
297 0.0392 0.00000
298 -0.1242 0.00000
299 0.0905 0.00000
300 0.0028 0.00000
301 0.0728 0.00000
302 -0.0149 0.00000
303 0.1104 0.00000
304 -0.0022 0.00000
305 0.0186 0.00000
306 -0.0368 0.00000
307 0.2155 0.00000
308 -0.1043 0.00000
309 0.0860 0.00000
310 -0.0610 0.00000
311 -0.0237 0.00000
312 -0.1558 0.00000
313 0.0676 0.00000
314 0.0209 0.00000
315 -0.0033 0.00000
316 0.0358 0.00000
317 -0.0815 0.00000
318 0.0351 0.00000
319 -0.0429 0.00000
320 -0.0539 0.00000
321 -0.0103 0.00000
322 -0.0278 0.00000
323 -0.0925 0.00000
324 -0.0745 0.00000
325 -0.0090 0.00000
326 0.0357 0.00000
327 -0.0076 0.00000
328 -0.1362 0.00000
329 0.1060 0.00000
330 0.0902 0.00000
331 0.1108 0.00000
332 -0.0097 0.00000
333 0.0015 0.00000
334 0.0009 0.00000
335 -0.0520 0.00000
336 0.0162 0.00000
337 -0.0349 0.00000
338 0.0271 0.00000
339 -0.0113 0.00000
340 -0.2101 0.00000
341 -0.0052 0.00000
342 0.2531 0.00000
343 0.0325 0.00000
344 0.0270 0.00000
345 -0.0162 0.00000
346 0.0586 0.00000
347 -0.1098 0.00000
348 0.1050 0.00000
349 -0.0976 0.00000
350 -0.0311 0.00000
351 -0.0609 0.00000
352 -0.1574 0.00000
353 -0.0520 0.00000
354 -0.0140 0.00000
355 -0.0201 0.00000
356 -0.0669 0.00000
357 0.0078 0.00000
358 0.0051 0.00000
359 0.0063 0.00000
360 -0.0342 0.00000
361 -0.0407 0.00000
362 -0.0154 0.00000
363 -0.1014 0.00000
364 -0.0110 0.00000
365 -0.0104 0.00000
366 0.0723 0.00000
367 -0.0559 0.00000
368 -0.0603 0.00000
369 0.0229 0.00000
370 0.0036 0.00000
371 0.0948 0.00000
372 -0.0359 0.00000
373 -0.0509 0.00000
374 -0.0364 0.00000
375 0.0057 0.00000
376 -0.0416 0.00000
377 -0.0164 0.00000
378 -0.0290 0.00000
379 -0.0133 0.00000
380 -0.0479 0.00000
381 -0.0746 0.00000
382 -0.0229 0.00000
383 0.0061 0.00000
384 -0.0125 0.00000
385 0.1268 0.00000
386 0.0163 0.00000
387 0.0794 0.00000
388 0.0776 0.00000
389 -0.0334 0.00000
390 -0.0610 0.00000
391 -0.0340 0.00000
392 0.0278 0.00000
393 0.0283 0.00000
394 -0.0341 0.00000
395 -0.0072 0.00000
396 -0.0358 0.00000
397 0.0381 0.00000
398 -0.0290 0.00000
399 0.0010 0.00000
400 0.0151 0.00000
401 0.0012 0.00000
402 -0.0887 0.00000
403 0.0073 0.00000
404 -0.0245 0.00000
405 0.0187 0.00000
406 -0.0337 0.00000
407 -0.0049 0.00000
408 -0.1022 0.00000
409 0.0250 0.00000
410 -0.0071 0.00000
411 0.0040 0.00000
412 -0.0970 0.00000
413 -0.0369 0.00000
414 -0.0610 0.00000
415 -0.0573 0.00000
416 -0.0823 0.00000
417 -0.0380 0.00000
418 -0.0003 0.00000
419 0.0346 0.00000
420 0.0221 0.00000
421 0.0948 0.00000
422 -0.0954 0.00000
423 0.0469 0.00000
424 0.0036 0.00000
425 -0.0064 0.00000
426 -0.0576 0.00000
427 -0.0428 0.00000
428 0.0438 0.00000
429 -0.0068 0.00000
430 -0.0497 0.00000
431 -0.0974 0.00000
432 0.0145 0.00000
433 0.0586 0.00000
434 0.0568 0.00000
435 0.0187 0.00000
436 0.1200 0.00000
437 -0.0325 0.00000
438 -0.0100 0.00000
439 -0.0610 0.00000
440 0.0563 0.00000
441 0.0022 0.00000
442 0.0486 0.00000
443 0.0365 0.00000
444 -0.0592 0.00000
445 -0.0692 0.00000
446 -0.1252 0.00000
447 0.0568 0.00000
448 0.1033 0.00000
449 -0.0359 0.00000
450 -0.0561 0.00000
451 -0.0062 0.00000
452 0.2544 0.00000
453 -0.0343 0.00000
454 0.0098 0.00000
455 0.0351 0.00000
456 0.0662 0.00000
457 -0.0210 0.00000
458 -0.0196 0.00000
459 0.1144 0.00000
460 -0.0211 0.00000
461 0.1032 0.00000
462 -0.0233 0.00000
463 0.0653 0.00000
464 0.0760 0.00000
465 0.0183 0.00000
466 -0.0159 0.00000
467 -0.0785 0.00000
468 0.0378 0.00000
469 0.0524 0.00000
470 -0.0580 0.00000
471 0.0245 0.00000
472 -0.0687 0.00000
473 0.1459 0.00000
474 0.0302 0.00000
475 -0.3387 0.00000
476 -0.0657 0.00000
477 0.0763 0.00000
478 -0.2118 0.00000
479 -0.0430 0.00000
480 -0.1020 0.00000
481 0.0539 0.00000
482 -0.1125 0.00000
483 -0.0274 0.00000
484 0.2629 0.00000
485 0.0189 0.00000
486 -0.0763 0.00000
487 0.0122 0.00000
488 -0.0297 0.00000
489 0.1504 0.00000
490 0.0745 0.00000
491 -0.0270 0.00000
492 -0.0289 0.00000
493 -0.0508 0.00000
494 -0.0128 0.00000
495 0.0909 0.00000
496 -0.0015 0.00000
497 -0.0595 0.00000
498 0.0336 0.00000
499 0.1513 0.00000
500 -0.1176 0.00000
501 0.0658 0.00000
502 -0.0212 0.00000
503 -0.0031 0.00000
504 -0.0088 0.00000
505 0.0200 0.00000
506 0.0406 0.00000
507 0.0408 0.00000
508 0.0288 0.00000
509 0.0114 0.00000
510 -0.0055 0.00000
511 -0.1726 0.00000
512 -0.0019 0.00000
513 0.0213 0.00000
514 -0.0497 0.00000
515 -0.0195 0.00000
516 -0.0238 0.00000
517 -0.1282 0.00000
518 0.1095 0.00000
519 -0.0414 0.00000
520 0.0214 0.00000
521 -0.0401 0.00000
522 -0.0144 0.00000
523 0.0066 0.00000
524 0.0282 0.00000
525 -0.0001 0.00000
526 0.0051 0.00000
527 0.0150 0.00000
528 -0.0502 0.00000
529 -0.0399 0.00000
530 -0.0499 0.00000
531 -0.0371 0.00000
532 0.0665 0.00000
533 0.0043 0.00000
534 -0.0337 0.00000
535 -0.0187 0.00000
536 -0.0272 0.00000
537 -0.0616 0.00000
538 -0.2667 0.00000
539 -0.0402 0.00000
540 0.0141 0.00000
541 -0.0132 0.00000
542 0.0507 0.00000
543 -0.0115 0.00000
544 -0.0404 0.00000
545 -0.0249 0.00000
546 -0.0216 0.00000
547 -0.0498 0.00000
548 0.0085 0.00000
549 -0.0410 0.00000
550 0.0028 0.00000
551 0.1309 0.00000
552 0.2009 0.00000
553 0.0036 0.00000
554 0.0206 0.00000
555 0.0619 0.00000
556 -0.0101 0.00000
557 -0.0160 0.00000
558 -0.0673 0.00000
559 0.1853 0.00000
560 -0.0464 0.00000
561 0.0073 0.00000
562 0.0462 0.00000
563 -0.0497 0.00000
564 0.0788 0.00000
565 -0.0225 0.00000
566 -0.0145 0.00000
567 0.0108 0.00000
568 -0.0800 0.00000
569 0.0707 0.00000
570 -0.0216 0.00000
571 0.1089 0.00000
572 0.0665 0.00000
573 0.0604 0.00000
574 -0.0259 0.00000
575 0.0433 0.00000
576 -0.0882 0.00000
577 -0.0884 0.00000
578 -0.3678 0.00000
579 -0.0957 0.00000
580 -0.0804 0.00000
581 -0.1715 0.00000
582 -0.0078 0.00000
583 0.0552 0.00000
584 -0.0870 0.00000
585 0.0056 0.00000
586 -0.1134 0.00000
587 0.0398 0.00000
588 -0.0582 0.00000
589 0.0368 0.00000
590 -0.0996 0.00000
591 0.0355 0.00000
592 0.0005 0.00000
593 0.0453 0.00000
594 0.0982 0.00000
595 0.1031 0.00000
596 0.1117 0.00000
597 0.1038 0.00000
598 0.0700 0.00000
599 0.1073 0.00000
600 0.0937 0.00000
601 -0.0665 0.00000
602 -0.0923 0.00000
603 0.0495 0.00000
604 -0.0731 0.00000
605 -0.0278 0.00000
606 0.0207 0.00000
607 0.1210 0.00000
608 0.0130 0.00000
609 -0.0061 0.00000
610 0.1172 0.00000
611 -0.0181 0.00000
612 0.0489 0.00000
613 -0.0437 0.00000
614 -0.0233 0.00000
615 0.0095 0.00000
616 -0.0093 0.00000
617 -0.0977 0.00000
618 -0.0470 0.00000
619 -0.0073 0.00000
620 0.0062 0.00000
621 -0.0314 0.00000
622 0.0615 0.00000
623 0.0365 0.00000
624 0.0061 0.00000
625 -0.0388 0.00000
626 0.0480 0.00000
627 0.0278 0.00000
628 -0.0238 0.00000
629 0.0449 0.00000
630 -0.0009 0.00000
631 0.0134 0.00000
632 -0.0083 0.00000
633 0.0467 0.00000
634 0.0199 0.00000
635 -0.0425 0.00000
636 0.0208 0.00000
637 0.0218 0.00000
638 -0.0739 0.00000
639 -0.0392 0.00000
640 0.0234 0.00000
641 0.0140 0.00000
642 0.0067 0.00000
643 -0.0031 0.00000
644 -0.1398 0.00000
645 0.0410 0.00000
646 0.0105 0.00000
647 -0.0488 0.00000
648 0.0345 0.00000
649 -0.0431 0.00000
650 0.0215 0.00000
651 0.0133 0.00000
652 -0.0327 0.00000
653 -0.0894 0.00000
654 0.0145 0.00000
655 0.0239 0.00000
656 0.0152 0.00000
657 -0.0205 0.00000
658 0.0243 0.00000
659 -0.0037 0.00000
660 -0.0197 0.00000
661 0.0415 0.00000
662 -0.0832 0.00000
663 0.0447 0.00000
664 -0.0002 0.00000
665 -0.0488 0.00000
666 0.0035 0.00000
667 -0.0973 0.00000
668 -0.0408 0.00000
669 -0.0830 0.00000
670 -0.0645 0.00000
671 -0.0123 0.00000
672 0.0095 0.00000
673 0.0428 0.00000
674 -0.0110 0.00000
675 0.0088 0.00000
676 -0.0164 0.00000
677 0.0177 0.00000
678 -0.0803 0.00000
679 0.0070 0.00000
680 -0.0789 0.00000
681 0.0083 0.00000
682 -0.0373 0.00000
683 0.0377 0.00000
684 -0.0338 0.00000
685 -0.0342 0.00000
686 0.0044 0.00000
687 -0.0278 0.00000
688 -0.0614 0.00000
689 0.0283 0.00000
690 -0.0741 0.00000
691 0.0088 0.00000
692 0.0969 0.00000
693 0.0074 0.00000
694 -0.0020 0.00000
695 0.0061 0.00000
696 0.0517 0.00000
697 0.0208 0.00000
698 0.0167 0.00000
699 0.0134 0.00000
700 -0.0500 0.00000
701 -0.0381 0.00000
702 0.0190 0.00000
703 -0.0034 0.00000
704 -0.0015 0.00000
705 -0.0205 0.00000
706 -0.0377 0.00000
707 0.0179 0.00000
708 -0.0161 0.00000
709 0.0077 0.00000
710 0.0108 0.00000
711 -0.0239 0.00000
712 0.0308 0.00000
713 -0.0363 0.00000
714 0.0328 0.00000
715 -0.0254 0.00000
716 0.0355 0.00000
717 0.0179 0.00000
718 0.0368 0.00000
719 -0.0187 0.00000
720 0.0382 0.00000
721 0.0118 0.00000
722 -0.0252 0.00000
723 -0.0404 0.00000
724 0.0147 0.00000
725 0.0157 0.00000
726 -0.0514 0.00000
727 0.0176 0.00000
728 -0.0404 0.00000
729 -0.0479 0.00000
730 -0.0136 0.00000
731 -0.0238 0.00000
732 -0.0576 0.00000
733 0.0101 0.00000
734 -0.0381 0.00000
735 -0.0027 0.00000
736 -0.0652 0.00000
737 -0.0377 0.00000
738 -0.0112 0.00000
739 -0.0510 0.00000
740 -0.0816 0.00000
741 0.0282 0.00000
742 -0.0015 0.00000
743 -0.0252 0.00000
744 0.0294 0.00000
745 0.0018 0.00000
746 -0.0144 0.00000
747 -0.0219 0.00000
748 -0.0046 0.00000
749 -0.0298 0.00000
750 -0.0637 0.00000
751 0.0425 0.00000
752 0.0282 0.00000
753 0.0092 0.00000
754 -0.0107 0.00000
755 -0.0235 0.00000
756 -0.0377 0.00000
757 -0.0307 0.00000
758 0.0539 0.00000
759 -0.0829 0.00000
760 0.0035 0.00000
761 -0.0349 0.00000
762 -0.0231 0.00000
763 0.0088 0.00000
764 -0.1054 0.00000
765 -0.0958 0.00000
766 0.0278 0.00000
767 -0.0385 0.00000
768 0.0533 0.00000
769 -0.0194 0.00000
770 -0.0328 0.00000
771 -0.0201 0.00000
772 -0.0263 0.00000
773 -0.0730 0.00000
774 0.0305 0.00000
775 -0.0596 0.00000
776 0.0128 0.00000
777 -0.0259 0.00000
778 -0.0395 0.00000
779 -0.0271 0.00000
780 -0.0170 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 6 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
2.64806 -3.77684 -2.48418
-3.77654-14.68277-21.60063
-2.48346-21.60068 7.85517
POSITION FORCE-CONSTANT FOR ION 6 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.425409 -0.478871 0.206364
4.30302 2.15352 7.05746 0.064593 -0.121651 0.004107
1.30883 4.06731 2.03161 -0.002902 0.133248 0.197147
3.96992 4.32885 4.13194 0.052555 -0.028887 0.079406
1.29275 3.05683 8.10201 0.011139 -0.146968 -0.196597
3.79636 1.47547 14.70421 -0.533376 -37.558594 -1.676472
1.24643 4.63551 10.86193 -0.783817 0.057575 -0.599797
3.89005 4.20092 12.88287 0.107254 3.753665 -1.985614
1.04482 6.69020 17.44020 -0.189904 0.077628 0.109869
3.77370 7.04599 6.61024 0.007512 0.076712 -0.053510
0.71312 9.21049 2.53845 -0.003192 0.097258 0.060379
3.86880 9.70388 4.59023 0.010573 0.117379 0.011911
1.19399 7.29663 8.75952 -0.019468 0.259113 -0.127513
4.14925 6.52609 15.71477 0.288821 0.528868 0.537674
1.16791 10.19708 10.50563 0.078203 0.251073 0.022915
3.90202 11.30466 11.97145 0.002638 0.337238 0.226304
1.41963 13.48240 16.88000 0.305415 0.053144 -0.291945
3.89470 12.50036 6.39588 -0.027046 0.086104 0.098274
1.24092 15.65995 2.03746 -0.021595 -0.248520 -0.112260
3.45676 13.88732 3.60018 0.055376 0.000013 0.003580
1.37686 12.90671 8.69683 0.080993 0.174372 0.176404
4.20896 12.98001 14.89140 0.217025 0.815153 -0.316752
1.28271 15.54574 11.35729 0.951919 0.139933 0.697183
4.02704 16.14416 13.12883 -0.688700 4.366285 3.228067
8.51844 2.13686 0.32759 0.030907 -0.130131 -0.009366
10.42520 1.68659 6.72748 -0.019760 -0.048757 0.017588
6.89192 4.41938 2.41726 0.040626 -0.042761 0.052241
10.22536 4.35381 4.16682 0.020870 -0.014479 0.021460
7.19238 2.15284 8.75827 0.031225 -0.408509 -0.084992
10.67141 2.29852 15.08728 0.013956 -0.165747 -0.045162
7.24075 4.59797 11.01224 0.544486 -0.132364 -0.561945
10.30176 4.56419 12.61212 0.200397 -0.042611 0.106219
6.40057 6.85176 0.36515 0.182213 0.164702 0.218654
9.75325 6.62606 6.90745 0.033978 0.010611 -0.011110
6.24007 9.67823 1.67645 0.035304 0.217687 -0.017869
6.65558 7.06042 8.79421 -0.024790 0.220040 -0.121890
11.80692 6.94639 14.05727 0.013148 0.087274 0.011504
6.39955 9.97659 10.34026 -0.055165 0.210851 0.056372
11.03265 10.16848 13.84914 -0.014514 0.114448 0.009668
6.77345 12.10505 16.99256 -0.209182 0.205050 -0.240469
10.32223 13.09442 6.99099 -0.036623 0.022805 0.040911
10.59365 15.96480 4.77521 -0.015511 -0.027030 0.005025
6.94250 12.79247 7.88185 -0.022467 0.064523 0.036214
10.18654 12.31147 16.08279 -0.086116 0.083610 0.000292
7.13888 17.01345 11.20310 -0.681545 -0.157833 0.147001
10.37682 0.23169 12.64835 -0.124087 -0.039452 -0.067547
13.24904 1.54346 17.14370 -0.041505 -0.049477 0.006791
15.89410 1.64185 6.44545 -0.016940 -0.056369 0.020143
12.98857 4.28042 2.14546 -0.017003 -0.021946 0.002059
15.96785 4.32998 4.48967 -0.055419 -0.004803 0.056545
13.27097 1.52537 8.57426 -0.021266 -0.108660 0.015706
16.03461 1.53130 15.21659 -0.119407 -0.186071 -0.072032
13.37701 3.97590 10.80799 -0.010147 -0.026969 -0.062092
16.23421 4.17555 13.11475 -0.279305 -0.047091 0.114404
13.12188 6.75851 16.83328 -0.021079 0.016917 0.018751
16.15350 6.82329 6.57280 -0.045555 0.040862 -0.035083
13.80451 11.28726 3.11364 -0.016026 0.047578 -0.020279
16.01530 9.31599 4.57229 -0.013912 0.076807 -0.004017
16.24774 6.95131 14.97400 -0.098809 0.132911 -0.035455
13.37358 11.10317 11.33384 -0.003092 0.078734 0.001837
16.26481 10.28310 12.82929 0.012525 0.154180 -0.016729
13.02958 12.87265 0.34345 -0.010416 0.008465 -0.060664
15.63587 13.81058 6.90598 0.046202 0.001854 0.073447
13.11026 15.86276 1.91698 -0.010465 -0.029401 0.004492
16.04847 15.98249 4.25314 -0.005960 -0.052742 0.031883
12.92950 13.50280 9.01948 -0.000662 0.043613 0.000186
16.03470 13.24150 15.21399 0.103382 0.106414 0.013223
13.00717 16.52927 10.76204 -0.012350 -0.060508 0.065096
15.92967 15.85673 13.13419 0.321628 -0.102757 -0.152505
1.86054 17.36365 1.29865 0.168189 0.193479 -0.109276
4.17830 2.73136 5.21241 -0.012932 0.037506 -0.027717
3.26426 5.75851 5.24301 -0.007018 -0.000497 -0.009774
17.49829 1.67854 7.58538 0.006369 0.033814 0.013943
1.16532 17.05709 10.27678 -0.099650 0.013409 -0.105269
3.43296 5.28736 14.40974 0.014874 -0.593909 -0.161610
5.78979 4.58179 12.35127 -0.334679 -0.325470 0.256894
2.66622 1.96025 16.18884 -0.296290 3.002067 0.069024
17.32027 0.89679 16.51550 0.221149 0.054888 -0.064573
0.46199 8.18893 0.93413 0.024318 -0.027597 -0.034568
5.39231 10.11127 3.40660 -0.002336 -0.020788 0.001661
2.32066 9.80687 3.44943 -0.002912 -0.018185 -0.009405
4.91964 7.92130 14.71679 -0.050644 -0.124739 -0.071512
2.68710 7.23238 16.69438 -0.001891 -0.083367 -0.115269
0.01020 10.88204 2.02154 0.006626 -0.016383 -0.007895
4.21835 0.28129 6.98759 -0.004828 0.020723 0.012981
17.23783 13.81793 8.03064 -0.052465 -0.002585 -0.038152
4.79582 14.66186 14.12172 0.139037 -0.618277 -0.090618
1.82404 14.00413 10.26937 -0.054159 -0.108927 -0.203354
5.26768 16.92854 11.79676 0.575855 -0.274759 -0.602540
10.96027 2.96124 5.34122 -0.001619 0.018664 -0.011623
6.97457 3.04582 1.08259 -0.019637 0.023741 0.019101
10.16898 6.05361 5.08582 -0.006109 0.005027 -0.004814
8.34039 4.05066 3.68939 -0.014465 0.008820 -0.009305
8.74489 2.42632 7.55292 -0.001311 0.059957 0.011081
7.18775 0.35634 9.46384 0.161003 0.100266 -0.106769
11.47395 4.04892 11.19556 -0.041358 0.005712 0.002514
9.15080 2.77757 16.12393 0.004996 0.042763 0.005995
7.98734 0.36277 0.04247 -0.010325 0.048914 -0.006478
8.09306 7.37877 7.53063 -0.001067 -0.010335 0.015970
5.20414 6.37683 7.73407 0.009704 -0.012442 0.011957
12.25313 11.32613 12.87115 -0.000236 -0.015203 -0.001374
7.88582 9.71337 11.41294 0.003611 -0.003130 -0.005341
7.90588 7.26091 16.85699 -0.019212 -0.012864 -0.018728
11.07224 14.64349 6.08452 0.005483 0.007479 -0.004713
9.97410 0.03402 5.82220 0.001152 0.021824 0.006265
11.77786 16.49122 3.26041 0.003789 0.012402 -0.004324
6.65717 11.67689 9.40508 0.001897 -0.028643 0.005703
7.76961 15.24886 11.07941 0.130173 0.003299 -0.044503
8.52712 0.41686 12.29829 0.099287 0.017191 -0.012568
13.11181 17.12784 0.26607 0.006359 0.022077 -0.004549
13.20693 2.50512 1.34897 0.002572 0.024294 0.004903
17.29335 3.71694 3.19979 0.039933 -0.013997 -0.050648
14.20035 4.69758 3.69278 0.009667 0.012676 -0.004596
14.59997 3.56179 12.23787 0.029545 0.009024 -0.000034
13.57708 5.48481 0.72232 0.006872 0.007749 -0.004417
12.29749 8.18631 0.22048 0.006231 0.000293 -0.006694
16.86596 10.59176 5.62457 -0.003137 -0.006698 -0.003500
16.66958 8.43890 13.63905 0.008066 -0.045627 0.016048
16.67265 11.67449 14.15979 0.001997 -0.038303 -0.014582
14.70756 7.45696 15.98014 0.007905 -0.007553 -0.001582
16.06899 0.34084 4.92526 0.000306 0.021781 0.005574
14.63768 15.41566 3.05858 0.003882 0.011082 -0.001587
12.21694 15.07373 9.87203 0.004241 0.005290 -0.009365
15.65466 0.14914 13.86557 -0.031744 0.050298 0.047540
14.35754 15.71932 11.91759 -0.027589 0.030277 0.008521
14.30081 12.83268 16.21967 -0.002201 0.000654 0.004873
8.77223 10.39607 2.47225 0.010027 0.025177 -0.000614
12.91187 8.54216 10.48161 0.000084 0.037462 -0.002967
8.49467 15.82840 2.99445 -0.006431 -0.002279 -0.009886
1.32045 2.68577 1.08043 0.147363 -0.238018 -0.312329
5.44581 4.42337 3.31859 -0.015986 0.017695 -0.009707
2.71895 4.15019 2.95898 -0.056446 -0.005550 -0.073604
2.89361 2.63574 7.84048 -0.050729 0.059171 0.033624
3.72928 2.61904 13.46082 -0.758920 7.964821 -6.133930
1.12195 3.42722 9.72736 0.086100 0.131574 0.248151
2.69176 4.49808 11.70258 0.675015 -0.508600 0.733843
1.13271 5.33613 0.95032 0.023892 -0.026689 -0.038897
4.03043 8.42197 5.67301 -0.003716 -0.071159 0.041997
3.75157 11.03623 5.64253 -0.002292 -0.079198 -0.044589
2.52170 7.25791 7.75547 -0.016770 -0.021155 0.025586
17.39856 7.13193 7.68295 0.038628 -0.012760 0.041780
1.18188 6.06412 9.94036 0.082433 -0.200176 0.209719
1.18202 8.73358 9.65531 -0.000664 -0.137450 -0.055941
3.91098 11.84592 13.59643 -0.068262 -0.303250 -0.222398
5.12928 10.31683 11.41789 0.080449 -0.102879 -0.058529
2.50977 10.51875 11.46580 -0.090464 -0.095842 -0.054063
17.45087 6.59897 16.12377 0.076117 -0.037381 0.023532
3.55980 13.67281 5.25157 -0.007183 -0.005544 -0.015679
1.28803 14.62748 0.64715 -0.037873 0.121596 0.160484
4.98905 14.24610 3.11864 -0.019920 -0.005402 0.005788
2.40264 15.06164 3.08512 -0.044757 0.078519 -0.039532
2.72172 12.72875 7.62075 0.048820 -0.038476 -0.075196
1.06333 11.39589 9.35618 -0.030673 -0.136533 0.026717
3.61212 17.43666 14.11103 2.341656 16.462880 5.709743
2.61877 15.69429 12.36150 -0.949000 -0.798437 -1.075072
2.80206 13.36593 15.83914 -0.252121 -0.099922 0.220188
17.47316 13.58140 16.05649 -0.103168 -0.032122 -0.018033
9.77890 2.08644 1.42003 -0.006656 0.032345 -0.000594
11.39452 4.37239 2.86549 0.008847 0.015243 -0.008031
5.75314 2.47184 7.89843 -0.033495 0.069811 -0.013139
10.58974 3.42804 13.84178 -0.021214 0.077473 -0.051642
7.29963 3.26088 10.01774 -0.073462 0.270942 0.257636
10.61644 6.04073 13.30213 -0.028930 -0.024143 -0.020805
8.72282 4.57356 11.93667 -0.313400 0.034429 -0.054630
6.87268 5.85394 1.60201 -0.032839 0.031008 -0.050162
10.69996 7.99849 7.09252 -0.008828 -0.013450 0.000608
5.73707 8.23825 1.01832 -0.009272 -0.125412 -0.061169
10.63831 11.82289 5.95914 0.012177 -0.014595 -0.016695
12.27791 10.92294 3.59234 0.003050 -0.008565 0.000707
7.82470 9.40720 2.06031 -0.010556 -0.031866 -0.000656
7.06519 5.95381 10.03323 -0.036353 -0.175330 0.241280
11.49637 8.56646 14.11248 0.018189 -0.083560 0.006320
6.22218 8.54831 9.46647 0.004336 -0.130135 -0.040428
10.64255 10.88430 15.28736 0.016136 -0.053306 -0.027312
5.27533 6.08183 16.89617 -0.192084 -0.103786 -0.212405
6.19392 10.87447 0.49133 -0.015978 -0.124082 0.108270
6.63594 13.50144 0.40946 0.013972 -0.018709 0.027765
9.20318 15.33527 4.12194 0.017858 0.014087 0.009820
8.65369 12.87516 7.41323 0.039166 -0.006540 -0.013791
5.50203 12.61795 6.94111 -0.012057 -0.018914 -0.012122
10.10713 13.64215 15.27789 0.014193 -0.019914 0.007667
10.67911 0.87544 14.08625 0.034749 0.092181 0.106186
11.60356 17.20368 11.75834 0.039052 0.010017 -0.013623
8.39118 11.91622 16.60701 0.068291 -0.024134 0.003794
5.50451 12.34914 15.80657 0.224340 -0.229934 0.253061
15.73327 3.04046 5.55542 0.011300 0.060159 -0.041363
16.46394 5.60663 5.46979 0.010825 -0.005448 -0.011049
14.52808 1.45286 7.47168 0.015451 0.025823 -0.013268
11.79275 1.56088 7.78873 0.004213 0.026176 -0.002802
13.32704 0.21681 9.64565 0.004495 0.070771 -0.046670
16.41790 2.90736 14.26355 0.084329 0.107679 -0.039338
13.45171 2.82808 9.57211 0.000817 0.064415 0.044007
16.10069 5.57752 13.99343 0.033260 -0.046548 -0.029836
0.00005 4.40711 11.99025 0.267952 0.026957 -0.063646
14.62884 1.73967 16.17160 0.053779 0.026394 -0.007061
11.98368 2.03831 16.06725 0.003683 0.034448 0.004939
15.63239 8.11986 5.68103 0.008478 -0.038321 0.021542
17.11138 8.55854 3.60414 0.007232 -0.027785 -0.010310
14.79559 9.98222 3.60061 0.016625 -0.028208 0.010075
14.83832 6.40254 7.47085 0.011964 -0.000228 0.004279
10.26118 5.42988 7.96507 0.001811 0.009291 -0.002360
13.84142 5.42996 10.14226 -0.003012 0.006852 0.006353
12.90067 9.94534 10.26834 -0.003713 -0.046900 -0.012685
17.40760 10.25314 11.57387 -0.022746 -0.040843 0.017952
14.84553 10.65634 12.01294 0.012702 -0.033156 0.003383
12.09160 6.31793 15.56215 0.001347 -0.008304 -0.004208
13.66330 11.76838 1.50243 0.008099 -0.021477 0.028393
15.90808 14.97969 5.66759 0.000762 0.040837 -0.047343
12.90234 14.38066 1.10662 0.003147 0.026560 0.017218
17.39979 15.79595 3.12260 0.016360 0.037670 -0.019232
14.24465 13.87010 7.98683 -0.010290 -0.002658 -0.005162
11.50975 12.98027 8.22780 -0.001806 -0.005086 -0.012103
13.37751 12.44417 10.26044 0.004052 -0.032683 0.016341
15.76289 14.59733 14.23402 -0.028454 -0.024652 0.034449
17.35248 15.55367 12.27553 -0.343644 0.027513 0.068053
11.51892 12.39014 17.28946 0.019913 -0.008802 0.018777
2.14782 0.44560 2.19550 -0.005964 0.007277 0.004645
3.29477 2.11300 4.94555 0.003721 0.001001 0.004580
2.45654 5.15830 5.71352 0.001049 0.002509 -0.002658
17.13665 1.28635 8.55333 0.008285 -0.013535 0.000506
2.05496 17.16622 9.63831 0.006141 -0.016962 0.018251
2.76007 4.61458 14.97268 -0.196850 0.130847 0.142566
5.82104 5.64963 12.65472 -0.124976 -0.050641 0.025575
1.99867 2.73895 15.76239 -0.655412 0.727361 0.924126
16.62702 0.41219 17.23014 0.053607 0.058245 0.050523
0.53299 8.97932 0.15968 -0.005042 0.013117 0.002801
6.28070 9.99466 4.05905 -0.000568 0.006123 0.000785
2.80484 10.34140 2.60493 0.000222 0.008304 0.002526
5.85876 7.59725 14.24081 0.017884 0.025360 -0.004265
2.33378 8.07412 16.06384 -0.000709 0.003929 0.001211
0.72196 11.42800 1.39191 0.001055 0.011905 -0.009465
4.17641 17.36384 8.00554 0.003300 0.005800 0.001370
0.17664 14.81238 7.80592 0.005096 -0.002822 0.008909
5.28314 15.15948 14.98492 -0.156447 0.087177 -0.099140
1.99589 13.21868 11.02572 -0.004232 0.035174 0.009819
4.90269 16.46159 10.85427 0.126285 0.056304 -0.217729
11.44760 2.27402 4.62061 -0.001940 0.003291 0.001505
6.42001 2.18281 1.50214 0.008223 -0.000937 -0.003004
11.20298 6.44871 5.00937 -0.001880 0.004962 0.000629
8.23943 2.94593 3.71752 0.001155 0.005315 0.000028
9.07830 3.43667 7.86385 0.008844 0.009959 -0.019228
8.13841 17.45818 9.05432 0.008380 0.034260 -0.054211
11.09062 4.59939 10.31069 0.007772 0.004879 -0.006857
8.29143 2.75175 15.42638 0.007206 -0.014825 -0.001476
8.82941 17.22992 17.22214 -0.006811 0.006910 -0.005910
7.50840 7.62286 6.62087 -0.003988 0.003260 0.004407
4.60511 5.74329 8.41778 -0.002668 -0.002231 -0.015081
12.92668 11.75537 13.63632 -0.000346 0.004576 -0.000397
8.02117 10.55523 12.10517 -0.008524 0.006740 -0.004429
8.67556 7.71636 17.49570 -0.008871 0.006916 0.005235
11.47875 15.24589 6.91703 -0.000426 0.001827 0.002752
9.35972 16.97903 6.56192 0.001369 0.007687 0.002548
11.03713 17.07922 2.67792 -0.001864 0.002201 -0.001003
7.42775 12.08916 10.09180 -0.006095 0.011055 0.001571
7.92017 14.83580 12.09082 -0.025812 0.020857 -0.000477
8.50905 1.48718 11.99359 0.020354 -0.009702 -0.008195
13.83892 16.58967 17.12637 -0.001914 0.003308 -0.003195
14.18064 2.16404 1.76300 -0.003101 0.002261 0.001907
0.22637 2.85420 3.74771 -0.002347 0.003199 0.000381
13.55731 4.46328 4.56374 0.003717 0.001612 -0.001403
13.93368 3.48067 13.12140 0.007806 0.006300 0.003861
14.29477 4.78199 0.25086 -0.003374 0.001772 0.001399
12.05112 9.01860 17.04503 -0.000233 0.006721 0.001006
16.27694 10.80430 6.52497 0.001565 0.008284 -0.000503
16.72250 7.84092 12.70809 -0.003351 0.004601 -0.003559
0.08131 12.14367 13.72814 -0.000393 0.011303 0.000211
15.18747 8.06134 16.77823 -0.003623 0.006537 -0.001851
15.33129 0.80027 4.23469 -0.003841 0.004952 0.000578
15.22283 14.74953 2.39790 0.001443 0.005119 -0.001605
11.52991 14.60593 10.60396 -0.005120 0.011027 -0.000564
14.54913 0.08259 13.94141 -0.005023 0.019771 0.003829
13.64918 15.17179 12.57877 -0.010465 0.007727 -0.004632
14.26990 11.73639 16.04700 -0.004803 0.002421 -0.000083
2.83011 17.00291 0.89614 -0.007010 -0.013986 -0.028307
5.01762 2.19884 4.72481 -0.002255 0.002725 0.006829
2.72197 6.40768 4.52960 -0.000134 0.011394 0.006499
0.61592 0.85326 7.17988 0.001836 0.006801 0.013531
1.05804 0.47662 10.87149 0.006086 -0.042922 0.025737
2.72869 6.02833 13.97220 0.041530 -0.128422 -0.049015
6.27365 4.07474 13.21275 0.123065 0.026470 0.049833
3.39789 2.54642 16.78232 -0.434980 0.593944 0.822219
0.26647 0.03376 15.97352 0.039702 0.024951 -0.024309
16.86896 8.04953 1.06168 0.004774 -0.002339 -0.005384
5.26691 11.21282 3.35522 -0.001835 -0.000232 -0.005769
1.79651 10.63408 3.97172 -0.001012 0.000016 -0.001571
4.24367 8.25477 13.91418 0.004599 0.040505 -0.011662
3.20146 7.72932 0.04071 0.033122 -0.022512 -0.023155
17.29565 11.52683 2.88643 0.001284 -0.002286 -0.000009
5.09458 17.34903 6.48077 -0.000053 0.006528 0.003009
16.80060 13.95067 9.04167 0.011225 0.004653 -0.001838
5.65314 14.35380 13.49055 0.066106 -0.137498 0.036218
2.85103 14.37043 10.06567 -0.026028 0.019565 0.027815
4.88020 0.46410 11.72901 -0.032573 -0.182265 0.120221
11.82432 3.49932 5.78478 0.000412 0.006752 -0.000684
6.33916 3.40343 0.25044 0.009591 0.001052 0.002471
9.59394 6.71839 4.41200 0.001882 0.007646 0.000942
7.91802 4.38505 4.66043 0.000694 0.002776 -0.001107
8.23543 2.62518 6.58554 0.000832 0.007884 -0.000526
6.41431 17.32071 8.88054 -0.001653 0.007896 0.046729
11.14557 3.00954 10.98712 0.003635 0.005375 0.001207
9.36027 3.86210 16.23230 0.004371 0.008943 0.002244
7.53966 17.41529 0.94072 -0.004604 0.002181 -0.009386
8.48774 8.36338 7.84778 -0.003407 0.003529 0.002904
5.72768 5.64505 7.08615 -0.002642 -0.000364 0.002012
11.53162 12.14308 12.66419 -0.002599 0.003564 0.000534
7.77778 8.79967 12.01567 0.009643 0.007187 0.004470
7.67148 7.97660 16.05599 0.011173 0.016403 0.003304
11.96712 14.11387 5.69832 0.002243 0.006285 -0.000142
9.20674 0.45352 5.13285 -0.001936 0.003041 -0.001243
12.42086 17.27854 3.71166 0.002060 0.005803 0.002161
5.72984 12.20671 9.71226 0.000450 0.005316 0.007449
7.06651 14.59485 10.54611 -0.013441 0.032478 0.020007
8.18003 0.43236 13.34917 -0.017475 -0.032209 -0.006767
12.13433 16.79403 17.35819 0.000475 0.005613 -0.002338
12.47800 1.85419 1.86970 0.002271 0.004202 -0.001731
16.61133 3.22326 2.47663 -0.007516 0.001188 0.005061
14.18380 5.80672 3.64923 0.000436 0.005410 0.001379
14.87276 2.50739 12.03337 -0.003062 0.000138 0.001154
14.23243 6.19147 1.27631 -0.002529 0.006636 -0.000736
12.93327 8.58137 1.02753 -0.002428 0.005810 -0.000972
0.31818 10.15222 5.96061 0.002204 0.008549 0.002417
0.23893 8.66414 13.84372 -0.003200 0.018908 -0.002270
17.08408 11.06555 14.99139 0.004928 0.011036 0.003356
14.24371 8.22849 15.33189 0.005162 0.003023 -0.000408
17.03243 0.72423 4.52831 0.003631 0.002359 0.001176
14.06257 14.70897 3.69175 -0.000130 0.007137 0.002242
11.55248 15.52990 9.11606 -0.006616 0.000299 0.002004
15.79992 0.71375 12.92180 0.009981 -0.007322 0.001473
14.66771 14.92743 11.20480 0.015109 0.013451 0.004631
13.59723 13.22883 15.45681 -0.002704 0.003227 0.002335
0.28893 16.96969 9.61776 -0.010427 0.030044 -0.028033
5.14861 8.79609 15.34428 -0.020775 -0.019516 0.016695
16.57887 10.76457 1.44815 -0.002009 0.009761 -0.001819
3.32280 17.43531 6.45000 -0.000736 0.002995 -0.000174
7.22345 0.33037 16.74849 -0.007466 -0.030858 -0.001833
8.80270 9.61454 10.81195 0.002421 0.005032 0.001538
8.32656 6.35754 16.39008 0.013277 0.000765 0.000916
8.73549 15.20213 10.55252 0.020985 -0.030805 -0.006782
11.35757 7.84337 0.68199 0.002396 0.004418 0.000562
17.07689 11.54135 5.11708 -0.001280 0.001978 0.004017
1.05898 4.30352 7.32607 0.001291 0.020848 0.019928
4.03509 12.56543 11.20951 -0.004686 -0.030000 -0.011766
2.98241 12.61908 2.99845 -0.006903 0.004751 -0.001506
13.02951 6.77394 13.23542 -0.002319 -0.003227 -0.000849
9.81405 10.04557 13.02717 0.000070 -0.007814 -0.000078
14.38062 12.44509 3.83928 0.000832 -0.001259 0.001725
15.29130 12.60070 6.14349 -0.008265 0.003616 -0.008926
1.51212 12.17674 0.04632 -0.024582 -0.001234 0.026015
5.20365 1.54821 15.21091 0.509777 2.229520 0.269896
6.79297 14.20253 8.32851 0.003383 -0.010000 -0.004177
11.61515 7.96197 6.76612 -0.000730 0.009895 -0.000771
10.25461 10.96603 6.21744 -0.001726 0.015326 0.001961
11.90891 11.26603 4.43245 -0.004042 0.009459 0.004913
8.53540 10.78259 3.48001 -0.000655 0.002775 -0.002619
9.76681 9.93079 2.50215 0.000035 0.003597 0.000299
8.80784 11.23977 1.76494 -0.003764 0.001817 -0.001618
14.97448 6.01037 8.35394 -0.006390 0.005559 -0.003817
10.93413 4.83383 7.59381 -0.003490 -0.001110 -0.001622
13.14865 5.92816 9.67432 0.000581 0.009977 -0.000852
12.65000 8.06887 9.52187 -0.000591 0.001741 -0.002279
13.90414 8.18239 10.79823 0.001722 0.003617 0.001210
12.16474 8.24325 11.23577 -0.001545 0.002939 0.002483
5.27827 14.04824 2.20496 0.003518 0.010063 -0.028105
10.20084 2.92381 1.69633 0.003161 0.000549 0.000446
7.46833 14.00510 0.41146 -0.017322 0.009170 -0.016095
7.48179 15.39929 3.01468 0.000424 0.004205 -0.003228
8.41010 16.93048 3.00754 -0.000265 0.007658 0.001373
8.99741 15.53505 2.05618 -0.003077 0.003489 -0.000363
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 -0.000000
BORN EFFECTIVE CHARGE FOR ION 6 DIRECTION 2 : -0.302 3.305 0.527
rigid augmentation : 0.000 0.200 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : -0.302 -0.895 0.527
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 18/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 21( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258995; 1190.000000 electrons
Band energy:-0.912001E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258909; 1190.000000 electrons
Band energy:-0.912027E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01045866
-V(xc)+E(xc) XCENC = 0.02081312
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03343358
---------------------------------------------------
free energy TOTEN = -0.02307912 eV
energy without entropy = -0.02307912
----------------------------------------- Iteration 21( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258995; 1190.000000 electrons
Band energy:-0.912001E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258909; 1190.000000 electrons
Band energy:-0.912027E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.97646E+00 rms(broyden)= 0.97566E+00
rms(prec ) = 0.10439E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01045866
-V(xc)+E(xc) XCENC = 0.02081312
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01378523
---------------------------------------------------
free energy TOTEN = -0.00343076 eV
energy without entropy = -0.00343076
----------------------------------------- Iteration 21( 3) ---------------------------------------
BZINTS: Fermi energy: 0.259000; 1190.000000 electrons
Band energy:-0.912001E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258904; 1190.000000 electrons
Band energy:-0.912028E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.59821E+00 rms(broyden)= 0.59814E+00
rms(prec ) = 0.64205E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4467
2.4467
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00987112
-V(xc)+E(xc) XCENC = 0.01815085
PAW double counting = 0.02394757 -0.02394985
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01362550
---------------------------------------------------
free energy TOTEN = -0.00534805 eV
energy without entropy = -0.00534805
----------------------------------------- Iteration 21( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259014; 1190.000000 electrons
Band energy:-0.911998E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258890; 1190.000000 electrons
Band energy:-0.912030E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11238E+00 rms(broyden)= 0.11224E+00
rms(prec ) = 0.13739E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0521
1.6436 2.4606
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00926109
-V(xc)+E(xc) XCENC = 0.01669363
PAW double counting = 0.15662318 -0.15663469
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01381257
---------------------------------------------------
free energy TOTEN = -0.00639154 eV
energy without entropy = -0.00639154
----------------------------------------- Iteration 21( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259017; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258887; 1190.000000 electrons
Band energy:-0.912031E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.48148E-01 rms(broyden)= 0.48109E-01
rms(prec ) = 0.63669E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7832
2.6942 1.3277 1.3277
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00892847
-V(xc)+E(xc) XCENC = 0.01632657
PAW double counting = 0.17602300 -0.17603381
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01409505
---------------------------------------------------
free energy TOTEN = -0.00670777 eV
energy without entropy = -0.00670777
----------------------------------------- Iteration 21( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259019; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258885; 1190.000000 electrons
Band energy:-0.912031E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.26647E-01 rms(broyden)= 0.26634E-01
rms(prec ) = 0.37952E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7455
2.6980 2.2043 1.0399 1.0399
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00892919
-V(xc)+E(xc) XCENC = 0.01636947
PAW double counting = 0.18286814 -0.18287956
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01407767
---------------------------------------------------
free energy TOTEN = -0.00664881 eV
energy without entropy = -0.00664881
----------------------------------------- Iteration 21( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259021; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258883; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12241E-01 rms(broyden)= 0.12235E-01
rms(prec ) = 0.20077E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8191
3.0269 2.3707 1.7229 0.9874 0.9874
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00888670
-V(xc)+E(xc) XCENC = 0.01637585
PAW double counting = 0.18229659 -0.18230771
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01410692
---------------------------------------------------
free energy TOTEN = -0.00662888 eV
energy without entropy = -0.00662888
----------------------------------------- Iteration 21( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259023; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258881; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.52343E-02 rms(broyden)= 0.52265E-02
rms(prec ) = 0.88323E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8731
3.6200 2.5139 1.7677 1.3964 0.9702 0.9702
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00888393
-V(xc)+E(xc) XCENC = 0.01644285
PAW double counting = 0.18143649 -0.18144765
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01410473
---------------------------------------------------
free energy TOTEN = -0.00655697 eV
energy without entropy = -0.00655697
----------------------------------------- Iteration 21( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259024; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258880; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.30134E-02 rms(broyden)= 0.30083E-02
rms(prec ) = 0.42106E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9776
4.0985 2.7302 2.3416 1.4752 0.9885 1.1047 1.1047
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887415
-V(xc)+E(xc) XCENC = 0.01646086
PAW double counting = 0.18087498 -0.18088612
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01410803
---------------------------------------------------
free energy TOTEN = -0.00653246 eV
energy without entropy = -0.00653246
----------------------------------------- Iteration 21( 10) ---------------------------------------
BZINTS: Fermi energy: 0.259024; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258880; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11242E-02 rms(broyden)= 0.11213E-02
rms(prec ) = 0.15949E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9784
4.6477 2.8045 2.4676 1.7565 1.2337 1.0036 1.0036 0.9096
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887509
-V(xc)+E(xc) XCENC = 0.01646726
PAW double counting = 0.18067114 -0.18068231
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01410223
---------------------------------------------------
free energy TOTEN = -0.00652123 eV
energy without entropy = -0.00652123
----------------------------------------- Iteration 21( 11) ---------------------------------------
BZINTS: Fermi energy: 0.259024; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258880; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.57067E-03 rms(broyden)= 0.56980E-03
rms(prec ) = 0.85112E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9921
4.8673 2.9060 2.5042 2.0752 1.5460 1.1169 1.1169 0.9436 0.8530
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887385
-V(xc)+E(xc) XCENC = 0.01646478
PAW double counting = 0.18080552 -0.18081669
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01409960
---------------------------------------------------
free energy TOTEN = -0.00651984 eV
energy without entropy = -0.00651984
----------------------------------------- Iteration 21( 12) ---------------------------------------
BZINTS: Fermi energy: 0.259024; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258880; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.22684E-03 rms(broyden)= 0.22648E-03
rms(prec ) = 0.37613E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9920
4.9498 3.3463 2.6245 2.2281 1.7224 1.1125 1.1125 0.9927 0.9927 0.8385
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887345
-V(xc)+E(xc) XCENC = 0.01646327
PAW double counting = 0.18083947 -0.18085059
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01409786
---------------------------------------------------
free energy TOTEN = -0.00651916 eV
energy without entropy = -0.00651916
----------------------------------------- Iteration 21( 13) ---------------------------------------
BZINTS: Fermi energy: 0.259024; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258880; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12506E-03 rms(broyden)= 0.12488E-03
rms(prec ) = 0.19137E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0027
5.1284 3.6261 2.6474 2.4303 1.8300 1.4716 1.1096 1.1096 0.9395 0.9395
0.7982
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887369
-V(xc)+E(xc) XCENC = 0.01646314
PAW double counting = 0.18085165 -0.18086279
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01409634
---------------------------------------------------
free energy TOTEN = -0.00651803 eV
energy without entropy = -0.00651803
----------------------------------------- Iteration 21( 14) ---------------------------------------
BZINTS: Fermi energy: 0.259024; 1190.000000 electrons
Band energy:-0.911997E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258880; 1190.000000 electrons
Band energy:-0.912032E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.64032E-04 rms(broyden)= 0.63941E-04
rms(prec ) = 0.94773E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9921
5.2870 3.8938 2.8345 2.4453 1.9669 1.6698 1.1202 1.1202 0.9624 0.9624
0.9204 0.7218
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00887385
-V(xc)+E(xc) XCENC = 0.01646324
PAW double counting = 0.18084079 -0.18085195
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01409501
---------------------------------------------------
free energy TOTEN = -0.00651678 eV
energy without entropy = -0.00651678
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0504 0.00000
5 0.1026 0.00000
6 0.0831 0.00000
7 0.0238 0.00000
8 0.0395 0.00000
9 0.1745 0.00000
10 0.1214 0.00000
11 0.0775 0.00000
12 -0.0387 0.00000
13 -0.0143 0.00000
14 -0.0549 0.00000
15 0.2182 0.00000
16 1.1898 0.00000
17 0.5299 0.00000
18 0.0506 0.00000
19 -0.0143 0.00000
20 -0.1154 0.00000
21 0.0355 0.00000
22 -0.0454 0.00000
23 -0.0161 0.00000
24 0.5411 0.00000
25 0.0679 0.00000
26 -0.1368 0.00000
27 -0.1536 0.00000
28 0.1486 0.00000
29 0.0245 0.00000
30 -0.1549 0.00000
31 0.7242 0.00000
32 0.2307 0.00000
33 -0.0021 0.00000
34 0.0177 0.00000
35 0.0098 0.00000
36 0.6638 0.00000
37 0.3622 0.00000
38 0.0899 0.00000
39 0.6516 0.00000
40 0.0274 0.00000
41 0.0515 0.00000
42 0.1045 0.00000
43 -0.0019 0.00000
44 -0.0804 0.00000
45 0.3254 0.00000
46 0.4603 0.00000
47 -0.0442 0.00000
48 0.2115 0.00000
49 0.0347 0.00000
50 0.1778 0.00000
51 -0.0197 0.00000
52 0.0846 0.00000
53 -0.0212 0.00000
54 0.0882 0.00000
55 0.0627 0.00000
56 0.6490 0.00000
57 -0.0740 0.00000
58 0.1238 0.00000
59 0.2592 0.00000
60 0.0054 0.00000
61 0.1024 0.00000
62 -0.1469 0.00000
63 0.7455 0.00000
64 0.6086 0.00000
65 0.0520 0.00000
66 -0.0749 0.00000
67 -0.0619 0.00000
68 0.2275 0.00000
69 0.0302 0.00000
70 0.0346 0.00000
71 -0.0327 0.00000
72 -0.0280 0.00000
73 0.0543 0.00000
74 0.0493 0.00000
75 -0.0135 0.00000
76 -0.0917 0.00000
77 -0.0121 0.00000
78 -0.0016 0.00000
79 -0.1077 0.00000
80 0.0042 0.00000
81 -0.1361 0.00000
82 -0.2013 0.00000
83 -0.0483 0.00000
84 0.0713 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1811 0.00000
89 0.0343 0.00000
90 0.0119 0.00000
91 -0.1429 0.00000
92 0.2090 0.00000
93 -0.1899 0.00000
94 0.0808 0.00000
95 -0.4038 0.00000
96 -0.5646 0.00000
97 -0.0338 0.00000
98 0.0582 0.00000
99 0.1049 0.00000
100 0.2208 0.00000
101 0.0646 0.00000
102 -0.0590 0.00000
103 -0.0188 0.00000
104 -0.2373 0.00000
105 -0.0833 0.00000
106 -0.0266 0.00000
107 0.0633 0.00000
108 -0.0559 0.00000
109 0.1630 0.00000
110 0.1095 0.00000
111 0.0851 0.00000
112 0.0799 0.00000
113 -0.0346 0.00000
114 0.1508 0.00000
115 -0.0524 0.00000
116 0.0959 0.00000
117 -0.0207 0.00000
118 -0.4051 0.00000
119 -0.2793 0.00000
120 -0.0139 0.00000
121 -0.1983 0.00000
122 -0.1055 0.00000
123 -0.5780 0.00000
124 -0.7577 0.00000
125 0.1669 0.00000
126 0.0058 0.00000
127 0.0225 0.00000
128 0.1055 0.00000
129 -0.5600 0.00000
130 -0.0530 0.00000
131 0.0962 0.00000
132 -0.0396 0.00000
133 -0.0019 0.00000
134 0.0715 0.00000
135 0.0314 0.00000
136 -0.0955 0.00000
137 0.2102 0.00000
138 0.0296 0.00000
139 -0.0647 0.00000
140 -0.0344 0.00000
141 -0.1359 0.00000
142 0.0222 0.00000
143 -0.0772 0.00000
144 -0.0526 0.00000
145 -0.0183 0.00000
146 0.0031 0.00000
147 -0.0171 0.00000
148 0.0559 0.00000
149 0.1346 0.00000
150 0.0153 0.00000
151 0.1357 0.00000
152 0.1031 0.00000
153 0.0840 0.00000
154 0.0935 0.00000
155 -0.0381 0.00000
156 0.2268 0.00000
157 0.0250 0.00000
158 -0.1755 0.00000
159 0.3748 0.00000
160 0.1013 0.00000
161 0.0724 0.00000
162 0.2478 0.00000
163 0.0384 0.00000
164 0.1181 0.00000
165 0.0970 0.00000
166 0.0951 0.00000
167 0.0424 0.00000
168 -0.0008 0.00000
169 0.1347 0.00000
170 0.0596 0.00000
171 0.0940 0.00000
172 0.1535 0.00000
173 0.0883 0.00000
174 0.0307 0.00000
175 0.0432 0.00000
176 0.0342 0.00000
177 0.0672 0.00000
178 0.2715 0.00000
179 0.0448 0.00000
180 -0.0151 0.00000
181 0.2453 0.00000
182 -0.0117 0.00000
183 0.0397 0.00000
184 -0.0455 0.00000
185 -0.1343 0.00000
186 -0.0090 0.00000
187 0.3210 0.00000
188 0.2405 0.00000
189 -0.0077 0.00000
190 0.0380 0.00000
191 0.0027 0.00000
192 0.0805 0.00000
193 -0.0025 0.00000
194 0.0656 0.00000
195 -0.1316 0.00000
196 0.0126 0.00000
197 -0.0869 0.00000
198 0.0497 0.00000
199 0.0504 0.00000
200 0.0323 0.00000
201 -0.0054 0.00000
202 0.0293 0.00000
203 0.1788 0.00000
204 0.0671 0.00000
205 0.1026 0.00000
206 0.0720 0.00000
207 0.0422 0.00000
208 0.0541 0.00000
209 0.0244 0.00000
210 0.1318 0.00000
211 0.1485 0.00000
212 -0.0124 0.00000
213 0.0718 0.00000
214 0.1060 0.00000
215 0.3357 0.00000
216 0.0716 0.00000
217 0.3963 0.00000
218 0.0146 0.00000
219 0.0124 0.00000
220 0.0620 0.00000
221 0.0700 0.00000
222 0.1093 0.00000
223 0.4070 0.00000
224 0.5766 0.00000
225 -0.0022 0.00000
226 -0.0171 0.00000
227 -0.0097 0.00000
228 0.0298 0.00000
229 -0.0063 0.00000
230 -0.0583 0.00000
231 0.1208 0.00000
232 0.0305 0.00000
233 -0.0127 0.00000
234 -0.0626 0.00000
235 -0.2548 0.00000
236 -0.0828 0.00000
237 0.0283 0.00000
238 -0.3639 0.00000
239 -0.0295 0.00000
240 -0.1343 0.00000
241 0.0170 0.00000
242 0.0293 0.00000
243 -0.0476 0.00000
244 0.0615 0.00000
245 -0.0001 0.00000
246 -0.0009 0.00000
247 0.0445 0.00000
248 0.0122 0.00000
249 -0.0216 0.00000
250 0.0325 0.00000
251 0.0660 0.00000
252 -0.0482 0.00000
253 0.0019 0.00000
254 0.0367 0.00000
255 -0.1334 0.00000
256 0.0313 0.00000
257 -0.0115 0.00000
258 -0.0227 0.00000
259 -0.0062 0.00000
260 0.0284 0.00000
261 -0.0057 0.00000
262 -0.0595 0.00000
263 0.0439 0.00000
264 -0.0307 0.00000
265 -0.0122 0.00000
266 -0.0558 0.00000
267 -0.0392 0.00000
268 -0.0233 0.00000
269 0.0655 0.00000
270 0.0402 0.00000
271 0.0208 0.00000
272 0.0093 0.00000
273 -0.0114 0.00000
274 0.0661 0.00000
275 0.0021 0.00000
276 0.0668 0.00000
277 -0.0117 0.00000
278 -0.1389 0.00000
279 -0.0063 0.00000
280 -0.0074 0.00000
281 0.0565 0.00000
282 0.0699 0.00000
283 -0.0192 0.00000
284 0.0113 0.00000
285 0.0308 0.00000
286 0.0251 0.00000
287 -0.0020 0.00000
288 -0.1316 0.00000
289 0.0207 0.00000
290 -0.0277 0.00000
291 0.0931 0.00000
292 0.0752 0.00000
293 0.0730 0.00000
294 -0.0493 0.00000
295 0.1881 0.00000
296 -0.1468 0.00000
297 0.1773 0.00000
298 0.0907 0.00000
299 -0.0836 0.00000
300 0.0481 0.00000
301 -0.0330 0.00000
302 -0.0900 0.00000
303 0.0034 0.00000
304 -0.0628 0.00000
305 0.0178 0.00000
306 -0.0860 0.00000
307 0.1114 0.00000
308 0.0369 0.00000
309 -0.0209 0.00000
310 -0.0331 0.00000
311 0.0020 0.00000
312 -0.0475 0.00000
313 0.0128 0.00000
314 0.0427 0.00000
315 0.0259 0.00000
316 -0.0228 0.00000
317 0.0614 0.00000
318 0.0495 0.00000
319 0.0141 0.00000
320 -0.0688 0.00000
321 0.0033 0.00000
322 0.0009 0.00000
323 0.0113 0.00000
324 0.0054 0.00000
325 0.0376 0.00000
326 0.0116 0.00000
327 0.0962 0.00000
328 -0.0494 0.00000
329 -0.0172 0.00000
330 0.0546 0.00000
331 -0.0067 0.00000
332 0.0167 0.00000
333 -0.0069 0.00000
334 0.0020 0.00000
335 0.0093 0.00000
336 0.0159 0.00000
337 0.0028 0.00000
338 -0.0293 0.00000
339 0.0833 0.00000
340 0.0262 0.00000
341 0.0144 0.00000
342 -0.0089 0.00000
343 -0.0215 0.00000
344 0.0718 0.00000
345 -0.0353 0.00000
346 0.1256 0.00000
347 0.0488 0.00000
348 0.0469 0.00000
349 0.0285 0.00000
350 0.1595 0.00000
351 0.0179 0.00000
352 0.0402 0.00000
353 0.0469 0.00000
354 -0.0742 0.00000
355 -0.0343 0.00000
356 0.0426 0.00000
357 -0.0425 0.00000
358 0.0453 0.00000
359 0.0500 0.00000
360 -0.0088 0.00000
361 0.0572 0.00000
362 0.0038 0.00000
363 0.0725 0.00000
364 -0.0454 0.00000
365 0.0564 0.00000
366 -0.0120 0.00000
367 0.1862 0.00000
368 0.0166 0.00000
369 -0.0122 0.00000
370 0.0639 0.00000
371 0.0353 0.00000
372 0.0269 0.00000
373 -0.0263 0.00000
374 0.0544 0.00000
375 0.0152 0.00000
376 0.0182 0.00000
377 0.0253 0.00000
378 0.0194 0.00000
379 -0.0147 0.00000
380 0.0222 0.00000
381 0.0182 0.00000
382 0.0798 0.00000
383 -0.0133 0.00000
384 0.0077 0.00000
385 0.0730 0.00000
386 0.0688 0.00000
387 0.0412 0.00000
388 -0.0106 0.00000
389 -0.0112 0.00000
390 0.0068 0.00000
391 0.0011 0.00000
392 0.0389 0.00000
393 0.0485 0.00000
394 0.0321 0.00000
395 0.0849 0.00000
396 0.0509 0.00000
397 -0.0227 0.00000
398 0.0089 0.00000
399 -0.0170 0.00000
400 0.0271 0.00000
401 0.0299 0.00000
402 -0.0232 0.00000
403 0.0042 0.00000
404 0.0685 0.00000
405 -0.0410 0.00000
406 0.0499 0.00000
407 0.0708 0.00000
408 0.0562 0.00000
409 -0.0354 0.00000
410 0.0598 0.00000
411 -0.0285 0.00000
412 0.0741 0.00000
413 0.0004 0.00000
414 0.0430 0.00000
415 0.0272 0.00000
416 -0.0505 0.00000
417 -0.0420 0.00000
418 -0.0002 0.00000
419 -0.0282 0.00000
420 0.0217 0.00000
421 0.0059 0.00000
422 0.0537 0.00000
423 0.0841 0.00000
424 0.0475 0.00000
425 0.0573 0.00000
426 0.1114 0.00000
427 -0.0325 0.00000
428 -0.0221 0.00000
429 0.0081 0.00000
430 0.0534 0.00000
431 0.0565 0.00000
432 -0.0135 0.00000
433 0.0445 0.00000
434 -0.0052 0.00000
435 0.0423 0.00000
436 0.0609 0.00000
437 0.0626 0.00000
438 -0.0323 0.00000
439 0.0604 0.00000
440 -0.0017 0.00000
441 0.0185 0.00000
442 0.0657 0.00000
443 0.0849 0.00000
444 0.1899 0.00000
445 0.0605 0.00000
446 0.1750 0.00000
447 0.1040 0.00000
448 -0.0132 0.00000
449 0.1704 0.00000
450 0.0452 0.00000
451 0.0541 0.00000
452 -0.0368 0.00000
453 0.0453 0.00000
454 0.0205 0.00000
455 0.0479 0.00000
456 0.0446 0.00000
457 0.0861 0.00000
458 0.0548 0.00000
459 -0.0763 0.00000
460 0.0360 0.00000
461 0.1314 0.00000
462 0.0126 0.00000
463 0.0204 0.00000
464 0.1861 0.00000
465 0.0412 0.00000
466 0.2040 0.00000
467 0.0527 0.00000
468 -0.0531 0.00000
469 0.0860 0.00000
470 0.1295 0.00000
471 0.0996 0.00000
472 0.0592 0.00000
473 0.0538 0.00000
474 0.0756 0.00000
475 0.1427 0.00000
476 0.0932 0.00000
477 0.0720 0.00000
478 0.0681 0.00000
479 0.1914 0.00000
480 0.0249 0.00000
481 0.2654 0.00000
482 0.0679 0.00000
483 0.2778 0.00000
484 0.2207 0.00000
485 0.0210 0.00000
486 0.0119 0.00000
487 0.0543 0.00000
488 0.1064 0.00000
489 0.1090 0.00000
490 -0.0044 0.00000
491 0.0075 0.00000
492 0.0371 0.00000
493 -0.0015 0.00000
494 -0.0109 0.00000
495 0.0438 0.00000
496 0.0909 0.00000
497 0.0301 0.00000
498 0.0585 0.00000
499 0.0675 0.00000
500 0.0076 0.00000
501 0.0629 0.00000
502 0.0144 0.00000
503 0.0210 0.00000
504 0.1092 0.00000
505 0.0987 0.00000
506 0.1025 0.00000
507 -0.0067 0.00000
508 0.0630 0.00000
509 -0.0142 0.00000
510 -0.0011 0.00000
511 0.0018 0.00000
512 -0.0033 0.00000
513 0.0227 0.00000
514 -0.0311 0.00000
515 0.0706 0.00000
516 0.0074 0.00000
517 0.0358 0.00000
518 -0.0235 0.00000
519 0.0438 0.00000
520 -0.0506 0.00000
521 0.0512 0.00000
522 -0.0261 0.00000
523 0.1507 0.00000
524 -0.0149 0.00000
525 0.0044 0.00000
526 -0.0267 0.00000
527 0.0350 0.00000
528 0.0348 0.00000
529 -0.0244 0.00000
530 -0.0399 0.00000
531 -0.0400 0.00000
532 -0.0129 0.00000
533 -0.0886 0.00000
534 -0.0327 0.00000
535 -0.0683 0.00000
536 -0.0042 0.00000
537 -0.0039 0.00000
538 -0.2612 0.00000
539 -0.0372 0.00000
540 -0.0292 0.00000
541 0.0228 0.00000
542 0.0811 0.00000
543 -0.0065 0.00000
544 -0.0963 0.00000
545 -0.1221 0.00000
546 0.0185 0.00000
547 -0.0527 0.00000
548 -0.0119 0.00000
549 0.0331 0.00000
550 0.0081 0.00000
551 -0.0155 0.00000
552 -0.0511 0.00000
553 -0.1756 0.00000
554 -0.0177 0.00000
555 -0.2014 0.00000
556 -0.1055 0.00000
557 -0.0334 0.00000
558 -0.0033 0.00000
559 -0.0581 0.00000
560 -0.0695 0.00000
561 -0.0088 0.00000
562 -0.0300 0.00000
563 -0.0265 0.00000
564 -0.0186 0.00000
565 -0.1463 0.00000
566 -0.0881 0.00000
567 0.0525 0.00000
568 -0.0079 0.00000
569 0.0280 0.00000
570 -0.0732 0.00000
571 -0.0418 0.00000
572 -0.0432 0.00000
573 0.0730 0.00000
574 -0.1568 0.00000
575 0.0357 0.00000
576 -0.0480 0.00000
577 -0.0652 0.00000
578 -0.1600 0.00000
579 -0.0863 0.00000
580 -0.0127 0.00000
581 -0.1834 0.00000
582 0.0519 0.00000
583 0.0105 0.00000
584 -0.0137 0.00000
585 0.0266 0.00000
586 0.0100 0.00000
587 -0.0464 0.00000
588 -0.0151 0.00000
589 -0.0413 0.00000
590 -0.0031 0.00000
591 0.0152 0.00000
592 -0.0074 0.00000
593 -0.0010 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0794 0.00000
597 0.0893 0.00000
598 0.0177 0.00000
599 -0.0003 0.00000
600 0.0115 0.00000
601 0.0014 0.00000
602 0.0544 0.00000
603 0.0057 0.00000
604 -0.0429 0.00000
605 0.0470 0.00000
606 0.0569 0.00000
607 -0.0034 0.00000
608 -0.0070 0.00000
609 0.0381 0.00000
610 -0.0079 0.00000
611 0.0538 0.00000
612 -0.0189 0.00000
613 0.0771 0.00000
614 -0.0683 0.00000
615 0.0116 0.00000
616 -0.0058 0.00000
617 -0.2436 0.00000
618 -0.0364 0.00000
619 -0.0721 0.00000
620 -0.0157 0.00000
621 -0.1733 0.00000
622 -0.0005 0.00000
623 0.0019 0.00000
624 -0.0624 0.00000
625 -0.0334 0.00000
626 -0.2195 0.00000
627 0.0019 0.00000
628 -0.0312 0.00000
629 -0.0672 0.00000
630 0.0091 0.00000
631 0.0174 0.00000
632 -0.0519 0.00000
633 0.0370 0.00000
634 -0.0363 0.00000
635 0.0319 0.00000
636 0.0122 0.00000
637 -0.0189 0.00000
638 -0.0113 0.00000
639 -0.1078 0.00000
640 -0.0063 0.00000
641 0.0394 0.00000
642 -0.1062 0.00000
643 -0.0229 0.00000
644 0.0562 0.00000
645 -0.1114 0.00000
646 -0.0926 0.00000
647 0.0343 0.00000
648 0.0294 0.00000
649 0.0078 0.00000
650 -0.0668 0.00000
651 0.0168 0.00000
652 -0.1205 0.00000
653 -0.0420 0.00000
654 -0.1183 0.00000
655 0.0243 0.00000
656 0.0301 0.00000
657 -0.0224 0.00000
658 -0.0188 0.00000
659 0.0198 0.00000
660 0.0351 0.00000
661 -0.0883 0.00000
662 -0.0466 0.00000
663 -0.0293 0.00000
664 0.0099 0.00000
665 -0.0023 0.00000
666 -0.0593 0.00000
667 -0.0915 0.00000
668 -0.0017 0.00000
669 -0.0241 0.00000
670 -0.0115 0.00000
671 -0.0564 0.00000
672 -0.0571 0.00000
673 -0.0242 0.00000
674 0.0123 0.00000
675 0.0122 0.00000
676 -0.0171 0.00000
677 0.0305 0.00000
678 -0.0082 0.00000
679 -0.0096 0.00000
680 -0.0562 0.00000
681 -0.0416 0.00000
682 0.0210 0.00000
683 -0.0482 0.00000
684 -0.0277 0.00000
685 -0.0638 0.00000
686 -0.0589 0.00000
687 -0.0620 0.00000
688 -0.0017 0.00000
689 0.0307 0.00000
690 0.0454 0.00000
691 -0.0080 0.00000
692 0.0107 0.00000
693 -0.0270 0.00000
694 0.0265 0.00000
695 -0.0111 0.00000
696 -0.0005 0.00000
697 -0.0116 0.00000
698 0.0098 0.00000
699 0.0027 0.00000
700 -0.0039 0.00000
701 -0.0626 0.00000
702 0.0132 0.00000
703 -0.0174 0.00000
704 0.0868 0.00000
705 -0.0852 0.00000
706 -0.0935 0.00000
707 0.0556 0.00000
708 0.0095 0.00000
709 -0.0152 0.00000
710 0.0186 0.00000
711 -0.0155 0.00000
712 -0.0566 0.00000
713 -0.0110 0.00000
714 0.0619 0.00000
715 -0.0355 0.00000
716 0.0621 0.00000
717 -0.0059 0.00000
718 -0.0426 0.00000
719 -0.0302 0.00000
720 -0.0099 0.00000
721 0.0324 0.00000
722 0.0520 0.00000
723 -0.0398 0.00000
724 -0.0277 0.00000
725 0.0106 0.00000
726 0.0310 0.00000
727 -0.0758 0.00000
728 0.0178 0.00000
729 0.0393 0.00000
730 0.0276 0.00000
731 0.0327 0.00000
732 0.0312 0.00000
733 0.0164 0.00000
734 0.0193 0.00000
735 0.0607 0.00000
736 -0.0201 0.00000
737 0.0555 0.00000
738 0.0065 0.00000
739 -0.0332 0.00000
740 0.0060 0.00000
741 -0.0696 0.00000
742 -0.0158 0.00000
743 -0.0250 0.00000
744 0.0441 0.00000
745 0.0097 0.00000
746 0.0191 0.00000
747 0.0401 0.00000
748 0.0390 0.00000
749 -0.0434 0.00000
750 -0.0084 0.00000
751 0.0200 0.00000
752 -0.0554 0.00000
753 -0.0068 0.00000
754 -0.0011 0.00000
755 -0.0064 0.00000
756 -0.0085 0.00000
757 -0.0646 0.00000
758 -0.0175 0.00000
759 0.0396 0.00000
760 0.0246 0.00000
761 -0.0063 0.00000
762 0.0316 0.00000
763 -0.0064 0.00000
764 0.0350 0.00000
765 0.0488 0.00000
766 0.0356 0.00000
767 -0.0357 0.00000
768 0.0226 0.00000
769 0.0124 0.00000
770 0.0271 0.00000
771 -0.1151 0.00000
772 -0.0520 0.00000
773 -0.1012 0.00000
774 -0.0019 0.00000
775 -0.0378 0.00000
776 -0.0435 0.00000
777 -0.0226 0.00000
778 0.0141 0.00000
779 -0.0228 0.00000
780 0.0062 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0487 0.00000
5 0.1045 0.00000
6 0.0834 0.00000
7 0.0229 0.00000
8 0.0397 0.00000
9 0.1762 0.00000
10 0.1209 0.00000
11 0.0769 0.00000
12 -0.0392 0.00000
13 -0.0143 0.00000
14 -0.0549 0.00000
15 0.2185 0.00000
16 1.1987 0.00000
17 0.5175 0.00000
18 0.0528 0.00000
19 -0.0054 0.00000
20 -0.1255 0.00000
21 0.0352 0.00000
22 -0.0449 0.00000
23 -0.0048 0.00000
24 0.3285 0.00000
25 0.2834 0.00000
26 -0.2139 0.00000
27 -0.0914 0.00000
28 0.1666 0.00000
29 -0.0302 0.00000
30 -0.1444 0.00000
31 0.7108 0.00000
32 0.2569 0.00000
33 -0.0033 0.00000
34 0.0183 0.00000
35 0.0101 0.00000
36 0.6868 0.00000
37 0.3643 0.00000
38 0.0867 0.00000
39 0.6422 0.00000
40 0.0270 0.00000
41 0.0522 0.00000
42 0.0810 0.00000
43 -0.0021 0.00000
44 -0.1000 0.00000
45 0.3094 0.00000
46 0.4935 0.00000
47 -0.0103 0.00000
48 0.2094 0.00000
49 0.0423 0.00000
50 0.1615 0.00000
51 0.0004 0.00000
52 0.0669 0.00000
53 -0.0203 0.00000
54 0.1095 0.00000
55 0.0743 0.00000
56 0.6184 0.00000
57 -0.0712 0.00000
58 0.1347 0.00000
59 0.2681 0.00000
60 -0.0017 0.00000
61 0.0111 0.00000
62 0.0747 0.00000
63 0.0113 0.00000
64 1.1055 0.00000
65 0.0442 0.00000
66 -0.0243 0.00000
67 0.1347 0.00000
68 0.0582 0.00000
69 0.0576 0.00000
70 0.0008 0.00000
71 0.0018 0.00000
72 -0.0283 0.00000
73 0.0430 0.00000
74 0.0531 0.00000
75 0.0033 0.00000
76 -0.1068 0.00000
77 -0.0077 0.00000
78 0.0026 0.00000
79 -0.1164 0.00000
80 0.0043 0.00000
81 -0.1360 0.00000
82 -0.2011 0.00000
83 -0.0483 0.00000
84 0.0712 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1812 0.00000
89 0.0271 0.00000
90 0.0184 0.00000
91 -0.1025 0.00000
92 0.1941 0.00000
93 -0.1871 0.00000
94 0.0527 0.00000
95 -0.4600 0.00000
96 -0.4975 0.00000
97 -0.0333 0.00000
98 0.0202 0.00000
99 0.1307 0.00000
100 0.2235 0.00000
101 0.0659 0.00000
102 -0.0960 0.00000
103 0.0737 0.00000
104 -0.3789 0.00000
105 0.0440 0.00000
106 -0.0883 0.00000
107 0.1031 0.00000
108 -0.0264 0.00000
109 0.1253 0.00000
110 -0.0189 0.00000
111 0.1994 0.00000
112 0.1137 0.00000
113 -0.0334 0.00000
114 0.1242 0.00000
115 -0.0573 0.00000
116 0.0537 0.00000
117 0.0167 0.00000
118 -0.3822 0.00000
119 -0.2546 0.00000
120 -0.0099 0.00000
121 -0.2303 0.00000
122 -0.1177 0.00000
123 -0.2847 0.00000
124 -1.1809 0.00000
125 0.2928 0.00000
126 0.0181 0.00000
127 -0.0020 0.00000
128 0.1032 0.00000
129 -0.5786 0.00000
130 -0.0838 0.00000
131 0.1199 0.00000
132 0.0244 0.00000
133 -0.0375 0.00000
134 0.0790 0.00000
135 0.0312 0.00000
136 -0.0602 0.00000
137 0.1743 0.00000
138 0.0306 0.00000
139 -0.0686 0.00000
140 -0.0288 0.00000
141 -0.1337 0.00000
142 0.0239 0.00000
143 -0.0801 0.00000
144 -0.0531 0.00000
145 -0.0169 0.00000
146 0.0023 0.00000
147 -0.0174 0.00000
148 0.0317 0.00000
149 0.1598 0.00000
150 0.0178 0.00000
151 0.1171 0.00000
152 0.1950 0.00000
153 0.0350 0.00000
154 0.0818 0.00000
155 -0.0433 0.00000
156 0.0518 0.00000
157 0.0519 0.00000
158 -0.0522 0.00000
159 0.3441 0.00000
160 0.1559 0.00000
161 0.1962 0.00000
162 0.0262 0.00000
163 0.0532 0.00000
164 0.2324 0.00000
165 0.1285 0.00000
166 0.0882 0.00000
167 0.1572 0.00000
168 -0.0439 0.00000
169 -0.0127 0.00000
170 0.0397 0.00000
171 0.0072 0.00000
172 0.1202 0.00000
173 0.0896 0.00000
174 0.0503 0.00000
175 0.1336 0.00000
176 0.2297 0.00000
177 0.0431 0.00000
178 0.0225 0.00000
179 0.1620 0.00000
180 0.0380 0.00000
181 0.2054 0.00000
182 0.0385 0.00000
183 -0.0730 0.00000
184 -0.0504 0.00000
185 -0.1597 0.00000
186 -0.0173 0.00000
187 0.5069 0.00000
188 0.0938 0.00000
189 0.0631 0.00000
190 0.0225 0.00000
191 0.0010 0.00000
192 0.0915 0.00000
193 0.0558 0.00000
194 0.0360 0.00000
195 -0.2481 0.00000
196 0.0595 0.00000
197 0.0365 0.00000
198 -0.0544 0.00000
199 0.0516 0.00000
200 0.0242 0.00000
201 -0.0074 0.00000
202 0.0260 0.00000
203 0.2183 0.00000
204 0.0835 0.00000
205 0.0688 0.00000
206 0.0420 0.00000
207 0.0533 0.00000
208 0.0322 0.00000
209 0.0571 0.00000
210 0.1818 0.00000
211 0.0918 0.00000
212 0.0694 0.00000
213 0.0180 0.00000
214 0.0181 0.00000
215 0.6091 0.00000
216 0.1627 0.00000
217 -0.0541 0.00000
218 0.0229 0.00000
219 0.1298 0.00000
220 0.2608 0.00000
221 0.0491 0.00000
222 0.0090 0.00000
223 0.2813 0.00000
224 0.6546 0.00000
225 -0.0701 0.00000
226 0.0352 0.00000
227 -0.0075 0.00000
228 0.0285 0.00000
229 -0.0091 0.00000
230 -0.0416 0.00000
231 0.1208 0.00000
232 0.0202 0.00000
233 -0.0042 0.00000
234 -0.0757 0.00000
235 -0.2147 0.00000
236 -0.1956 0.00000
237 -0.0152 0.00000
238 -0.1447 0.00000
239 0.0520 0.00000
240 -0.0749 0.00000
241 -0.2486 0.00000
242 0.0600 0.00000
243 0.0194 0.00000
244 -0.0024 0.00000
245 0.0144 0.00000
246 -0.0163 0.00000
247 0.0435 0.00000
248 0.0453 0.00000
249 -0.0270 0.00000
250 0.0040 0.00000
251 0.0697 0.00000
252 -0.0132 0.00000
253 -0.0203 0.00000
254 -0.1210 0.00000
255 -0.0111 0.00000
256 -0.0176 0.00000
257 0.0491 0.00000
258 -0.0076 0.00000
259 -0.0417 0.00000
260 0.0435 0.00000
261 0.0575 0.00000
262 -0.1012 0.00000
263 -0.0092 0.00000
264 0.0385 0.00000
265 -0.0284 0.00000
266 -0.0673 0.00000
267 -0.0199 0.00000
268 -0.0144 0.00000
269 0.0288 0.00000
270 0.0484 0.00000
271 0.0019 0.00000
272 0.0480 0.00000
273 -0.0102 0.00000
274 0.1093 0.00000
275 -0.0069 0.00000
276 -0.0236 0.00000
277 -0.0122 0.00000
278 -0.0195 0.00000
279 -0.1052 0.00000
280 -0.0012 0.00000
281 0.1273 0.00000
282 0.0348 0.00000
283 -0.0393 0.00000
284 0.0227 0.00000
285 0.0279 0.00000
286 0.0001 0.00000
287 -0.0253 0.00000
288 0.0013 0.00000
289 0.0251 0.00000
290 0.0132 0.00000
291 -0.0006 0.00000
292 -0.0724 0.00000
293 0.0705 0.00000
294 0.1267 0.00000
295 0.0018 0.00000
296 0.0471 0.00000
297 0.1115 0.00000
298 -0.0009 0.00000
299 -0.0111 0.00000
300 0.0397 0.00000
301 0.0300 0.00000
302 -0.0472 0.00000
303 -0.0146 0.00000
304 -0.0189 0.00000
305 -0.0752 0.00000
306 -0.0407 0.00000
307 0.0277 0.00000
308 -0.0405 0.00000
309 0.0483 0.00000
310 -0.0680 0.00000
311 0.0281 0.00000
312 0.0684 0.00000
313 0.0089 0.00000
314 0.0686 0.00000
315 -0.0181 0.00000
316 -0.0099 0.00000
317 0.0283 0.00000
318 -0.0009 0.00000
319 0.0247 0.00000
320 -0.0051 0.00000
321 -0.0954 0.00000
322 0.0329 0.00000
323 0.0037 0.00000
324 -0.0255 0.00000
325 0.0538 0.00000
326 0.0013 0.00000
327 0.0424 0.00000
328 0.0214 0.00000
329 -0.0108 0.00000
330 0.0069 0.00000
331 0.0138 0.00000
332 0.0275 0.00000
333 0.0454 0.00000
334 -0.0424 0.00000
335 -0.0501 0.00000
336 0.0573 0.00000
337 -0.0012 0.00000
338 0.0054 0.00000
339 0.0698 0.00000
340 0.0082 0.00000
341 -0.0192 0.00000
342 0.0676 0.00000
343 0.0534 0.00000
344 0.0762 0.00000
345 0.0132 0.00000
346 0.0253 0.00000
347 -0.0153 0.00000
348 0.0980 0.00000
349 0.0736 0.00000
350 0.0323 0.00000
351 0.0085 0.00000
352 0.0035 0.00000
353 0.0312 0.00000
354 0.0605 0.00000
355 -0.0127 0.00000
356 0.0713 0.00000
357 -0.0082 0.00000
358 -0.0213 0.00000
359 0.0474 0.00000
360 0.0086 0.00000
361 -0.0007 0.00000
362 0.0140 0.00000
363 0.0238 0.00000
364 0.0230 0.00000
365 0.0414 0.00000
366 0.0945 0.00000
367 0.0916 0.00000
368 -0.0055 0.00000
369 -0.0084 0.00000
370 0.0509 0.00000
371 -0.0042 0.00000
372 0.0185 0.00000
373 0.0216 0.00000
374 0.0364 0.00000
375 0.0185 0.00000
376 0.0001 0.00000
377 0.0248 0.00000
378 0.0680 0.00000
379 0.0516 0.00000
380 0.0207 0.00000
381 0.0297 0.00000
382 0.0425 0.00000
383 -0.0052 0.00000
384 0.0081 0.00000
385 0.0557 0.00000
386 0.0522 0.00000
387 0.0693 0.00000
388 -0.0669 0.00000
389 0.0663 0.00000
390 0.0225 0.00000
391 -0.0328 0.00000
392 -0.0014 0.00000
393 0.0363 0.00000
394 0.0881 0.00000
395 0.0610 0.00000
396 0.0242 0.00000
397 -0.0148 0.00000
398 0.0251 0.00000
399 0.0229 0.00000
400 0.0184 0.00000
401 0.0006 0.00000
402 0.0221 0.00000
403 0.0205 0.00000
404 0.0105 0.00000
405 -0.0068 0.00000
406 0.0613 0.00000
407 0.0280 0.00000
408 -0.0919 0.00000
409 0.0562 0.00000
410 0.0251 0.00000
411 0.0605 0.00000
412 -0.0004 0.00000
413 -0.0097 0.00000
414 0.0396 0.00000
415 0.0307 0.00000
416 -0.0706 0.00000
417 0.0838 0.00000
418 -0.0273 0.00000
419 -0.0683 0.00000
420 0.0258 0.00000
421 0.0816 0.00000
422 0.0669 0.00000
423 0.0088 0.00000
424 -0.0582 0.00000
425 0.0557 0.00000
426 0.1533 0.00000
427 0.0257 0.00000
428 0.0244 0.00000
429 -0.0258 0.00000
430 -0.0320 0.00000
431 0.0591 0.00000
432 0.0031 0.00000
433 0.0861 0.00000
434 0.0244 0.00000
435 0.0242 0.00000
436 0.0438 0.00000
437 0.0591 0.00000
438 0.0978 0.00000
439 0.0333 0.00000
440 0.0496 0.00000
441 0.0667 0.00000
442 0.0587 0.00000
443 0.1322 0.00000
444 0.0645 0.00000
445 0.0962 0.00000
446 0.1806 0.00000
447 0.0665 0.00000
448 0.0155 0.00000
449 -0.1158 0.00000
450 0.1068 0.00000
451 -0.0161 0.00000
452 0.0086 0.00000
453 0.0199 0.00000
454 0.0830 0.00000
455 0.0826 0.00000
456 0.0369 0.00000
457 -0.0249 0.00000
458 0.0031 0.00000
459 0.0831 0.00000
460 0.0775 0.00000
461 0.2001 0.00000
462 0.0420 0.00000
463 0.0502 0.00000
464 0.0056 0.00000
465 0.1418 0.00000
466 0.0415 0.00000
467 0.1721 0.00000
468 0.0544 0.00000
469 0.0674 0.00000
470 0.1152 0.00000
471 -0.0131 0.00000
472 0.0856 0.00000
473 0.0424 0.00000
474 0.2369 0.00000
475 0.2212 0.00000
476 0.0303 0.00000
477 0.0981 0.00000
478 0.0164 0.00000
479 0.0564 0.00000
480 0.4488 0.00000
481 0.1187 0.00000
482 0.0575 0.00000
483 0.0326 0.00000
484 0.0289 0.00000
485 0.0669 0.00000
486 0.1183 0.00000
487 0.0867 0.00000
488 -0.0224 0.00000
489 0.0702 0.00000
490 0.0584 0.00000
491 0.1137 0.00000
492 0.0680 0.00000
493 0.0589 0.00000
494 0.0900 0.00000
495 0.0111 0.00000
496 -0.0589 0.00000
497 0.0439 0.00000
498 0.0738 0.00000
499 -0.0065 0.00000
500 0.0355 0.00000
501 0.0614 0.00000
502 0.0572 0.00000
503 0.0317 0.00000
504 0.0602 0.00000
505 0.0572 0.00000
506 -0.0229 0.00000
507 0.0323 0.00000
508 0.0879 0.00000
509 -0.0059 0.00000
510 0.1340 0.00000
511 0.0239 0.00000
512 0.0545 0.00000
513 -0.0115 0.00000
514 0.0208 0.00000
515 0.0799 0.00000
516 -0.0400 0.00000
517 0.0262 0.00000
518 -0.0131 0.00000
519 0.0866 0.00000
520 -0.0071 0.00000
521 0.0047 0.00000
522 0.0319 0.00000
523 0.0251 0.00000
524 -0.0626 0.00000
525 0.0318 0.00000
526 -0.1210 0.00000
527 -0.0181 0.00000
528 0.0477 0.00000
529 0.0240 0.00000
530 0.0071 0.00000
531 0.0240 0.00000
532 0.0355 0.00000
533 -0.1116 0.00000
534 -0.0793 0.00000
535 -0.1043 0.00000
536 -0.0390 0.00000
537 -0.1301 0.00000
538 -0.0383 0.00000
539 -0.0658 0.00000
540 -0.0831 0.00000
541 0.0032 0.00000
542 0.0289 0.00000
543 0.0219 0.00000
544 -0.1439 0.00000
545 -0.0572 0.00000
546 0.1363 0.00000
547 -0.0518 0.00000
548 -0.1316 0.00000
549 -0.0828 0.00000
550 -0.0111 0.00000
551 0.0049 0.00000
552 -0.0427 0.00000
553 0.0105 0.00000
554 -0.0670 0.00000
555 -0.1438 0.00000
556 -0.0433 0.00000
557 -0.0278 0.00000
558 -0.1334 0.00000
559 0.0143 0.00000
560 -0.0399 0.00000
561 -0.0458 0.00000
562 -0.0336 0.00000
563 -0.0745 0.00000
564 -0.0462 0.00000
565 -0.0312 0.00000
566 -0.0057 0.00000
567 -0.1244 0.00000
568 -0.0122 0.00000
569 -0.0766 0.00000
570 -0.0006 0.00000
571 -0.0322 0.00000
572 0.0524 0.00000
573 0.0814 0.00000
574 -0.0369 0.00000
575 -0.0805 0.00000
576 -0.0151 0.00000
577 -0.0990 0.00000
578 -0.1952 0.00000
579 -0.1976 0.00000
580 -0.0348 0.00000
581 -0.0435 0.00000
582 0.0585 0.00000
583 -0.0137 0.00000
584 -0.0357 0.00000
585 0.0070 0.00000
586 0.0204 0.00000
587 -0.0336 0.00000
588 -0.0144 0.00000
589 -0.0420 0.00000
590 -0.0103 0.00000
591 0.0234 0.00000
592 -0.0082 0.00000
593 -0.0006 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0793 0.00000
597 0.0890 0.00000
598 0.0393 0.00000
599 -0.0460 0.00000
600 0.0151 0.00000
601 0.0763 0.00000
602 0.0519 0.00000
603 -0.0128 0.00000
604 -0.0144 0.00000
605 0.0004 0.00000
606 -0.0067 0.00000
607 0.0126 0.00000
608 0.0522 0.00000
609 -0.0138 0.00000
610 0.0144 0.00000
611 0.0366 0.00000
612 -0.0869 0.00000
613 -0.0046 0.00000
614 0.0186 0.00000
615 0.0601 0.00000
616 -0.0078 0.00000
617 -0.2266 0.00000
618 -0.1825 0.00000
619 -0.0261 0.00000
620 0.0211 0.00000
621 -0.1101 0.00000
622 -0.1041 0.00000
623 0.0141 0.00000
624 -0.0434 0.00000
625 -0.0053 0.00000
626 0.0183 0.00000
627 -0.0983 0.00000
628 -0.0517 0.00000
629 0.0298 0.00000
630 0.0236 0.00000
631 -0.0419 0.00000
632 -0.0470 0.00000
633 -0.0618 0.00000
634 -0.0085 0.00000
635 0.0233 0.00000
636 -0.0330 0.00000
637 0.0070 0.00000
638 0.0318 0.00000
639 -0.0055 0.00000
640 -0.0494 0.00000
641 -0.0638 0.00000
642 0.0504 0.00000
643 -0.0974 0.00000
644 -0.0869 0.00000
645 -0.0289 0.00000
646 -0.0396 0.00000
647 0.0283 0.00000
648 -0.0272 0.00000
649 -0.1711 0.00000
650 -0.0039 0.00000
651 -0.0533 0.00000
652 -0.0422 0.00000
653 0.0810 0.00000
654 -0.0183 0.00000
655 -0.0238 0.00000
656 -0.0052 0.00000
657 0.0095 0.00000
658 -0.0358 0.00000
659 -0.0585 0.00000
660 -0.0193 0.00000
661 -0.0834 0.00000
662 -0.0306 0.00000
663 0.0059 0.00000
664 -0.0273 0.00000
665 -0.0394 0.00000
666 0.0128 0.00000
667 -0.0096 0.00000
668 -0.0213 0.00000
669 0.0159 0.00000
670 -0.0070 0.00000
671 -0.0583 0.00000
672 -0.0387 0.00000
673 -0.0785 0.00000
674 -0.0438 0.00000
675 -0.0020 0.00000
676 -0.0118 0.00000
677 0.0062 0.00000
678 0.0295 0.00000
679 -0.0226 0.00000
680 -0.1095 0.00000
681 -0.0363 0.00000
682 -0.0020 0.00000
683 -0.0624 0.00000
684 -0.0223 0.00000
685 -0.0800 0.00000
686 -0.0468 0.00000
687 0.0272 0.00000
688 0.0312 0.00000
689 -0.0181 0.00000
690 -0.0150 0.00000
691 -0.0255 0.00000
692 -0.0368 0.00000
693 -0.0016 0.00000
694 -0.0197 0.00000
695 -0.0250 0.00000
696 -0.0068 0.00000
697 0.0162 0.00000
698 0.0418 0.00000
699 0.0303 0.00000
700 0.0022 0.00000
701 0.0098 0.00000
702 -0.0023 0.00000
703 -0.0117 0.00000
704 -0.0302 0.00000
705 -0.0119 0.00000
706 0.0442 0.00000
707 -0.0411 0.00000
708 0.0149 0.00000
709 0.0525 0.00000
710 0.0176 0.00000
711 -0.0334 0.00000
712 -0.0764 0.00000
713 0.0217 0.00000
714 0.0195 0.00000
715 0.0057 0.00000
716 0.0039 0.00000
717 -0.0331 0.00000
718 0.0390 0.00000
719 -0.0302 0.00000
720 0.0539 0.00000
721 -0.0628 0.00000
722 0.0146 0.00000
723 0.0104 0.00000
724 -0.0033 0.00000
725 0.0016 0.00000
726 -0.0067 0.00000
727 -0.0227 0.00000
728 0.0096 0.00000
729 0.0423 0.00000
730 0.0513 0.00000
731 0.0077 0.00000
732 -0.0094 0.00000
733 0.0544 0.00000
734 0.0486 0.00000
735 -0.0111 0.00000
736 0.0470 0.00000
737 -0.0284 0.00000
738 -0.0340 0.00000
739 0.0158 0.00000
740 0.0501 0.00000
741 -0.0311 0.00000
742 -0.0171 0.00000
743 -0.0169 0.00000
744 -0.0229 0.00000
745 0.0094 0.00000
746 -0.0564 0.00000
747 -0.0012 0.00000
748 0.0195 0.00000
749 -0.0351 0.00000
750 0.0531 0.00000
751 -0.0022 0.00000
752 0.0328 0.00000
753 -0.1009 0.00000
754 -0.0075 0.00000
755 0.0562 0.00000
756 0.0215 0.00000
757 -0.0367 0.00000
758 0.0419 0.00000
759 0.0204 0.00000
760 0.0321 0.00000
761 -0.0219 0.00000
762 -0.0440 0.00000
763 -0.1054 0.00000
764 0.0038 0.00000
765 0.0415 0.00000
766 -0.0308 0.00000
767 0.0333 0.00000
768 -0.0168 0.00000
769 0.0254 0.00000
770 0.0121 0.00000
771 -0.0117 0.00000
772 0.0465 0.00000
773 0.0223 0.00000
774 0.0049 0.00000
775 -0.0032 0.00000
776 -0.0162 0.00000
777 -0.0286 0.00000
778 -0.0214 0.00000
779 -0.0265 0.00000
780 -0.0065 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0506 0.00000
5 0.1023 0.00000
6 0.0840 0.00000
7 0.0229 0.00000
8 0.0395 0.00000
9 0.1749 0.00000
10 0.1219 0.00000
11 0.0775 0.00000
12 -0.0387 0.00000
13 -0.0143 0.00000
14 -0.0550 0.00000
15 0.2182 0.00000
16 1.4533 0.00000
17 0.2028 0.00000
18 0.1060 0.00000
19 0.0157 0.00000
20 -0.1381 0.00000
21 0.0355 0.00000
22 -0.0481 0.00000
23 -0.0187 0.00000
24 0.5529 0.00000
25 0.0615 0.00000
26 -0.1620 0.00000
27 -0.1291 0.00000
28 0.1068 0.00000
29 0.0693 0.00000
30 -0.1292 0.00000
31 0.6429 0.00000
32 0.1965 0.00000
33 0.0141 0.00000
34 0.0209 0.00000
35 0.0126 0.00000
36 0.9010 0.00000
37 0.1554 0.00000
38 0.0643 0.00000
39 0.0731 0.00000
40 0.7546 0.00000
41 0.0482 0.00000
42 0.1455 0.00000
43 -0.0021 0.00000
44 0.0021 0.00000
45 0.1427 0.00000
46 -0.0978 0.00000
47 0.4698 0.00000
48 0.3227 0.00000
49 0.1284 0.00000
50 0.0665 0.00000
51 -0.0223 0.00000
52 0.0335 0.00000
53 -0.0221 0.00000
54 0.0562 0.00000
55 0.0590 0.00000
56 0.6762 0.00000
57 -0.0716 0.00000
58 0.1019 0.00000
59 0.2556 0.00000
60 0.0462 0.00000
61 0.0711 0.00000
62 -0.0169 0.00000
63 0.5542 0.00000
64 0.4183 0.00000
65 0.2754 0.00000
66 -0.0266 0.00000
67 0.0914 0.00000
68 0.0509 0.00000
69 0.0336 0.00000
70 0.0367 0.00000
71 -0.0319 0.00000
72 -0.0280 0.00000
73 0.0534 0.00000
74 0.0492 0.00000
75 -0.0110 0.00000
76 -0.0940 0.00000
77 -0.0108 0.00000
78 -0.0052 0.00000
79 -0.1062 0.00000
80 0.0043 0.00000
81 -0.1360 0.00000
82 -0.2013 0.00000
83 -0.0483 0.00000
84 0.0712 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1811 0.00000
89 0.0344 0.00000
90 0.0124 0.00000
91 -0.1478 0.00000
92 0.2137 0.00000
93 -0.1924 0.00000
94 0.0725 0.00000
95 -0.3923 0.00000
96 -0.5741 0.00000
97 -0.0106 0.00000
98 0.1026 0.00000
99 0.0410 0.00000
100 0.2373 0.00000
101 0.0542 0.00000
102 -0.0415 0.00000
103 0.0287 0.00000
104 -0.3501 0.00000
105 -0.0551 0.00000
106 -0.0130 0.00000
107 0.0671 0.00000
108 0.0195 0.00000
109 0.1158 0.00000
110 0.1675 0.00000
111 -0.0287 0.00000
112 0.1257 0.00000
113 -0.0912 0.00000
114 0.1548 0.00000
115 -0.0624 0.00000
116 0.1104 0.00000
117 -0.0248 0.00000
118 -0.3545 0.00000
119 -0.2872 0.00000
120 -0.0047 0.00000
121 -0.2260 0.00000
122 -0.1022 0.00000
123 -0.0276 0.00000
124 -1.5241 0.00000
125 0.3756 0.00000
126 0.0068 0.00000
127 0.0367 0.00000
128 0.0907 0.00000
129 -0.5779 0.00000
130 -0.0226 0.00000
131 0.1232 0.00000
132 -0.0778 0.00000
133 0.0174 0.00000
134 0.0669 0.00000
135 0.0326 0.00000
136 -0.1018 0.00000
137 0.2160 0.00000
138 0.0341 0.00000
139 -0.0721 0.00000
140 -0.0376 0.00000
141 -0.1363 0.00000
142 0.0237 0.00000
143 -0.0768 0.00000
144 -0.0487 0.00000
145 -0.0199 0.00000
146 0.0029 0.00000
147 -0.0170 0.00000
148 0.0431 0.00000
149 0.1465 0.00000
150 0.0200 0.00000
151 0.1646 0.00000
152 0.1146 0.00000
153 0.0606 0.00000
154 0.0499 0.00000
155 -0.0041 0.00000
156 0.1293 0.00000
157 -0.1694 0.00000
158 0.3125 0.00000
159 0.1308 0.00000
160 0.0273 0.00000
161 0.0941 0.00000
162 0.1737 0.00000
163 0.2045 0.00000
164 0.2402 0.00000
165 0.0395 0.00000
166 0.0301 0.00000
167 0.2557 0.00000
168 -0.0747 0.00000
169 0.0687 0.00000
170 0.0002 0.00000
171 0.0938 0.00000
172 0.0318 0.00000
173 0.1294 0.00000
174 0.0452 0.00000
175 -0.0205 0.00000
176 0.0469 0.00000
177 0.0892 0.00000
178 0.1323 0.00000
179 0.2346 0.00000
180 0.0701 0.00000
181 0.1617 0.00000
182 0.1343 0.00000
183 0.0001 0.00000
184 -0.1172 0.00000
185 -0.1333 0.00000
186 0.0163 0.00000
187 0.3314 0.00000
188 0.1576 0.00000
189 -0.0593 0.00000
190 0.0024 0.00000
191 0.0195 0.00000
192 0.1595 0.00000
193 0.0791 0.00000
194 -0.0090 0.00000
195 -0.0293 0.00000
196 0.0227 0.00000
197 -0.0720 0.00000
198 -0.0485 0.00000
199 0.0322 0.00000
200 0.0130 0.00000
201 0.0717 0.00000
202 0.0177 0.00000
203 0.0530 0.00000
204 0.0920 0.00000
205 0.0858 0.00000
206 0.1247 0.00000
207 0.1449 0.00000
208 0.0304 0.00000
209 -0.0011 0.00000
210 0.1298 0.00000
211 0.1560 0.00000
212 -0.0107 0.00000
213 0.0686 0.00000
214 0.2520 0.00000
215 0.0606 0.00000
216 -0.0335 0.00000
217 -0.0374 0.00000
218 0.7221 0.00000
219 0.0296 0.00000
220 0.0291 0.00000
221 0.0628 0.00000
222 0.1546 0.00000
223 0.3551 0.00000
224 0.4973 0.00000
225 0.0188 0.00000
226 -0.0016 0.00000
227 -0.0042 0.00000
228 0.0311 0.00000
229 -0.0108 0.00000
230 -0.0577 0.00000
231 0.1208 0.00000
232 0.0330 0.00000
233 -0.0157 0.00000
234 -0.0627 0.00000
235 -0.2116 0.00000
236 -0.0989 0.00000
237 -0.4179 0.00000
238 -0.0091 0.00000
239 0.0018 0.00000
240 -0.0725 0.00000
241 0.0131 0.00000
242 -0.0685 0.00000
243 -0.0134 0.00000
244 0.1107 0.00000
245 0.0015 0.00000
246 -0.0094 0.00000
247 0.0429 0.00000
248 0.0261 0.00000
249 -0.0407 0.00000
250 0.0447 0.00000
251 0.0455 0.00000
252 0.0266 0.00000
253 -0.1370 0.00000
254 0.0198 0.00000
255 -0.0122 0.00000
256 -0.0141 0.00000
257 0.0168 0.00000
258 0.0128 0.00000
259 -0.0381 0.00000
260 -0.0250 0.00000
261 -0.0434 0.00000
262 -0.0491 0.00000
263 0.0659 0.00000
264 0.0380 0.00000
265 -0.0344 0.00000
266 -0.0185 0.00000
267 0.0242 0.00000
268 -0.0263 0.00000
269 -0.0306 0.00000
270 0.0210 0.00000
271 0.0554 0.00000
272 0.0363 0.00000
273 0.0057 0.00000
274 -0.0100 0.00000
275 0.0262 0.00000
276 0.0062 0.00000
277 -0.1202 0.00000
278 0.0063 0.00000
279 0.0364 0.00000
280 -0.0070 0.00000
281 -0.0164 0.00000
282 -0.0164 0.00000
283 0.1067 0.00000
284 -0.0391 0.00000
285 0.0334 0.00000
286 0.0185 0.00000
287 0.0487 0.00000
288 -0.0343 0.00000
289 -0.0275 0.00000
290 -0.0179 0.00000
291 0.0624 0.00000
292 0.0106 0.00000
293 0.1322 0.00000
294 0.0971 0.00000
295 0.0162 0.00000
296 0.0027 0.00000
297 0.1233 0.00000
298 -0.0243 0.00000
299 0.0628 0.00000
300 -0.0106 0.00000
301 -0.1037 0.00000
302 -0.0482 0.00000
303 -0.0350 0.00000
304 0.0272 0.00000
305 -0.1693 0.00000
306 -0.0349 0.00000
307 0.1296 0.00000
308 0.1157 0.00000
309 -0.0631 0.00000
310 0.0272 0.00000
311 -0.0607 0.00000
312 0.0454 0.00000
313 -0.0212 0.00000
314 -0.0160 0.00000
315 -0.0252 0.00000
316 0.0499 0.00000
317 0.0412 0.00000
318 0.0135 0.00000
319 -0.0162 0.00000
320 -0.0199 0.00000
321 -0.0199 0.00000
322 0.0244 0.00000
323 -0.0136 0.00000
324 -0.0338 0.00000
325 0.0103 0.00000
326 0.0469 0.00000
327 0.0836 0.00000
328 -0.0151 0.00000
329 0.0941 0.00000
330 0.0142 0.00000
331 0.0201 0.00000
332 0.0234 0.00000
333 -0.0507 0.00000
334 0.0135 0.00000
335 -0.0149 0.00000
336 0.0082 0.00000
337 0.0163 0.00000
338 -0.0291 0.00000
339 0.0348 0.00000
340 0.0309 0.00000
341 0.0216 0.00000
342 -0.0340 0.00000
343 0.0635 0.00000
344 0.0701 0.00000
345 0.0547 0.00000
346 0.0159 0.00000
347 0.0380 0.00000
348 0.0842 0.00000
349 0.0830 0.00000
350 0.0011 0.00000
351 0.0131 0.00000
352 0.0361 0.00000
353 0.0547 0.00000
354 0.0287 0.00000
355 0.0457 0.00000
356 0.0220 0.00000
357 0.0362 0.00000
358 -0.0136 0.00000
359 -0.0373 0.00000
360 0.0231 0.00000
361 0.0055 0.00000
362 0.0037 0.00000
363 0.0466 0.00000
364 0.0264 0.00000
365 -0.0034 0.00000
366 0.1188 0.00000
367 0.0275 0.00000
368 0.0313 0.00000
369 0.0032 0.00000
370 0.0878 0.00000
371 0.0198 0.00000
372 0.0282 0.00000
373 0.0595 0.00000
374 0.0049 0.00000
375 0.0324 0.00000
376 -0.0097 0.00000
377 0.0224 0.00000
378 -0.0339 0.00000
379 0.0055 0.00000
380 -0.0046 0.00000
381 0.0732 0.00000
382 0.0145 0.00000
383 -0.0039 0.00000
384 0.1244 0.00000
385 -0.0377 0.00000
386 0.0354 0.00000
387 -0.0118 0.00000
388 0.0993 0.00000
389 -0.0204 0.00000
390 -0.0373 0.00000
391 0.0224 0.00000
392 0.0613 0.00000
393 0.0731 0.00000
394 0.1190 0.00000
395 -0.0402 0.00000
396 0.0153 0.00000
397 0.0126 0.00000
398 0.0259 0.00000
399 -0.0021 0.00000
400 0.0500 0.00000
401 0.0145 0.00000
402 -0.0014 0.00000
403 -0.0161 0.00000
404 0.0502 0.00000
405 -0.0022 0.00000
406 0.0366 0.00000
407 0.0842 0.00000
408 0.0433 0.00000
409 -0.0756 0.00000
410 0.0023 0.00000
411 0.1018 0.00000
412 -0.0146 0.00000
413 0.0256 0.00000
414 0.0714 0.00000
415 0.0180 0.00000
416 -0.0605 0.00000
417 -0.0529 0.00000
418 0.0638 0.00000
419 -0.0442 0.00000
420 0.0442 0.00000
421 0.0289 0.00000
422 0.0471 0.00000
423 0.0459 0.00000
424 0.0143 0.00000
425 -0.0686 0.00000
426 0.0603 0.00000
427 -0.0305 0.00000
428 0.0535 0.00000
429 0.0501 0.00000
430 0.0455 0.00000
431 0.0868 0.00000
432 0.0725 0.00000
433 0.0157 0.00000
434 0.0970 0.00000
435 0.0595 0.00000
436 0.1189 0.00000
437 -0.0656 0.00000
438 -0.0186 0.00000
439 -0.0021 0.00000
440 0.0715 0.00000
441 0.0334 0.00000
442 0.0415 0.00000
443 0.0711 0.00000
444 0.1340 0.00000
445 0.0476 0.00000
446 0.0318 0.00000
447 0.2004 0.00000
448 0.0723 0.00000
449 -0.0591 0.00000
450 0.0200 0.00000
451 0.0183 0.00000
452 0.0828 0.00000
453 0.1529 0.00000
454 0.0256 0.00000
455 0.0487 0.00000
456 0.0295 0.00000
457 0.0809 0.00000
458 0.0211 0.00000
459 0.0287 0.00000
460 0.0751 0.00000
461 0.0062 0.00000
462 0.0071 0.00000
463 0.2779 0.00000
464 0.1802 0.00000
465 0.1021 0.00000
466 0.0985 0.00000
467 -0.0153 0.00000
468 0.0965 0.00000
469 0.1240 0.00000
470 0.0126 0.00000
471 0.0887 0.00000
472 0.0806 0.00000
473 -0.0141 0.00000
474 0.0299 0.00000
475 0.1602 0.00000
476 -0.0132 0.00000
477 -0.0047 0.00000
478 0.1935 0.00000
479 -0.0206 0.00000
480 0.2435 0.00000
481 0.0188 0.00000
482 -0.0088 0.00000
483 0.2930 0.00000
484 0.1801 0.00000
485 0.1540 0.00000
486 0.1243 0.00000
487 -0.0366 0.00000
488 0.0625 0.00000
489 0.0637 0.00000
490 0.0597 0.00000
491 0.3315 0.00000
492 0.0320 0.00000
493 0.1527 0.00000
494 0.0081 0.00000
495 0.0496 0.00000
496 0.0184 0.00000
497 0.0498 0.00000
498 0.0277 0.00000
499 0.0481 0.00000
500 0.0173 0.00000
501 0.0067 0.00000
502 0.0100 0.00000
503 0.0463 0.00000
504 -0.0189 0.00000
505 0.1215 0.00000
506 -0.0031 0.00000
507 -0.0408 0.00000
508 0.0543 0.00000
509 0.0260 0.00000
510 0.0311 0.00000
511 0.0624 0.00000
512 -0.0384 0.00000
513 -0.0276 0.00000
514 0.0447 0.00000
515 -0.0062 0.00000
516 0.0162 0.00000
517 0.0091 0.00000
518 -0.1025 0.00000
519 0.0250 0.00000
520 0.0176 0.00000
521 0.0595 0.00000
522 0.0420 0.00000
523 0.0715 0.00000
524 -0.0306 0.00000
525 0.0555 0.00000
526 0.0027 0.00000
527 0.0395 0.00000
528 -0.0516 0.00000
529 -0.1929 0.00000
530 0.0255 0.00000
531 0.0273 0.00000
532 -0.0394 0.00000
533 0.0190 0.00000
534 -0.0196 0.00000
535 0.0288 0.00000
536 -0.0004 0.00000
537 -0.0719 0.00000
538 -0.0206 0.00000
539 -0.0018 0.00000
540 -0.1011 0.00000
541 -0.0362 0.00000
542 0.0140 0.00000
543 -0.0441 0.00000
544 -0.0527 0.00000
545 -0.1657 0.00000
546 0.0055 0.00000
547 -0.0415 0.00000
548 -0.0033 0.00000
549 -0.0138 0.00000
550 0.0256 0.00000
551 -0.0558 0.00000
552 0.0062 0.00000
553 0.0157 0.00000
554 -0.0834 0.00000
555 -0.1299 0.00000
556 -0.2696 0.00000
557 -0.0267 0.00000
558 -0.0218 0.00000
559 -0.0843 0.00000
560 -0.0828 0.00000
561 -0.0262 0.00000
562 -0.0147 0.00000
563 -0.0439 0.00000
564 -0.0016 0.00000
565 -0.1432 0.00000
566 -0.0350 0.00000
567 -0.0021 0.00000
568 0.0045 0.00000
569 -0.0374 0.00000
570 0.0528 0.00000
571 -0.0847 0.00000
572 -0.1598 0.00000
573 -0.0080 0.00000
574 -0.0674 0.00000
575 0.0802 0.00000
576 -0.0219 0.00000
577 -0.1106 0.00000
578 -0.0684 0.00000
579 -0.0484 0.00000
580 -0.1417 0.00000
581 -0.0004 0.00000
582 -0.0724 0.00000
583 0.0259 0.00000
584 -0.0370 0.00000
585 0.0244 0.00000
586 0.0195 0.00000
587 -0.0431 0.00000
588 -0.0169 0.00000
589 -0.0418 0.00000
590 -0.0026 0.00000
591 0.0138 0.00000
592 -0.0092 0.00000
593 -0.0008 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0794 0.00000
597 0.0893 0.00000
598 0.0213 0.00000
599 -0.0532 0.00000
600 0.0643 0.00000
601 0.0156 0.00000
602 -0.0046 0.00000
603 0.0266 0.00000
604 -0.0021 0.00000
605 -0.0011 0.00000
606 0.0650 0.00000
607 0.0235 0.00000
608 0.0759 0.00000
609 0.0066 0.00000
610 -0.0244 0.00000
611 0.0818 0.00000
612 -0.0086 0.00000
613 -0.0278 0.00000
614 -0.0107 0.00000
615 -0.0501 0.00000
616 -0.0801 0.00000
617 -0.0814 0.00000
618 -0.0163 0.00000
619 -0.2349 0.00000
620 0.0241 0.00000
621 0.0001 0.00000
622 -0.0609 0.00000
623 -0.1250 0.00000
624 -0.0647 0.00000
625 -0.0564 0.00000
626 -0.0795 0.00000
627 -0.1495 0.00000
628 0.0034 0.00000
629 0.0357 0.00000
630 0.0605 0.00000
631 -0.0339 0.00000
632 -0.0193 0.00000
633 -0.0174 0.00000
634 -0.0051 0.00000
635 -0.0282 0.00000
636 -0.0544 0.00000
637 -0.0019 0.00000
638 -0.0542 0.00000
639 -0.0801 0.00000
640 -0.0219 0.00000
641 -0.0084 0.00000
642 -0.0117 0.00000
643 -0.0557 0.00000
644 -0.0170 0.00000
645 -0.0084 0.00000
646 0.0447 0.00000
647 -0.0033 0.00000
648 -0.1085 0.00000
649 -0.0318 0.00000
650 0.0076 0.00000
651 -0.0187 0.00000
652 -0.0439 0.00000
653 -0.0869 0.00000
654 -0.0058 0.00000
655 -0.0550 0.00000
656 0.0637 0.00000
657 -0.0101 0.00000
658 -0.0567 0.00000
659 -0.0259 0.00000
660 -0.0363 0.00000
661 -0.0344 0.00000
662 -0.0338 0.00000
663 0.0216 0.00000
664 -0.0657 0.00000
665 -0.0014 0.00000
666 0.0097 0.00000
667 -0.0260 0.00000
668 -0.0201 0.00000
669 -0.0203 0.00000
670 -0.0203 0.00000
671 0.0013 0.00000
672 -0.0100 0.00000
673 0.0239 0.00000
674 -0.0821 0.00000
675 -0.0178 0.00000
676 -0.0536 0.00000
677 -0.0233 0.00000
678 0.0549 0.00000
679 -0.1205 0.00000
680 -0.0075 0.00000
681 -0.0531 0.00000
682 0.0223 0.00000
683 -0.0009 0.00000
684 -0.0712 0.00000
685 0.0097 0.00000
686 -0.0124 0.00000
687 -0.0178 0.00000
688 0.0058 0.00000
689 -0.0206 0.00000
690 -0.0325 0.00000
691 0.0390 0.00000
692 0.0158 0.00000
693 0.0308 0.00000
694 0.0342 0.00000
695 -0.0876 0.00000
696 -0.0375 0.00000
697 -0.0115 0.00000
698 0.0194 0.00000
699 -0.0051 0.00000
700 -0.0082 0.00000
701 -0.0373 0.00000
702 -0.0170 0.00000
703 0.0594 0.00000
704 -0.0072 0.00000
705 -0.0976 0.00000
706 0.0208 0.00000
707 -0.0459 0.00000
708 0.0134 0.00000
709 -0.0209 0.00000
710 -0.0078 0.00000
711 0.0092 0.00000
712 0.0020 0.00000
713 0.0379 0.00000
714 -0.0195 0.00000
715 -0.0046 0.00000
716 -0.0734 0.00000
717 0.0208 0.00000
718 0.0377 0.00000
719 0.0031 0.00000
720 -0.0312 0.00000
721 0.0156 0.00000
722 0.0327 0.00000
723 -0.0211 0.00000
724 -0.0023 0.00000
725 0.0608 0.00000
726 0.0076 0.00000
727 0.0193 0.00000
728 -0.0100 0.00000
729 0.0170 0.00000
730 0.0110 0.00000
731 -0.0169 0.00000
732 0.0818 0.00000
733 0.0004 0.00000
734 0.0163 0.00000
735 0.0136 0.00000
736 -0.0362 0.00000
737 0.0290 0.00000
738 -0.0502 0.00000
739 -0.0526 0.00000
740 0.0248 0.00000
741 0.0000 0.00000
742 0.0010 0.00000
743 0.0356 0.00000
744 0.0839 0.00000
745 -0.0124 0.00000
746 -0.0097 0.00000
747 0.0681 0.00000
748 0.0196 0.00000
749 0.0352 0.00000
750 -0.0657 0.00000
751 -0.0431 0.00000
752 -0.0273 0.00000
753 -0.0272 0.00000
754 -0.0918 0.00000
755 -0.0556 0.00000
756 0.0157 0.00000
757 -0.0028 0.00000
758 0.0112 0.00000
759 0.0253 0.00000
760 -0.0211 0.00000
761 -0.0118 0.00000
762 -0.0688 0.00000
763 -0.0188 0.00000
764 0.0402 0.00000
765 0.0137 0.00000
766 0.0035 0.00000
767 0.0548 0.00000
768 -0.0026 0.00000
769 -0.0584 0.00000
770 0.0354 0.00000
771 0.0220 0.00000
772 -0.0211 0.00000
773 0.0213 0.00000
774 -0.0633 0.00000
775 0.0684 0.00000
776 0.0052 0.00000
777 -0.0231 0.00000
778 -0.0217 0.00000
779 -0.0017 0.00000
780 0.0054 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0497 0.00000
5 0.1033 0.00000
6 0.0831 0.00000
7 0.0237 0.00000
8 0.0395 0.00000
9 0.1747 0.00000
10 0.1236 0.00000
11 0.0776 0.00000
12 -0.0415 0.00000
13 -0.0147 0.00000
14 -0.0547 0.00000
15 0.2181 0.00000
16 1.4259 0.00000
17 0.0279 0.00000
18 0.2912 0.00000
19 -0.0230 0.00000
20 -0.0957 0.00000
21 0.0355 0.00000
22 -0.0471 0.00000
23 0.0102 0.00000
24 0.5595 0.00000
25 0.0195 0.00000
26 -0.1012 0.00000
27 -0.1786 0.00000
28 0.1864 0.00000
29 0.0220 0.00000
30 -0.1548 0.00000
31 0.6740 0.00000
32 0.2280 0.00000
33 -0.0009 0.00000
34 0.0212 0.00000
35 0.0126 0.00000
36 0.7291 0.00000
37 0.3409 0.00000
38 0.0733 0.00000
39 0.6456 0.00000
40 0.0270 0.00000
41 0.0491 0.00000
42 0.1018 0.00000
43 -0.0019 0.00000
44 -0.0904 0.00000
45 0.3360 0.00000
46 0.4612 0.00000
47 -0.0370 0.00000
48 0.2065 0.00000
49 0.0300 0.00000
50 0.1810 0.00000
51 0.0052 0.00000
52 0.0569 0.00000
53 -0.0212 0.00000
54 0.0246 0.00000
55 0.0821 0.00000
56 0.6765 0.00000
57 -0.0687 0.00000
58 0.0910 0.00000
59 0.0357 0.00000
60 0.3127 0.00000
61 0.0901 0.00000
62 -0.1554 0.00000
63 0.7103 0.00000
64 0.5826 0.00000
65 0.1011 0.00000
66 -0.0745 0.00000
67 -0.0589 0.00000
68 0.2095 0.00000
69 0.0395 0.00000
70 0.0375 0.00000
71 -0.0327 0.00000
72 -0.0281 0.00000
73 0.0559 0.00000
74 0.0490 0.00000
75 0.0008 0.00000
76 -0.1127 0.00000
77 -0.0046 0.00000
78 0.0167 0.00000
79 -0.1281 0.00000
80 0.0043 0.00000
81 -0.1361 0.00000
82 -0.2014 0.00000
83 -0.0483 0.00000
84 0.0712 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1811 0.00000
89 0.0347 0.00000
90 0.0040 0.00000
91 0.0350 0.00000
92 0.0365 0.00000
93 -0.2028 0.00000
94 0.0617 0.00000
95 -0.3148 0.00000
96 -0.6058 0.00000
97 -0.0149 0.00000
98 0.0566 0.00000
99 0.1051 0.00000
100 0.1084 0.00000
101 0.1382 0.00000
102 -0.0203 0.00000
103 -0.3982 0.00000
104 0.0613 0.00000
105 0.0180 0.00000
106 -0.0971 0.00000
107 0.1662 0.00000
108 0.1521 0.00000
109 -0.1028 0.00000
110 0.1031 0.00000
111 0.0250 0.00000
112 0.1262 0.00000
113 -0.0189 0.00000
114 0.0287 0.00000
115 0.0788 0.00000
116 -0.0276 0.00000
117 0.0211 0.00000
118 -0.3398 0.00000
119 -0.1147 0.00000
120 -0.2672 0.00000
121 -0.0899 0.00000
122 -0.1008 0.00000
123 -0.6283 0.00000
124 -0.9554 0.00000
125 0.3713 0.00000
126 0.0172 0.00000
127 0.0208 0.00000
128 0.1065 0.00000
129 -0.6553 0.00000
130 -0.0137 0.00000
131 0.1211 0.00000
132 -0.0210 0.00000
133 0.0033 0.00000
134 0.0753 0.00000
135 0.0305 0.00000
136 -0.1295 0.00000
137 0.2766 0.00000
138 -0.0003 0.00000
139 -0.0688 0.00000
140 -0.0356 0.00000
141 -0.1343 0.00000
142 0.0229 0.00000
143 -0.0776 0.00000
144 -0.0522 0.00000
145 -0.0184 0.00000
146 0.0029 0.00000
147 -0.0171 0.00000
148 0.0537 0.00000
149 0.1408 0.00000
150 0.0114 0.00000
151 0.1876 0.00000
152 -0.0574 0.00000
153 0.1348 0.00000
154 0.1090 0.00000
155 0.1245 0.00000
156 0.0561 0.00000
157 0.0347 0.00000
158 0.1487 0.00000
159 -0.0145 0.00000
160 0.3017 0.00000
161 0.0551 0.00000
162 0.1391 0.00000
163 0.1951 0.00000
164 0.0006 0.00000
165 -0.0109 0.00000
166 -0.0608 0.00000
167 0.0791 0.00000
168 0.2709 0.00000
169 0.0567 0.00000
170 0.1291 0.00000
171 0.0277 0.00000
172 0.0486 0.00000
173 0.0535 0.00000
174 0.1000 0.00000
175 0.3431 0.00000
176 0.1026 0.00000
177 0.0491 0.00000
178 0.0558 0.00000
179 0.0393 0.00000
180 0.0363 0.00000
181 -0.0561 0.00000
182 0.0491 0.00000
183 -0.0692 0.00000
184 0.2824 0.00000
185 -0.0956 0.00000
186 -0.0238 0.00000
187 -0.0153 0.00000
188 0.1729 0.00000
189 0.0431 0.00000
190 0.3760 0.00000
191 -0.0283 0.00000
192 0.0502 0.00000
193 -0.0026 0.00000
194 -0.0692 0.00000
195 0.1158 0.00000
196 0.0023 0.00000
197 0.0163 0.00000
198 -0.1608 0.00000
199 0.0353 0.00000
200 0.0908 0.00000
201 0.0410 0.00000
202 -0.0341 0.00000
203 0.0415 0.00000
204 0.1644 0.00000
205 0.1099 0.00000
206 0.0461 0.00000
207 0.0270 0.00000
208 -0.0076 0.00000
209 0.1715 0.00000
210 0.0702 0.00000
211 0.1749 0.00000
212 0.0130 0.00000
213 -0.0049 0.00000
214 0.2660 0.00000
215 0.2594 0.00000
216 -0.0787 0.00000
217 0.0648 0.00000
218 0.3305 0.00000
219 0.1575 0.00000
220 0.0656 0.00000
221 0.1724 0.00000
222 0.1028 0.00000
223 0.1237 0.00000
224 0.7131 0.00000
225 -0.0064 0.00000
226 0.0085 0.00000
227 -0.0086 0.00000
228 0.0341 0.00000
229 -0.0109 0.00000
230 -0.0582 0.00000
231 0.1205 0.00000
232 0.0255 0.00000
233 -0.0074 0.00000
234 -0.0616 0.00000
235 -0.2552 0.00000
236 -0.0558 0.00000
237 -0.0054 0.00000
238 -0.4159 0.00000
239 -0.0520 0.00000
240 0.0441 0.00000
241 -0.0775 0.00000
242 -0.0261 0.00000
243 0.0782 0.00000
244 -0.0202 0.00000
245 -0.0386 0.00000
246 0.0435 0.00000
247 0.0309 0.00000
248 0.0235 0.00000
249 -0.0304 0.00000
250 0.0413 0.00000
251 0.0136 0.00000
252 0.0554 0.00000
253 -0.0167 0.00000
254 -0.0263 0.00000
255 -0.0283 0.00000
256 -0.0310 0.00000
257 0.0278 0.00000
258 -0.0267 0.00000
259 -0.0005 0.00000
260 -0.2236 0.00000
261 0.0872 0.00000
262 0.0729 0.00000
263 -0.0223 0.00000
264 0.0010 0.00000
265 -0.0109 0.00000
266 -0.0356 0.00000
267 -0.0413 0.00000
268 -0.0293 0.00000
269 0.0706 0.00000
270 0.0264 0.00000
271 0.0310 0.00000
272 0.0018 0.00000
273 0.0354 0.00000
274 0.0370 0.00000
275 0.0008 0.00000
276 0.0474 0.00000
277 -0.0234 0.00000
278 -0.0630 0.00000
279 -0.0489 0.00000
280 0.0197 0.00000
281 0.0332 0.00000
282 -0.0088 0.00000
283 0.0725 0.00000
284 0.0227 0.00000
285 -0.0087 0.00000
286 -0.0897 0.00000
287 -0.0034 0.00000
288 0.0559 0.00000
289 0.0362 0.00000
290 0.0346 0.00000
291 0.0411 0.00000
292 0.0238 0.00000
293 0.1035 0.00000
294 -0.0036 0.00000
295 0.0738 0.00000
296 0.0560 0.00000
297 -0.0598 0.00000
298 -0.0173 0.00000
299 0.0426 0.00000
300 0.0298 0.00000
301 0.0110 0.00000
302 -0.0577 0.00000
303 0.0025 0.00000
304 -0.0856 0.00000
305 0.0023 0.00000
306 0.0378 0.00000
307 0.0730 0.00000
308 -0.1291 0.00000
309 -0.0611 0.00000
310 -0.0758 0.00000
311 0.0749 0.00000
312 0.0550 0.00000
313 0.0010 0.00000
314 0.0259 0.00000
315 0.0646 0.00000
316 0.0211 0.00000
317 -0.0114 0.00000
318 0.0184 0.00000
319 -0.0161 0.00000
320 0.0084 0.00000
321 0.0172 0.00000
322 -0.0341 0.00000
323 0.0454 0.00000
324 -0.0366 0.00000
325 0.0658 0.00000
326 -0.0086 0.00000
327 0.0387 0.00000
328 0.1049 0.00000
329 -0.0070 0.00000
330 -0.0689 0.00000
331 -0.0111 0.00000
332 0.0235 0.00000
333 0.0653 0.00000
334 -0.0920 0.00000
335 -0.0310 0.00000
336 -0.0117 0.00000
337 0.0372 0.00000
338 0.0558 0.00000
339 -0.0187 0.00000
340 0.0290 0.00000
341 0.0450 0.00000
342 0.0135 0.00000
343 0.0364 0.00000
344 0.0462 0.00000
345 0.0825 0.00000
346 0.0698 0.00000
347 0.0165 0.00000
348 0.0971 0.00000
349 0.0559 0.00000
350 0.0180 0.00000
351 -0.0153 0.00000
352 -0.0019 0.00000
353 0.0243 0.00000
354 0.0582 0.00000
355 0.0848 0.00000
356 -0.0399 0.00000
357 0.0147 0.00000
358 -0.0577 0.00000
359 0.0218 0.00000
360 -0.0110 0.00000
361 0.0194 0.00000
362 0.0325 0.00000
363 0.0200 0.00000
364 -0.0116 0.00000
365 0.1140 0.00000
366 0.1216 0.00000
367 -0.0130 0.00000
368 -0.0006 0.00000
369 0.1180 0.00000
370 -0.0070 0.00000
371 0.0302 0.00000
372 0.0058 0.00000
373 0.1275 0.00000
374 0.0013 0.00000
375 0.0466 0.00000
376 0.0108 0.00000
377 0.0130 0.00000
378 0.0404 0.00000
379 -0.0171 0.00000
380 0.0310 0.00000
381 -0.0011 0.00000
382 -0.0113 0.00000
383 0.0311 0.00000
384 0.0174 0.00000
385 0.0741 0.00000
386 -0.0152 0.00000
387 0.0636 0.00000
388 -0.0134 0.00000
389 0.0475 0.00000
390 0.0416 0.00000
391 -0.0135 0.00000
392 0.0407 0.00000
393 -0.0014 0.00000
394 0.0502 0.00000
395 0.0518 0.00000
396 -0.0295 0.00000
397 0.0390 0.00000
398 -0.0156 0.00000
399 0.0387 0.00000
400 0.0515 0.00000
401 0.0200 0.00000
402 0.0484 0.00000
403 0.0725 0.00000
404 -0.0223 0.00000
405 0.0304 0.00000
406 -0.0415 0.00000
407 0.0262 0.00000
408 -0.0316 0.00000
409 0.0059 0.00000
410 -0.0359 0.00000
411 0.0510 0.00000
412 0.0456 0.00000
413 0.0258 0.00000
414 0.0049 0.00000
415 0.0204 0.00000
416 0.0580 0.00000
417 -0.0675 0.00000
418 0.0319 0.00000
419 -0.0025 0.00000
420 0.0179 0.00000
421 -0.0319 0.00000
422 0.0667 0.00000
423 0.0645 0.00000
424 0.0953 0.00000
425 0.0266 0.00000
426 0.0138 0.00000
427 0.1618 0.00000
428 0.0131 0.00000
429 0.0423 0.00000
430 -0.0109 0.00000
431 -0.0005 0.00000
432 -0.0338 0.00000
433 -0.0408 0.00000
434 0.1045 0.00000
435 0.1049 0.00000
436 0.0340 0.00000
437 -0.0057 0.00000
438 0.0307 0.00000
439 0.0420 0.00000
440 0.0392 0.00000
441 0.0046 0.00000
442 0.1042 0.00000
443 -0.0059 0.00000
444 0.0598 0.00000
445 0.0373 0.00000
446 0.0594 0.00000
447 0.2990 0.00000
448 0.0437 0.00000
449 0.1020 0.00000
450 0.0104 0.00000
451 0.0365 0.00000
452 0.0877 0.00000
453 0.1688 0.00000
454 -0.0400 0.00000
455 0.0094 0.00000
456 0.0101 0.00000
457 0.0146 0.00000
458 0.0513 0.00000
459 0.0367 0.00000
460 0.1625 0.00000
461 0.0358 0.00000
462 0.0602 0.00000
463 0.1116 0.00000
464 0.1220 0.00000
465 0.1151 0.00000
466 0.0698 0.00000
467 0.0196 0.00000
468 0.0313 0.00000
469 -0.0045 0.00000
470 0.0784 0.00000
471 0.0129 0.00000
472 0.0642 0.00000
473 0.0509 0.00000
474 0.1424 0.00000
475 0.2755 0.00000
476 -0.0036 0.00000
477 -0.0508 0.00000
478 0.0267 0.00000
479 0.2394 0.00000
480 0.4660 0.00000
481 -0.0128 0.00000
482 0.3044 0.00000
483 0.0223 0.00000
484 0.2051 0.00000
485 -0.0334 0.00000
486 0.0216 0.00000
487 0.0273 0.00000
488 0.0380 0.00000
489 0.1419 0.00000
490 -0.0078 0.00000
491 -0.0620 0.00000
492 0.0803 0.00000
493 0.0655 0.00000
494 0.0534 0.00000
495 0.0242 0.00000
496 0.0886 0.00000
497 0.0418 0.00000
498 0.0600 0.00000
499 0.0088 0.00000
500 0.1598 0.00000
501 0.0819 0.00000
502 0.0079 0.00000
503 0.0475 0.00000
504 -0.0283 0.00000
505 0.0705 0.00000
506 -0.0207 0.00000
507 0.0470 0.00000
508 -0.0137 0.00000
509 0.1062 0.00000
510 0.0633 0.00000
511 0.0254 0.00000
512 -0.0424 0.00000
513 0.1074 0.00000
514 0.0151 0.00000
515 -0.0372 0.00000
516 -0.0600 0.00000
517 0.0152 0.00000
518 0.0365 0.00000
519 0.0653 0.00000
520 0.0429 0.00000
521 0.0221 0.00000
522 0.0042 0.00000
523 0.0226 0.00000
524 -0.0104 0.00000
525 0.0291 0.00000
526 0.0051 0.00000
527 -0.0956 0.00000
528 -0.0354 0.00000
529 0.0090 0.00000
530 -0.0196 0.00000
531 -0.0533 0.00000
532 -0.0590 0.00000
533 0.0182 0.00000
534 0.0124 0.00000
535 -0.0258 0.00000
536 0.0075 0.00000
537 -0.0139 0.00000
538 -0.2867 0.00000
539 -0.0591 0.00000
540 -0.0217 0.00000
541 0.0170 0.00000
542 0.0105 0.00000
543 0.0183 0.00000
544 -0.0398 0.00000
545 -0.0521 0.00000
546 -0.0436 0.00000
547 -0.0320 0.00000
548 -0.0125 0.00000
549 -0.0161 0.00000
550 -0.0156 0.00000
551 -0.0816 0.00000
552 -0.0553 0.00000
553 0.0191 0.00000
554 -0.0643 0.00000
555 -0.0126 0.00000
556 -0.0866 0.00000
557 -0.1796 0.00000
558 0.0361 0.00000
559 -0.0719 0.00000
560 -0.0058 0.00000
561 -0.1270 0.00000
562 -0.0208 0.00000
563 -0.0644 0.00000
564 -0.2139 0.00000
565 -0.0007 0.00000
566 0.0009 0.00000
567 -0.0321 0.00000
568 -0.1288 0.00000
569 0.0206 0.00000
570 0.0949 0.00000
571 -0.0994 0.00000
572 -0.1221 0.00000
573 -0.0889 0.00000
574 0.0376 0.00000
575 0.0155 0.00000
576 0.0657 0.00000
577 -0.0285 0.00000
578 0.0057 0.00000
579 -0.1677 0.00000
580 -0.1078 0.00000
581 -0.2098 0.00000
582 0.0403 0.00000
583 -0.0127 0.00000
584 -0.0188 0.00000
585 0.0283 0.00000
586 0.0155 0.00000
587 -0.0325 0.00000
588 -0.0156 0.00000
589 -0.0412 0.00000
590 -0.0029 0.00000
591 0.0145 0.00000
592 -0.0071 0.00000
593 -0.0009 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0796 0.00000
597 0.0896 0.00000
598 0.0237 0.00000
599 -0.0489 0.00000
600 0.0671 0.00000
601 -0.0000 0.00000
602 -0.0200 0.00000
603 0.0650 0.00000
604 0.0348 0.00000
605 -0.0256 0.00000
606 0.0758 0.00000
607 0.0302 0.00000
608 0.0373 0.00000
609 -0.0472 0.00000
610 0.0145 0.00000
611 0.0038 0.00000
612 -0.0743 0.00000
613 -0.0516 0.00000
614 0.0553 0.00000
615 0.0147 0.00000
616 0.0382 0.00000
617 -0.0579 0.00000
618 -0.0172 0.00000
619 -0.0705 0.00000
620 -0.0590 0.00000
621 -0.3149 0.00000
622 -0.0808 0.00000
623 -0.0148 0.00000
624 -0.0474 0.00000
625 -0.0029 0.00000
626 -0.0586 0.00000
627 -0.1436 0.00000
628 -0.0052 0.00000
629 0.0844 0.00000
630 0.0339 0.00000
631 0.0110 0.00000
632 -0.0337 0.00000
633 -0.0712 0.00000
634 -0.0697 0.00000
635 -0.0335 0.00000
636 -0.0279 0.00000
637 -0.0756 0.00000
638 -0.0515 0.00000
639 -0.0224 0.00000
640 -0.0173 0.00000
641 -0.0175 0.00000
642 -0.0393 0.00000
643 0.0841 0.00000
644 -0.0730 0.00000
645 0.0088 0.00000
646 -0.0195 0.00000
647 -0.0566 0.00000
648 -0.0304 0.00000
649 0.0361 0.00000
650 0.0002 0.00000
651 -0.0297 0.00000
652 -0.0172 0.00000
653 -0.0194 0.00000
654 -0.0600 0.00000
655 -0.1906 0.00000
656 -0.0019 0.00000
657 -0.0554 0.00000
658 -0.0202 0.00000
659 0.0113 0.00000
660 -0.0554 0.00000
661 0.0021 0.00000
662 0.0079 0.00000
663 -0.0381 0.00000
664 0.0008 0.00000
665 -0.0254 0.00000
666 -0.1210 0.00000
667 -0.0017 0.00000
668 0.0388 0.00000
669 -0.0631 0.00000
670 -0.0183 0.00000
671 0.0027 0.00000
672 -0.0157 0.00000
673 0.0012 0.00000
674 -0.0065 0.00000
675 -0.0188 0.00000
676 -0.0031 0.00000
677 0.0144 0.00000
678 -0.0380 0.00000
679 0.0056 0.00000
680 0.0008 0.00000
681 0.0020 0.00000
682 0.0055 0.00000
683 -0.0731 0.00000
684 0.0326 0.00000
685 -0.0262 0.00000
686 -0.0170 0.00000
687 -0.0649 0.00000
688 0.0234 0.00000
689 -0.0100 0.00000
690 -0.0452 0.00000
691 -0.0335 0.00000
692 0.0505 0.00000
693 -0.0433 0.00000
694 -0.0135 0.00000
695 0.0089 0.00000
696 0.0110 0.00000
697 0.0243 0.00000
698 0.0243 0.00000
699 -0.0240 0.00000
700 0.0374 0.00000
701 -0.0630 0.00000
702 0.0022 0.00000
703 0.0277 0.00000
704 -0.0133 0.00000
705 -0.0245 0.00000
706 0.0166 0.00000
707 0.0748 0.00000
708 -0.0032 0.00000
709 -0.0119 0.00000
710 0.0514 0.00000
711 -0.0768 0.00000
712 -0.1028 0.00000
713 0.0077 0.00000
714 -0.0379 0.00000
715 -0.0265 0.00000
716 0.0192 0.00000
717 -0.0263 0.00000
718 -0.0187 0.00000
719 -0.0278 0.00000
720 -0.0541 0.00000
721 -0.0113 0.00000
722 -0.0059 0.00000
723 -0.0047 0.00000
724 -0.0000 0.00000
725 -0.0015 0.00000
726 0.0273 0.00000
727 0.0041 0.00000
728 -0.0365 0.00000
729 -0.0239 0.00000
730 -0.0034 0.00000
731 -0.0033 0.00000
732 0.0149 0.00000
733 -0.0034 0.00000
734 -0.0165 0.00000
735 0.0356 0.00000
736 0.0265 0.00000
737 0.0349 0.00000
738 0.0780 0.00000
739 0.0673 0.00000
740 -0.0558 0.00000
741 0.0775 0.00000
742 -0.0229 0.00000
743 0.0308 0.00000
744 0.0299 0.00000
745 -0.1027 0.00000
746 -0.0278 0.00000
747 0.0197 0.00000
748 -0.0085 0.00000
749 -0.0341 0.00000
750 -0.0014 0.00000
751 0.0171 0.00000
752 0.0255 0.00000
753 -0.0104 0.00000
754 -0.0606 0.00000
755 0.0180 0.00000
756 0.0373 0.00000
757 0.0524 0.00000
758 0.0150 0.00000
759 0.0399 0.00000
760 -0.0143 0.00000
761 0.0335 0.00000
762 -0.0198 0.00000
763 0.0106 0.00000
764 0.0346 0.00000
765 -0.0279 0.00000
766 -0.0058 0.00000
767 0.0028 0.00000
768 -0.0017 0.00000
769 -0.0547 0.00000
770 0.0431 0.00000
771 -0.0736 0.00000
772 0.0055 0.00000
773 -0.0716 0.00000
774 -0.0717 0.00000
775 0.0021 0.00000
776 0.0011 0.00000
777 0.0064 0.00000
778 -0.0076 0.00000
779 -0.0334 0.00000
780 0.0165 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0495 0.00000
5 0.1035 0.00000
6 0.0840 0.00000
7 0.0224 0.00000
8 0.0396 0.00000
9 0.1765 0.00000
10 0.1215 0.00000
11 0.0769 0.00000
12 -0.0390 0.00000
13 -0.0143 0.00000
14 -0.0550 0.00000
15 0.2185 0.00000
16 1.4544 0.00000
17 0.1983 0.00000
18 0.1148 0.00000
19 -0.0301 0.00000
20 -0.1004 0.00000
21 0.0353 0.00000
22 -0.0454 0.00000
23 -0.0179 0.00000
24 0.3605 0.00000
25 0.2651 0.00000
26 -0.2279 0.00000
27 -0.0780 0.00000
28 0.1270 0.00000
29 -0.0306 0.00000
30 -0.0880 0.00000
31 0.6499 0.00000
32 0.2301 0.00000
33 0.0023 0.00000
34 0.0188 0.00000
35 0.0127 0.00000
36 0.9215 0.00000
37 0.1534 0.00000
38 0.0634 0.00000
39 0.0270 0.00000
40 0.7843 0.00000
41 0.0480 0.00000
42 0.1417 0.00000
43 -0.0013 0.00000
44 0.2168 0.00000
45 -0.0753 0.00000
46 -0.0846 0.00000
47 0.4871 0.00000
48 0.3260 0.00000
49 0.1557 0.00000
50 0.0231 0.00000
51 -0.0193 0.00000
52 0.0303 0.00000
53 -0.0225 0.00000
54 0.1217 0.00000
55 0.0484 0.00000
56 0.6398 0.00000
57 -0.0667 0.00000
58 0.1111 0.00000
59 0.2553 0.00000
60 0.0227 0.00000
61 -0.0188 0.00000
62 0.2796 0.00000
63 -0.0469 0.00000
64 0.9284 0.00000
65 0.0433 0.00000
66 0.0358 0.00000
67 0.1457 0.00000
68 0.0231 0.00000
69 0.0579 0.00000
70 -0.0319 0.00000
71 0.0404 0.00000
72 -0.0283 0.00000
73 0.0427 0.00000
74 0.0510 0.00000
75 0.0034 0.00000
76 -0.1059 0.00000
77 -0.0066 0.00000
78 0.0022 0.00000
79 -0.1182 0.00000
80 0.0045 0.00000
81 -0.1359 0.00000
82 -0.2011 0.00000
83 -0.0483 0.00000
84 0.0712 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1812 0.00000
89 0.0272 0.00000
90 0.0190 0.00000
91 -0.1118 0.00000
92 0.2026 0.00000
93 -0.1808 0.00000
94 0.0522 0.00000
95 -0.4694 0.00000
96 -0.4605 0.00000
97 -0.0399 0.00000
98 0.0307 0.00000
99 0.0721 0.00000
100 0.2521 0.00000
101 0.0659 0.00000
102 -0.0929 0.00000
103 0.0772 0.00000
104 -0.4156 0.00000
105 0.0412 0.00000
106 -0.0549 0.00000
107 0.1017 0.00000
108 0.0099 0.00000
109 0.1060 0.00000
110 0.1285 0.00000
111 0.0094 0.00000
112 0.1407 0.00000
113 -0.0521 0.00000
114 0.0931 0.00000
115 -0.0523 0.00000
116 0.0632 0.00000
117 0.0233 0.00000
118 -0.3475 0.00000
119 -0.0557 0.00000
120 -0.2370 0.00000
121 -0.2269 0.00000
122 -0.1110 0.00000
123 -0.0564 0.00000
124 -1.4408 0.00000
125 0.3087 0.00000
126 0.0175 0.00000
127 0.0218 0.00000
128 0.0892 0.00000
129 -0.5869 0.00000
130 -0.0638 0.00000
131 0.1251 0.00000
132 0.0101 0.00000
133 -0.0272 0.00000
134 0.0786 0.00000
135 0.0324 0.00000
136 -0.0711 0.00000
137 0.1843 0.00000
138 0.0310 0.00000
139 -0.0727 0.00000
140 -0.0298 0.00000
141 -0.1350 0.00000
142 0.0249 0.00000
143 -0.0788 0.00000
144 -0.0492 0.00000
145 -0.0184 0.00000
146 0.0019 0.00000
147 -0.0173 0.00000
148 0.0245 0.00000
149 0.1623 0.00000
150 0.0402 0.00000
151 0.1398 0.00000
152 0.1392 0.00000
153 0.0561 0.00000
154 0.0535 0.00000
155 -0.0175 0.00000
156 0.0071 0.00000
157 0.0035 0.00000
158 0.1065 0.00000
159 0.2174 0.00000
160 0.0742 0.00000
161 0.1630 0.00000
162 0.1257 0.00000
163 0.2440 0.00000
164 0.2541 0.00000
165 0.0511 0.00000
166 -0.0115 0.00000
167 0.2708 0.00000
168 0.0077 0.00000
169 -0.0223 0.00000
170 0.0375 0.00000
171 -0.0144 0.00000
172 0.0447 0.00000
173 0.0436 0.00000
174 0.1099 0.00000
175 -0.0104 0.00000
176 0.0452 0.00000
177 0.2924 0.00000
178 0.1190 0.00000
179 0.0118 0.00000
180 0.0406 0.00000
181 0.4335 0.00000
182 0.0047 0.00000
183 -0.0369 0.00000
184 -0.1260 0.00000
185 -0.1666 0.00000
186 0.1325 0.00000
187 0.2412 0.00000
188 0.1164 0.00000
189 0.0426 0.00000
190 -0.0011 0.00000
191 -0.0079 0.00000
192 0.1539 0.00000
193 0.0903 0.00000
194 0.0008 0.00000
195 -0.0935 0.00000
196 0.0299 0.00000
197 0.0391 0.00000
198 -0.1434 0.00000
199 0.0296 0.00000
200 0.0280 0.00000
201 -0.0128 0.00000
202 0.0913 0.00000
203 0.0973 0.00000
204 0.0592 0.00000
205 0.1384 0.00000
206 0.0295 0.00000
207 0.0695 0.00000
208 0.0358 0.00000
209 0.1776 0.00000
210 0.1891 0.00000
211 -0.0038 0.00000
212 0.0511 0.00000
213 0.0333 0.00000
214 0.0328 0.00000
215 0.2794 0.00000
216 0.1573 0.00000
217 0.3314 0.00000
218 0.1366 0.00000
219 0.0384 0.00000
220 0.0704 0.00000
221 0.1806 0.00000
222 -0.0042 0.00000
223 0.3419 0.00000
224 0.5364 0.00000
225 -0.0287 0.00000
226 0.0319 0.00000
227 -0.0079 0.00000
228 0.0292 0.00000
229 -0.0133 0.00000
230 -0.0418 0.00000
231 0.1209 0.00000
232 0.0240 0.00000
233 -0.0087 0.00000
234 -0.0758 0.00000
235 -0.1991 0.00000
236 -0.1064 0.00000
237 -0.1664 0.00000
238 -0.1286 0.00000
239 0.0239 0.00000
240 -0.0192 0.00000
241 -0.2559 0.00000
242 -0.0413 0.00000
243 0.1487 0.00000
244 -0.0181 0.00000
245 0.0077 0.00000
246 -0.0100 0.00000
247 0.0365 0.00000
248 0.0548 0.00000
249 -0.0387 0.00000
250 0.0284 0.00000
251 0.0312 0.00000
252 0.0375 0.00000
253 -0.1489 0.00000
254 0.0224 0.00000
255 -0.0230 0.00000
256 -0.0229 0.00000
257 0.0289 0.00000
258 -0.0027 0.00000
259 0.0011 0.00000
260 -0.0753 0.00000
261 -0.0378 0.00000
262 0.0926 0.00000
263 0.0373 0.00000
264 -0.0688 0.00000
265 -0.0243 0.00000
266 -0.0213 0.00000
267 -0.0184 0.00000
268 0.0007 0.00000
269 -0.0159 0.00000
270 0.0665 0.00000
271 -0.0042 0.00000
272 0.0752 0.00000
273 -0.0253 0.00000
274 0.0717 0.00000
275 -0.0223 0.00000
276 -0.0195 0.00000
277 0.0208 0.00000
278 -0.0936 0.00000
279 0.0263 0.00000
280 -0.0712 0.00000
281 0.0992 0.00000
282 0.0394 0.00000
283 -0.0232 0.00000
284 0.0323 0.00000
285 -0.0101 0.00000
286 -0.0261 0.00000
287 0.0269 0.00000
288 0.0760 0.00000
289 -0.0079 0.00000
290 0.0168 0.00000
291 -0.0274 0.00000
292 -0.0133 0.00000
293 0.1413 0.00000
294 -0.0108 0.00000
295 0.1479 0.00000
296 -0.0109 0.00000
297 0.0339 0.00000
298 0.0679 0.00000
299 -0.1504 0.00000
300 0.0034 0.00000
301 0.0504 0.00000
302 0.0319 0.00000
303 -0.1047 0.00000
304 0.1700 0.00000
305 -0.1277 0.00000
306 -0.0290 0.00000
307 0.0486 0.00000
308 -0.0631 0.00000
309 0.0128 0.00000
310 -0.0276 0.00000
311 -0.0931 0.00000
312 0.0854 0.00000
313 0.1077 0.00000
314 0.0243 0.00000
315 0.0287 0.00000
316 -0.0178 0.00000
317 -0.1054 0.00000
318 0.0336 0.00000
319 -0.0229 0.00000
320 0.0327 0.00000
321 -0.0297 0.00000
322 -0.0053 0.00000
323 0.0410 0.00000
324 0.0004 0.00000
325 0.0054 0.00000
326 -0.0350 0.00000
327 0.0017 0.00000
328 0.0641 0.00000
329 0.0535 0.00000
330 0.0338 0.00000
331 0.0560 0.00000
332 -0.0223 0.00000
333 -0.0755 0.00000
334 0.0002 0.00000
335 -0.0074 0.00000
336 0.0237 0.00000
337 0.0844 0.00000
338 -0.0350 0.00000
339 -0.0087 0.00000
340 0.0440 0.00000
341 0.0688 0.00000
342 -0.0433 0.00000
343 0.0525 0.00000
344 0.1333 0.00000
345 0.1140 0.00000
346 0.0337 0.00000
347 0.0216 0.00000
348 0.0106 0.00000
349 0.0290 0.00000
350 0.0579 0.00000
351 0.0174 0.00000
352 0.0496 0.00000
353 -0.0255 0.00000
354 0.0334 0.00000
355 0.0434 0.00000
356 0.0589 0.00000
357 0.0022 0.00000
358 0.0446 0.00000
359 -0.0755 0.00000
360 0.0143 0.00000
361 0.0135 0.00000
362 0.0289 0.00000
363 -0.0203 0.00000
364 0.0204 0.00000
365 0.0515 0.00000
366 0.0396 0.00000
367 0.0309 0.00000
368 0.1429 0.00000
369 0.0540 0.00000
370 -0.0092 0.00000
371 0.0164 0.00000
372 0.0308 0.00000
373 0.0305 0.00000
374 0.0190 0.00000
375 -0.0435 0.00000
376 0.0095 0.00000
377 0.0078 0.00000
378 0.0295 0.00000
379 0.0760 0.00000
380 0.0865 0.00000
381 0.0043 0.00000
382 -0.0253 0.00000
383 -0.0212 0.00000
384 0.0873 0.00000
385 0.0491 0.00000
386 -0.0026 0.00000
387 0.0198 0.00000
388 0.0301 0.00000
389 0.0234 0.00000
390 0.0210 0.00000
391 0.0264 0.00000
392 0.0165 0.00000
393 0.0156 0.00000
394 0.0534 0.00000
395 0.0924 0.00000
396 0.0486 0.00000
397 -0.0335 0.00000
398 -0.0160 0.00000
399 0.0337 0.00000
400 -0.0195 0.00000
401 0.0416 0.00000
402 0.0285 0.00000
403 -0.0108 0.00000
404 -0.0397 0.00000
405 0.0410 0.00000
406 0.1037 0.00000
407 0.0470 0.00000
408 -0.0499 0.00000
409 -0.0035 0.00000
410 0.0597 0.00000
411 0.0187 0.00000
412 -0.0023 0.00000
413 0.0250 0.00000
414 0.0121 0.00000
415 -0.0222 0.00000
416 -0.0515 0.00000
417 0.0480 0.00000
418 0.0279 0.00000
419 -0.0909 0.00000
420 0.0638 0.00000
421 0.0159 0.00000
422 0.0444 0.00000
423 0.0388 0.00000
424 0.0120 0.00000
425 0.0018 0.00000
426 0.0419 0.00000
427 0.0063 0.00000
428 0.2188 0.00000
429 0.0345 0.00000
430 0.0157 0.00000
431 0.0334 0.00000
432 0.0344 0.00000
433 0.0631 0.00000
434 0.0355 0.00000
435 0.0276 0.00000
436 0.0177 0.00000
437 -0.0178 0.00000
438 0.1239 0.00000
439 0.0039 0.00000
440 0.1474 0.00000
441 0.0598 0.00000
442 0.0063 0.00000
443 0.0384 0.00000
444 0.2182 0.00000
445 0.0115 0.00000
446 -0.0277 0.00000
447 0.0085 0.00000
448 0.0037 0.00000
449 0.0459 0.00000
450 0.0813 0.00000
451 0.0891 0.00000
452 0.0027 0.00000
453 0.0297 0.00000
454 0.0480 0.00000
455 -0.0024 0.00000
456 0.0076 0.00000
457 0.1710 0.00000
458 0.0011 0.00000
459 0.1448 0.00000
460 0.0202 0.00000
461 0.1161 0.00000
462 0.1428 0.00000
463 0.1769 0.00000
464 0.0514 0.00000
465 -0.0336 0.00000
466 0.0032 0.00000
467 0.1661 0.00000
468 0.0115 0.00000
469 0.1830 0.00000
470 0.1201 0.00000
471 0.0489 0.00000
472 0.0451 0.00000
473 0.1244 0.00000
474 0.0181 0.00000
475 0.0887 0.00000
476 0.1080 0.00000
477 0.2379 0.00000
478 0.0402 0.00000
479 -0.0189 0.00000
480 -0.0131 0.00000
481 0.3457 0.00000
482 0.0466 0.00000
483 0.1810 0.00000
484 -0.0074 0.00000
485 0.0032 0.00000
486 0.1442 0.00000
487 0.0097 0.00000
488 0.0264 0.00000
489 0.0248 0.00000
490 -0.0154 0.00000
491 0.4823 0.00000
492 0.1193 0.00000
493 0.0929 0.00000
494 0.0494 0.00000
495 0.0313 0.00000
496 0.0158 0.00000
497 0.0738 0.00000
498 -0.0487 0.00000
499 -0.0039 0.00000
500 0.0452 0.00000
501 0.0468 0.00000
502 0.0160 0.00000
503 0.0831 0.00000
504 -0.0483 0.00000
505 0.0015 0.00000
506 0.0626 0.00000
507 0.0342 0.00000
508 0.0201 0.00000
509 0.0607 0.00000
510 0.0276 0.00000
511 0.0365 0.00000
512 -0.0055 0.00000
513 0.1183 0.00000
514 0.0003 0.00000
515 -0.0089 0.00000
516 -0.0092 0.00000
517 0.0038 0.00000
518 0.0180 0.00000
519 0.0123 0.00000
520 0.0371 0.00000
521 0.0654 0.00000
522 -0.0512 0.00000
523 -0.0042 0.00000
524 0.0783 0.00000
525 0.0016 0.00000
526 -0.0824 0.00000
527 -0.0119 0.00000
528 0.0086 0.00000
529 0.0095 0.00000
530 -0.1207 0.00000
531 -0.0001 0.00000
532 -0.0725 0.00000
533 0.0150 0.00000
534 0.0654 0.00000
535 -0.0514 0.00000
536 -0.0435 0.00000
537 0.0063 0.00000
538 -0.1472 0.00000
539 -0.0194 0.00000
540 -0.0050 0.00000
541 -0.0095 0.00000
542 -0.0512 0.00000
543 -0.0930 0.00000
544 -0.0524 0.00000
545 -0.0064 0.00000
546 -0.0402 0.00000
547 -0.0648 0.00000
548 0.0068 0.00000
549 -0.0676 0.00000
550 0.0272 0.00000
551 0.0190 0.00000
552 -0.0490 0.00000
553 -0.0325 0.00000
554 -0.0466 0.00000
555 -0.0256 0.00000
556 -0.1590 0.00000
557 -0.2258 0.00000
558 -0.0710 0.00000
559 -0.0341 0.00000
560 -0.0106 0.00000
561 -0.0156 0.00000
562 -0.0341 0.00000
563 -0.0528 0.00000
564 -0.0157 0.00000
565 -0.0853 0.00000
566 0.0136 0.00000
567 -0.1269 0.00000
568 -0.0316 0.00000
569 -0.0071 0.00000
570 -0.0388 0.00000
571 -0.0221 0.00000
572 -0.0174 0.00000
573 -0.0225 0.00000
574 0.0167 0.00000
575 0.0310 0.00000
576 0.0520 0.00000
577 -0.1544 0.00000
578 -0.1543 0.00000
579 -0.1044 0.00000
580 -0.1587 0.00000
581 -0.0431 0.00000
582 0.0084 0.00000
583 0.0244 0.00000
584 -0.0720 0.00000
585 0.0106 0.00000
586 0.0374 0.00000
587 -0.0275 0.00000
588 -0.0181 0.00000
589 -0.0420 0.00000
590 -0.0138 0.00000
591 0.0240 0.00000
592 -0.0088 0.00000
593 -0.0007 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0793 0.00000
597 0.0890 0.00000
598 0.0423 0.00000
599 -0.0832 0.00000
600 0.0813 0.00000
601 0.0326 0.00000
602 0.0545 0.00000
603 -0.0134 0.00000
604 0.0035 0.00000
605 -0.0036 0.00000
606 -0.0091 0.00000
607 0.0720 0.00000
608 -0.0221 0.00000
609 0.0365 0.00000
610 0.0183 0.00000
611 0.0386 0.00000
612 -0.1318 0.00000
613 0.0388 0.00000
614 -0.0313 0.00000
615 0.0331 0.00000
616 -0.1021 0.00000
617 -0.0543 0.00000
618 -0.0719 0.00000
619 -0.0397 0.00000
620 -0.0816 0.00000
621 -0.0362 0.00000
622 -0.1752 0.00000
623 -0.0106 0.00000
624 -0.0415 0.00000
625 0.0136 0.00000
626 -0.0565 0.00000
627 -0.0160 0.00000
628 -0.1227 0.00000
629 -0.0087 0.00000
630 -0.0001 0.00000
631 0.0271 0.00000
632 -0.0161 0.00000
633 -0.0042 0.00000
634 -0.0520 0.00000
635 -0.0818 0.00000
636 -0.0399 0.00000
637 0.0075 0.00000
638 -0.0253 0.00000
639 -0.0162 0.00000
640 0.0797 0.00000
641 0.0226 0.00000
642 -0.2030 0.00000
643 -0.0495 0.00000
644 0.0651 0.00000
645 -0.0034 0.00000
646 -0.0538 0.00000
647 0.0136 0.00000
648 -0.0306 0.00000
649 -0.1063 0.00000
650 -0.0242 0.00000
651 -0.1451 0.00000
652 -0.0434 0.00000
653 -0.0674 0.00000
654 0.0056 0.00000
655 0.0027 0.00000
656 0.0367 0.00000
657 0.0510 0.00000
658 -0.0691 0.00000
659 0.0591 0.00000
660 -0.0077 0.00000
661 0.0019 0.00000
662 -0.0272 0.00000
663 -0.0150 0.00000
664 -0.0392 0.00000
665 -0.0962 0.00000
666 -0.0429 0.00000
667 -0.0012 0.00000
668 -0.0090 0.00000
669 -0.0155 0.00000
670 0.0048 0.00000
671 -0.0215 0.00000
672 0.0047 0.00000
673 -0.0397 0.00000
674 -0.0684 0.00000
675 -0.0311 0.00000
676 0.0092 0.00000
677 -0.0836 0.00000
678 -0.0149 0.00000
679 -0.0291 0.00000
680 -0.0240 0.00000
681 -0.0132 0.00000
682 -0.0230 0.00000
683 0.0620 0.00000
684 -0.0060 0.00000
685 -0.0558 0.00000
686 0.0087 0.00000
687 -0.0823 0.00000
688 0.0090 0.00000
689 0.0143 0.00000
690 -0.1130 0.00000
691 -0.0360 0.00000
692 0.0300 0.00000
693 0.0157 0.00000
694 0.0255 0.00000
695 -0.0621 0.00000
696 -0.0665 0.00000
697 0.0326 0.00000
698 -0.0632 0.00000
699 -0.0180 0.00000
700 0.0202 0.00000
701 0.0015 0.00000
702 -0.0246 0.00000
703 0.0101 0.00000
704 0.0317 0.00000
705 0.0331 0.00000
706 -0.0009 0.00000
707 0.0158 0.00000
708 -0.0119 0.00000
709 0.0334 0.00000
710 0.0193 0.00000
711 0.0424 0.00000
712 -0.0239 0.00000
713 0.0446 0.00000
714 -0.0143 0.00000
715 -0.1435 0.00000
716 -0.0087 0.00000
717 0.0653 0.00000
718 0.0038 0.00000
719 0.0169 0.00000
720 0.0141 0.00000
721 -0.1006 0.00000
722 0.0038 0.00000
723 0.0133 0.00000
724 0.0476 0.00000
725 -0.0258 0.00000
726 -0.0242 0.00000
727 -0.0044 0.00000
728 0.0425 0.00000
729 0.0595 0.00000
730 0.0666 0.00000
731 0.0257 0.00000
732 0.0334 0.00000
733 -0.0506 0.00000
734 0.0162 0.00000
735 -0.0086 0.00000
736 0.0234 0.00000
737 -0.0116 0.00000
738 0.0009 0.00000
739 0.0512 0.00000
740 -0.0448 0.00000
741 0.0000 0.00000
742 -0.0607 0.00000
743 -0.0252 0.00000
744 -0.0393 0.00000
745 0.0209 0.00000
746 0.0083 0.00000
747 0.0419 0.00000
748 -0.0614 0.00000
749 -0.0549 0.00000
750 0.0239 0.00000
751 0.0051 0.00000
752 0.0004 0.00000
753 0.0339 0.00000
754 0.0164 0.00000
755 -0.1274 0.00000
756 0.0956 0.00000
757 0.0838 0.00000
758 0.0006 0.00000
759 -0.0374 0.00000
760 -0.0027 0.00000
761 0.0265 0.00000
762 0.0290 0.00000
763 -0.0235 0.00000
764 -0.0396 0.00000
765 0.0108 0.00000
766 0.0088 0.00000
767 -0.0081 0.00000
768 0.0149 0.00000
769 0.0070 0.00000
770 -0.0277 0.00000
771 0.0285 0.00000
772 -0.0465 0.00000
773 -0.0089 0.00000
774 -0.0103 0.00000
775 -0.0011 0.00000
776 0.0140 0.00000
777 -0.0223 0.00000
778 -0.0267 0.00000
779 0.0028 0.00000
780 0.0041 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0506 0.00000
5 0.1022 0.00000
6 0.0840 0.00000
7 0.0229 0.00000
8 0.0395 0.00000
9 0.1751 0.00000
10 0.1243 0.00000
11 0.0776 0.00000
12 -0.0413 0.00000
13 -0.0145 0.00000
14 -0.0549 0.00000
15 0.2182 0.00000
16 1.5317 0.00000
17 0.0675 0.00000
18 0.1724 0.00000
19 -0.0156 0.00000
20 -0.1115 0.00000
21 0.0354 0.00000
22 -0.0369 0.00000
23 0.0226 0.00000
24 0.4060 0.00000
25 0.1146 0.00000
26 -0.1090 0.00000
27 -0.1683 0.00000
28 0.1035 0.00000
29 0.0955 0.00000
30 -0.1209 0.00000
31 0.6512 0.00000
32 0.2143 0.00000
33 0.0029 0.00000
34 0.0138 0.00000
35 0.0121 0.00000
36 0.8644 0.00000
37 0.1642 0.00000
38 0.0637 0.00000
39 0.0270 0.00000
40 0.8089 0.00000
41 0.0593 0.00000
42 0.1372 0.00000
43 -0.0017 0.00000
44 0.0037 0.00000
45 0.1428 0.00000
46 -0.0952 0.00000
47 0.4485 0.00000
48 0.3240 0.00000
49 0.1510 0.00000
50 0.0473 0.00000
51 -0.0121 0.00000
52 0.0349 0.00000
53 -0.0230 0.00000
54 0.0304 0.00000
55 0.1169 0.00000
56 0.6655 0.00000
57 -0.0683 0.00000
58 0.1009 0.00000
59 0.2307 0.00000
60 0.0418 0.00000
61 0.1631 0.00000
62 -0.0596 0.00000
63 0.3851 0.00000
64 0.7823 0.00000
65 0.0583 0.00000
66 -0.0434 0.00000
67 0.0740 0.00000
68 0.0699 0.00000
69 0.0353 0.00000
70 0.0317 0.00000
71 -0.0318 0.00000
72 -0.0281 0.00000
73 0.0528 0.00000
74 0.0489 0.00000
75 -0.0022 0.00000
76 -0.1072 0.00000
77 -0.0035 0.00000
78 0.0035 0.00000
79 -0.1172 0.00000
80 0.0045 0.00000
81 -0.1359 0.00000
82 -0.2014 0.00000
83 -0.0483 0.00000
84 0.0713 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1811 0.00000
89 0.0348 0.00000
90 0.0047 0.00000
91 0.0326 0.00000
92 0.0385 0.00000
93 -0.2035 0.00000
94 0.0419 0.00000
95 -0.3016 0.00000
96 -0.5529 0.00000
97 -0.0348 0.00000
98 0.0131 0.00000
99 0.1336 0.00000
100 0.1377 0.00000
101 0.0888 0.00000
102 -0.0112 0.00000
103 0.0117 0.00000
104 -0.3722 0.00000
105 0.0283 0.00000
106 -0.0668 0.00000
107 0.1589 0.00000
108 0.0457 0.00000
109 0.0336 0.00000
110 0.0906 0.00000
111 0.0433 0.00000
112 -0.0094 0.00000
113 -0.0230 0.00000
114 0.0928 0.00000
115 0.0495 0.00000
116 0.0617 0.00000
117 0.0442 0.00000
118 -0.3971 0.00000
119 -0.3726 0.00000
120 -0.0036 0.00000
121 -0.0956 0.00000
122 -0.0986 0.00000
123 -0.0337 0.00000
124 -1.4745 0.00000
125 0.2780 0.00000
126 0.0368 0.00000
127 0.0233 0.00000
128 0.0892 0.00000
129 -0.6758 0.00000
130 -0.0119 0.00000
131 0.1147 0.00000
132 0.0174 0.00000
133 0.0049 0.00000
134 0.0764 0.00000
135 0.0307 0.00000
136 -0.1278 0.00000
137 0.2773 0.00000
138 -0.0002 0.00000
139 -0.0749 0.00000
140 -0.0361 0.00000
141 -0.1357 0.00000
142 0.0244 0.00000
143 -0.0772 0.00000
144 -0.0483 0.00000
145 -0.0199 0.00000
146 0.0027 0.00000
147 -0.0171 0.00000
148 0.0422 0.00000
149 0.1503 0.00000
150 0.0099 0.00000
151 0.2778 0.00000
152 -0.0774 0.00000
153 0.1118 0.00000
154 0.0215 0.00000
155 0.0437 0.00000
156 0.1264 0.00000
157 0.0049 0.00000
158 0.0040 0.00000
159 0.3640 0.00000
160 0.0270 0.00000
161 0.0941 0.00000
162 0.2669 0.00000
163 0.1140 0.00000
164 0.0782 0.00000
165 0.0375 0.00000
166 0.1135 0.00000
167 0.0295 0.00000
168 0.0272 0.00000
169 0.0343 0.00000
170 0.2416 0.00000
171 -0.0496 0.00000
172 0.1434 0.00000
173 0.0656 0.00000
174 0.0813 0.00000
175 0.0716 0.00000
176 0.0211 0.00000
177 0.2518 0.00000
178 0.0872 0.00000
179 -0.0117 0.00000
180 0.2023 0.00000
181 -0.0967 0.00000
182 0.1401 0.00000
183 0.1505 0.00000
184 -0.0642 0.00000
185 -0.1391 0.00000
186 0.0245 0.00000
187 0.0212 0.00000
188 0.1985 0.00000
189 0.0108 0.00000
190 0.2453 0.00000
191 -0.0033 0.00000
192 0.1432 0.00000
193 0.0596 0.00000
194 -0.0707 0.00000
195 0.0023 0.00000
196 0.0274 0.00000
197 0.0352 0.00000
198 -0.1086 0.00000
199 -0.0226 0.00000
200 0.0327 0.00000
201 0.0459 0.00000
202 0.0027 0.00000
203 0.1237 0.00000
204 0.0541 0.00000
205 0.1052 0.00000
206 0.0804 0.00000
207 0.0831 0.00000
208 0.0470 0.00000
209 0.0964 0.00000
210 0.1169 0.00000
211 0.0988 0.00000
212 0.0315 0.00000
213 0.0428 0.00000
214 0.0177 0.00000
215 0.2550 0.00000
216 0.2279 0.00000
217 0.1718 0.00000
218 0.1562 0.00000
219 0.0917 0.00000
220 0.1519 0.00000
221 0.1592 0.00000
222 0.0951 0.00000
223 0.1204 0.00000
224 0.7000 0.00000
225 -0.0406 0.00000
226 0.0092 0.00000
227 -0.0022 0.00000
228 0.0309 0.00000
229 -0.0077 0.00000
230 -0.0577 0.00000
231 0.1207 0.00000
232 0.0313 0.00000
233 -0.0127 0.00000
234 -0.0618 0.00000
235 -0.1963 0.00000
236 -0.0004 0.00000
237 -0.0941 0.00000
238 -0.5246 0.00000
239 -0.0000 0.00000
240 0.0705 0.00000
241 -0.0625 0.00000
242 0.0044 0.00000
243 -0.0630 0.00000
244 0.0593 0.00000
245 -0.0122 0.00000
246 0.0348 0.00000
247 0.0259 0.00000
248 0.0470 0.00000
249 -0.0296 0.00000
250 0.0490 0.00000
251 0.0042 0.00000
252 0.0577 0.00000
253 -0.0745 0.00000
254 0.0165 0.00000
255 -0.0378 0.00000
256 -0.0130 0.00000
257 -0.0019 0.00000
258 -0.0107 0.00000
259 -0.0460 0.00000
260 -0.1372 0.00000
261 -0.0088 0.00000
262 -0.0280 0.00000
263 0.1678 0.00000
264 -0.0193 0.00000
265 -0.0225 0.00000
266 -0.0274 0.00000
267 -0.0332 0.00000
268 0.0207 0.00000
269 -0.0092 0.00000
270 -0.0245 0.00000
271 0.0866 0.00000
272 0.0756 0.00000
273 0.0247 0.00000
274 0.0222 0.00000
275 -0.0329 0.00000
276 -0.0152 0.00000
277 -0.0062 0.00000
278 -0.0643 0.00000
279 0.0388 0.00000
280 -0.0206 0.00000
281 0.0409 0.00000
282 0.0187 0.00000
283 0.0738 0.00000
284 -0.0650 0.00000
285 0.0171 0.00000
286 -0.0044 0.00000
287 -0.0061 0.00000
288 -0.0283 0.00000
289 0.0410 0.00000
290 0.0551 0.00000
291 0.0113 0.00000
292 0.0408 0.00000
293 0.0765 0.00000
294 0.1465 0.00000
295 0.0443 0.00000
296 0.0115 0.00000
297 -0.0365 0.00000
298 0.0196 0.00000
299 0.0706 0.00000
300 -0.1859 0.00000
301 0.0253 0.00000
302 -0.1030 0.00000
303 0.0397 0.00000
304 0.1565 0.00000
305 -0.0961 0.00000
306 0.0374 0.00000
307 0.0192 0.00000
308 -0.0431 0.00000
309 -0.1845 0.00000
310 0.1067 0.00000
311 -0.0655 0.00000
312 -0.0012 0.00000
313 0.0896 0.00000
314 -0.0199 0.00000
315 -0.0428 0.00000
316 0.0633 0.00000
317 0.0476 0.00000
318 -0.0122 0.00000
319 -0.0043 0.00000
320 -0.0341 0.00000
321 0.0410 0.00000
322 -0.0577 0.00000
323 0.0520 0.00000
324 -0.0128 0.00000
325 0.0074 0.00000
326 0.0083 0.00000
327 0.0369 0.00000
328 0.0731 0.00000
329 0.0092 0.00000
330 0.0562 0.00000
331 -0.0042 0.00000
332 -0.0188 0.00000
333 0.0163 0.00000
334 0.0433 0.00000
335 -0.0271 0.00000
336 0.0184 0.00000
337 -0.0193 0.00000
338 -0.0040 0.00000
339 0.0234 0.00000
340 0.0159 0.00000
341 0.0237 0.00000
342 0.0688 0.00000
343 0.0363 0.00000
344 0.0422 0.00000
345 0.0946 0.00000
346 0.0396 0.00000
347 0.0071 0.00000
348 -0.0033 0.00000
349 0.0808 0.00000
350 0.0127 0.00000
351 0.0422 0.00000
352 0.0912 0.00000
353 0.0502 0.00000
354 0.0066 0.00000
355 -0.0379 0.00000
356 0.0023 0.00000
357 0.0354 0.00000
358 0.0442 0.00000
359 -0.0305 0.00000
360 0.0162 0.00000
361 0.0579 0.00000
362 -0.0462 0.00000
363 -0.0091 0.00000
364 0.0101 0.00000
365 0.0400 0.00000
366 0.0456 0.00000
367 -0.0023 0.00000
368 0.0145 0.00000
369 0.1980 0.00000
370 0.0025 0.00000
371 -0.0063 0.00000
372 0.1075 0.00000
373 0.0481 0.00000
374 0.0570 0.00000
375 0.0815 0.00000
376 -0.0255 0.00000
377 0.0295 0.00000
378 0.0175 0.00000
379 0.0005 0.00000
380 -0.0709 0.00000
381 0.0030 0.00000
382 0.0051 0.00000
383 -0.0236 0.00000
384 0.0003 0.00000
385 0.0381 0.00000
386 0.0748 0.00000
387 0.0566 0.00000
388 -0.0025 0.00000
389 -0.0160 0.00000
390 0.0991 0.00000
391 0.0050 0.00000
392 0.0109 0.00000
393 0.0902 0.00000
394 0.0500 0.00000
395 0.0000 0.00000
396 0.0257 0.00000
397 -0.0164 0.00000
398 0.0390 0.00000
399 0.0397 0.00000
400 0.0420 0.00000
401 0.0548 0.00000
402 0.0171 0.00000
403 -0.0144 0.00000
404 0.0563 0.00000
405 0.0278 0.00000
406 -0.0286 0.00000
407 -0.0790 0.00000
408 -0.0110 0.00000
409 0.0546 0.00000
410 0.0407 0.00000
411 -0.0211 0.00000
412 0.0507 0.00000
413 0.0476 0.00000
414 -0.0074 0.00000
415 0.0149 0.00000
416 -0.0150 0.00000
417 0.0819 0.00000
418 -0.0324 0.00000
419 -0.0760 0.00000
420 0.0563 0.00000
421 0.1060 0.00000
422 0.0228 0.00000
423 0.0231 0.00000
424 0.0098 0.00000
425 0.0244 0.00000
426 0.0425 0.00000
427 0.0359 0.00000
428 0.0227 0.00000
429 0.1216 0.00000
430 -0.0413 0.00000
431 0.1489 0.00000
432 -0.0220 0.00000
433 0.0070 0.00000
434 0.0512 0.00000
435 -0.0257 0.00000
436 0.0305 0.00000
437 0.1098 0.00000
438 -0.0124 0.00000
439 0.0418 0.00000
440 0.0280 0.00000
441 -0.1286 0.00000
442 0.1938 0.00000
443 0.0016 0.00000
444 0.1310 0.00000
445 0.1331 0.00000
446 0.0392 0.00000
447 0.0340 0.00000
448 0.0593 0.00000
449 0.0310 0.00000
450 0.0616 0.00000
451 0.1394 0.00000
452 0.1647 0.00000
453 0.0583 0.00000
454 0.0901 0.00000
455 0.0478 0.00000
456 -0.0504 0.00000
457 0.0639 0.00000
458 0.1007 0.00000
459 0.0351 0.00000
460 0.0251 0.00000
461 0.0581 0.00000
462 0.1453 0.00000
463 0.0949 0.00000
464 0.0729 0.00000
465 0.1346 0.00000
466 0.0293 0.00000
467 0.0786 0.00000
468 -0.0079 0.00000
469 0.0223 0.00000
470 0.0512 0.00000
471 0.0814 0.00000
472 0.0332 0.00000
473 0.2207 0.00000
474 0.0041 0.00000
475 0.1130 0.00000
476 0.1878 0.00000
477 -0.0045 0.00000
478 0.1147 0.00000
479 0.0175 0.00000
480 0.2004 0.00000
481 0.1658 0.00000
482 0.0890 0.00000
483 -0.0018 0.00000
484 0.3013 0.00000
485 0.0389 0.00000
486 0.0203 0.00000
487 0.0166 0.00000
488 0.1524 0.00000
489 0.0449 0.00000
490 0.0310 0.00000
491 0.0220 0.00000
492 0.2155 0.00000
493 0.0262 0.00000
494 0.0445 0.00000
495 0.0329 0.00000
496 0.0408 0.00000
497 0.0862 0.00000
498 0.0926 0.00000
499 0.0884 0.00000
500 0.1104 0.00000
501 -0.0027 0.00000
502 -0.0240 0.00000
503 0.0613 0.00000
504 0.0575 0.00000
505 -0.0184 0.00000
506 -0.0074 0.00000
507 0.0532 0.00000
508 0.0295 0.00000
509 0.0133 0.00000
510 0.0861 0.00000
511 -0.0560 0.00000
512 0.0154 0.00000
513 -0.0474 0.00000
514 0.0447 0.00000
515 0.0203 0.00000
516 -0.0134 0.00000
517 0.0533 0.00000
518 0.0060 0.00000
519 0.0899 0.00000
520 -0.0602 0.00000
521 0.0085 0.00000
522 0.0392 0.00000
523 -0.0216 0.00000
524 -0.0121 0.00000
525 -0.0080 0.00000
526 0.0034 0.00000
527 -0.0144 0.00000
528 -0.0153 0.00000
529 -0.0002 0.00000
530 -0.0342 0.00000
531 0.0047 0.00000
532 -0.0417 0.00000
533 0.0068 0.00000
534 -0.0724 0.00000
535 0.0994 0.00000
536 -0.0142 0.00000
537 -0.1197 0.00000
538 -0.0920 0.00000
539 -0.0491 0.00000
540 0.0280 0.00000
541 -0.1390 0.00000
542 0.0429 0.00000
543 -0.0112 0.00000
544 -0.0310 0.00000
545 -0.0662 0.00000
546 -0.0336 0.00000
547 -0.0110 0.00000
548 0.0020 0.00000
549 0.0020 0.00000
550 0.0289 0.00000
551 0.0039 0.00000
552 -0.0669 0.00000
553 -0.1014 0.00000
554 -0.1365 0.00000
555 -0.0198 0.00000
556 -0.0193 0.00000
557 -0.2677 0.00000
558 -0.1119 0.00000
559 0.0263 0.00000
560 -0.0696 0.00000
561 0.0243 0.00000
562 -0.0179 0.00000
563 -0.0632 0.00000
564 -0.0824 0.00000
565 -0.1445 0.00000
566 -0.0348 0.00000
567 0.0102 0.00000
568 -0.0964 0.00000
569 -0.0251 0.00000
570 -0.0407 0.00000
571 -0.0232 0.00000
572 -0.0347 0.00000
573 -0.0705 0.00000
574 -0.0035 0.00000
575 -0.0057 0.00000
576 0.1414 0.00000
577 -0.0964 0.00000
578 -0.0237 0.00000
579 -0.2015 0.00000
580 -0.0549 0.00000
581 -0.1086 0.00000
582 0.0496 0.00000
583 -0.0621 0.00000
584 -0.0452 0.00000
585 0.0147 0.00000
586 0.0257 0.00000
587 -0.0358 0.00000
588 -0.0156 0.00000
589 -0.0416 0.00000
590 -0.0028 0.00000
591 0.0134 0.00000
592 -0.0087 0.00000
593 -0.0006 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0796 0.00000
597 0.0896 0.00000
598 0.0243 0.00000
599 -0.0610 0.00000
600 0.0734 0.00000
601 0.0287 0.00000
602 -0.0488 0.00000
603 0.0547 0.00000
604 0.0018 0.00000
605 0.0241 0.00000
606 0.0733 0.00000
607 0.0310 0.00000
608 0.1081 0.00000
609 -0.0296 0.00000
610 -0.0636 0.00000
611 -0.0019 0.00000
612 -0.0886 0.00000
613 0.0409 0.00000
614 -0.0670 0.00000
615 0.0559 0.00000
616 -0.0391 0.00000
617 -0.0770 0.00000
618 -0.1028 0.00000
619 -0.0407 0.00000
620 -0.0163 0.00000
621 -0.0619 0.00000
622 -0.0177 0.00000
623 -0.0180 0.00000
624 0.0384 0.00000
625 -0.3091 0.00000
626 -0.0240 0.00000
627 0.0508 0.00000
628 -0.1551 0.00000
629 0.0135 0.00000
630 -0.0858 0.00000
631 0.0295 0.00000
632 -0.0126 0.00000
633 -0.0162 0.00000
634 -0.1220 0.00000
635 -0.0341 0.00000
636 0.0011 0.00000
637 -0.0332 0.00000
638 0.0114 0.00000
639 -0.0248 0.00000
640 -0.0474 0.00000
641 -0.0599 0.00000
642 -0.0225 0.00000
643 0.0068 0.00000
644 -0.0336 0.00000
645 -0.0171 0.00000
646 -0.0414 0.00000
647 0.0273 0.00000
648 -0.0630 0.00000
649 -0.0453 0.00000
650 0.0113 0.00000
651 0.0135 0.00000
652 -0.0307 0.00000
653 -0.0973 0.00000
654 -0.0123 0.00000
655 -0.0751 0.00000
656 -0.0145 0.00000
657 -0.0351 0.00000
658 -0.0639 0.00000
659 0.0515 0.00000
660 -0.0064 0.00000
661 0.0046 0.00000
662 0.0164 0.00000
663 -0.1797 0.00000
664 -0.0549 0.00000
665 -0.0117 0.00000
666 -0.0436 0.00000
667 0.0131 0.00000
668 0.0056 0.00000
669 -0.0390 0.00000
670 0.0173 0.00000
671 -0.0067 0.00000
672 0.0012 0.00000
673 0.0033 0.00000
674 -0.0306 0.00000
675 0.0056 0.00000
676 0.0562 0.00000
677 0.0330 0.00000
678 -0.0125 0.00000
679 0.0222 0.00000
680 0.0330 0.00000
681 -0.0028 0.00000
682 0.0385 0.00000
683 -0.0781 0.00000
684 0.0001 0.00000
685 -0.0273 0.00000
686 -0.1273 0.00000
687 -0.0017 0.00000
688 -0.0350 0.00000
689 -0.0603 0.00000
690 0.0095 0.00000
691 -0.0432 0.00000
692 0.0278 0.00000
693 -0.0767 0.00000
694 -0.0358 0.00000
695 0.0028 0.00000
696 0.0095 0.00000
697 0.0172 0.00000
698 0.0477 0.00000
699 -0.0124 0.00000
700 0.0057 0.00000
701 -0.0287 0.00000
702 -0.0086 0.00000
703 0.0024 0.00000
704 -0.0085 0.00000
705 -0.0593 0.00000
706 0.0360 0.00000
707 0.0277 0.00000
708 0.0204 0.00000
709 -0.0119 0.00000
710 0.0848 0.00000
711 -0.0325 0.00000
712 -0.0616 0.00000
713 0.0061 0.00000
714 -0.0537 0.00000
715 -0.0306 0.00000
716 0.0425 0.00000
717 -0.0555 0.00000
718 0.0034 0.00000
719 -0.0298 0.00000
720 0.0362 0.00000
721 -0.0074 0.00000
722 -0.1131 0.00000
723 0.0044 0.00000
724 0.0262 0.00000
725 -0.0240 0.00000
726 -0.0045 0.00000
727 0.0165 0.00000
728 -0.0465 0.00000
729 0.0151 0.00000
730 0.0395 0.00000
731 -0.0162 0.00000
732 0.0139 0.00000
733 0.0291 0.00000
734 0.0161 0.00000
735 0.0162 0.00000
736 0.0236 0.00000
737 0.0331 0.00000
738 0.0127 0.00000
739 0.0080 0.00000
740 -0.0669 0.00000
741 0.0399 0.00000
742 -0.0040 0.00000
743 -0.0175 0.00000
744 -0.0094 0.00000
745 0.0280 0.00000
746 0.0387 0.00000
747 0.0342 0.00000
748 -0.0293 0.00000
749 -0.0266 0.00000
750 0.0100 0.00000
751 0.0379 0.00000
752 -0.0046 0.00000
753 -0.0540 0.00000
754 -0.0370 0.00000
755 0.0114 0.00000
756 -0.0376 0.00000
757 0.0265 0.00000
758 0.0650 0.00000
759 0.0230 0.00000
760 0.0269 0.00000
761 -0.0288 0.00000
762 -0.0609 0.00000
763 0.0440 0.00000
764 -0.0116 0.00000
765 0.0227 0.00000
766 -0.0266 0.00000
767 -0.0177 0.00000
768 0.0479 0.00000
769 0.0134 0.00000
770 -0.0430 0.00000
771 -0.0106 0.00000
772 -0.0332 0.00000
773 -0.0082 0.00000
774 0.0078 0.00000
775 0.0186 0.00000
776 -0.0418 0.00000
777 -0.0312 0.00000
778 -0.0157 0.00000
779 0.0225 0.00000
780 0.0087 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0487 0.00000
5 0.1045 0.00000
6 0.0835 0.00000
7 0.0229 0.00000
8 0.0397 0.00000
9 0.1764 0.00000
10 0.1233 0.00000
11 0.0769 0.00000
12 -0.0420 0.00000
13 -0.0145 0.00000
14 -0.0548 0.00000
15 0.2185 0.00000
16 1.4190 0.00000
17 0.0302 0.00000
18 0.2944 0.00000
19 0.0135 0.00000
20 -0.1331 0.00000
21 0.0353 0.00000
22 -0.0471 0.00000
23 0.0107 0.00000
24 0.4517 0.00000
25 0.1426 0.00000
26 -0.1545 0.00000
27 -0.1407 0.00000
28 0.2060 0.00000
29 -0.0287 0.00000
30 -0.1447 0.00000
31 0.6537 0.00000
32 0.2602 0.00000
33 -0.0037 0.00000
34 0.0195 0.00000
35 0.0129 0.00000
36 0.7504 0.00000
37 0.3416 0.00000
38 0.0723 0.00000
39 0.6366 0.00000
40 0.0274 0.00000
41 0.0483 0.00000
42 0.0752 0.00000
43 -0.0015 0.00000
44 -0.0961 0.00000
45 0.3178 0.00000
46 0.4827 0.00000
47 -0.0013 0.00000
48 0.2009 0.00000
49 0.0337 0.00000
50 0.1938 0.00000
51 -0.0150 0.00000
52 0.0684 0.00000
53 -0.0229 0.00000
54 0.1458 0.00000
55 0.0518 0.00000
56 0.5930 0.00000
57 -0.0745 0.00000
58 0.1159 0.00000
59 0.0384 0.00000
60 0.2699 0.00000
61 -0.0366 0.00000
62 0.1024 0.00000
63 0.0112 0.00000
64 1.1067 0.00000
65 0.0716 0.00000
66 -0.0574 0.00000
67 0.1145 0.00000
68 0.0873 0.00000
69 0.0569 0.00000
70 -0.0321 0.00000
71 0.0418 0.00000
72 -0.0283 0.00000
73 0.0431 0.00000
74 0.0535 0.00000
75 0.0023 0.00000
76 -0.1111 0.00000
77 -0.0047 0.00000
78 0.0098 0.00000
79 -0.1237 0.00000
80 0.0043 0.00000
81 -0.1360 0.00000
82 -0.2012 0.00000
83 -0.0483 0.00000
84 0.0712 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1811 0.00000
89 0.0278 0.00000
90 0.0096 0.00000
91 0.0429 0.00000
92 0.0566 0.00000
93 -0.1752 0.00000
94 0.0634 0.00000
95 -0.3921 0.00000
96 -0.5655 0.00000
97 -0.0630 0.00000
98 0.0554 0.00000
99 0.1146 0.00000
100 0.1227 0.00000
101 0.1505 0.00000
102 -0.0409 0.00000
103 0.0744 0.00000
104 -0.4240 0.00000
105 0.0787 0.00000
106 -0.1014 0.00000
107 0.0522 0.00000
108 0.1232 0.00000
109 0.0134 0.00000
110 0.0553 0.00000
111 0.0760 0.00000
112 0.1037 0.00000
113 -0.0142 0.00000
114 -0.0195 0.00000
115 0.1249 0.00000
116 0.0551 0.00000
117 -0.0729 0.00000
118 -0.2966 0.00000
119 -0.1523 0.00000
120 -0.2204 0.00000
121 -0.0978 0.00000
122 -0.1003 0.00000
123 -0.3070 0.00000
124 -1.0438 0.00000
125 0.1185 0.00000
126 0.0277 0.00000
127 -0.0078 0.00000
128 0.1060 0.00000
129 -0.6507 0.00000
130 -0.0135 0.00000
131 0.1286 0.00000
132 0.0315 0.00000
133 -0.0494 0.00000
134 0.0795 0.00000
135 0.0301 0.00000
136 -0.1289 0.00000
137 0.2638 0.00000
138 0.0029 0.00000
139 -0.0584 0.00000
140 -0.0345 0.00000
141 -0.1322 0.00000
142 0.0249 0.00000
143 -0.0807 0.00000
144 -0.0528 0.00000
145 -0.0169 0.00000
146 0.0021 0.00000
147 -0.0174 0.00000
148 0.0316 0.00000
149 0.1650 0.00000
150 0.0112 0.00000
151 0.1772 0.00000
152 -0.0316 0.00000
153 0.1652 0.00000
154 0.0828 0.00000
155 0.0163 0.00000
156 0.0756 0.00000
157 -0.0122 0.00000
158 0.2381 0.00000
159 0.0037 0.00000
160 0.2062 0.00000
161 0.3469 0.00000
162 -0.0108 0.00000
163 0.0392 0.00000
164 0.0487 0.00000
165 0.1938 0.00000
166 -0.0537 0.00000
167 0.2897 0.00000
168 0.0549 0.00000
169 -0.0019 0.00000
170 -0.0449 0.00000
171 0.0284 0.00000
172 0.0299 0.00000
173 0.0407 0.00000
174 0.1746 0.00000
175 0.1615 0.00000
176 0.4664 0.00000
177 -0.0281 0.00000
178 0.0181 0.00000
179 0.0513 0.00000
180 0.0785 0.00000
181 -0.0277 0.00000
182 0.0284 0.00000
183 -0.1032 0.00000
184 0.1246 0.00000
185 -0.1022 0.00000
186 0.1168 0.00000
187 0.0420 0.00000
188 0.1038 0.00000
189 0.1221 0.00000
190 0.2382 0.00000
191 0.0021 0.00000
192 0.0769 0.00000
193 -0.0213 0.00000
194 -0.0895 0.00000
195 0.1516 0.00000
196 -0.0427 0.00000
197 0.0311 0.00000
198 -0.1242 0.00000
199 0.0364 0.00000
200 0.0449 0.00000
201 0.0090 0.00000
202 0.0506 0.00000
203 0.0285 0.00000
204 0.1701 0.00000
205 0.0574 0.00000
206 0.0621 0.00000
207 0.0070 0.00000
208 0.1120 0.00000
209 0.1077 0.00000
210 0.1122 0.00000
211 0.1644 0.00000
212 0.0200 0.00000
213 0.0616 0.00000
214 -0.0054 0.00000
215 0.5979 0.00000
216 -0.0731 0.00000
217 -0.0034 0.00000
218 0.0100 0.00000
219 0.3103 0.00000
220 0.2978 0.00000
221 0.1006 0.00000
222 0.0057 0.00000
223 0.1768 0.00000
224 0.5819 0.00000
225 0.0010 0.00000
226 0.0537 0.00000
227 -0.0030 0.00000
228 0.0260 0.00000
229 -0.0138 0.00000
230 -0.0439 0.00000
231 0.1205 0.00000
232 0.0171 0.00000
233 -0.0003 0.00000
234 -0.0712 0.00000
235 -0.2668 0.00000
236 -0.0014 0.00000
237 -0.1600 0.00000
238 -0.1910 0.00000
239 0.0499 0.00000
240 -0.0780 0.00000
241 -0.2326 0.00000
242 0.0879 0.00000
243 0.0241 0.00000
244 -0.0177 0.00000
245 -0.0024 0.00000
246 -0.0226 0.00000
247 0.0449 0.00000
248 0.0694 0.00000
249 -0.0086 0.00000
250 -0.0263 0.00000
251 0.0425 0.00000
252 0.0310 0.00000
253 -0.0001 0.00000
254 0.0045 0.00000
255 -0.1119 0.00000
256 0.0118 0.00000
257 0.0110 0.00000
258 -0.0189 0.00000
259 -0.0254 0.00000
260 -0.1129 0.00000
261 0.1459 0.00000
262 0.0160 0.00000
263 -0.0449 0.00000
264 -0.0154 0.00000
265 -0.0451 0.00000
266 -0.0181 0.00000
267 -0.0277 0.00000
268 -0.0065 0.00000
269 0.0416 0.00000
270 0.0015 0.00000
271 -0.0272 0.00000
272 0.1114 0.00000
273 0.0032 0.00000
274 0.0564 0.00000
275 -0.0273 0.00000
276 0.0226 0.00000
277 -0.0674 0.00000
278 -0.0959 0.00000
279 0.0372 0.00000
280 -0.0087 0.00000
281 0.0339 0.00000
282 0.0728 0.00000
283 -0.0103 0.00000
284 -0.0108 0.00000
285 0.0286 0.00000
286 -0.0310 0.00000
287 0.0200 0.00000
288 -0.0238 0.00000
289 0.1228 0.00000
290 -0.0643 0.00000
291 0.0425 0.00000
292 0.0022 0.00000
293 0.1679 0.00000
294 0.0181 0.00000
295 0.0040 0.00000
296 0.1453 0.00000
297 -0.1170 0.00000
298 -0.0614 0.00000
299 0.1351 0.00000
300 0.0164 0.00000
301 0.0427 0.00000
302 -0.1036 0.00000
303 -0.0018 0.00000
304 -0.0218 0.00000
305 0.0113 0.00000
306 -0.0903 0.00000
307 -0.0688 0.00000
308 0.1082 0.00000
309 0.0109 0.00000
310 0.0169 0.00000
311 0.0085 0.00000
312 -0.0091 0.00000
313 0.0293 0.00000
314 -0.0530 0.00000
315 0.0330 0.00000
316 -0.0394 0.00000
317 0.0709 0.00000
318 0.0132 0.00000
319 0.0192 0.00000
320 -0.0090 0.00000
321 0.0194 0.00000
322 -0.0409 0.00000
323 0.0176 0.00000
324 -0.0515 0.00000
325 0.0436 0.00000
326 0.0455 0.00000
327 0.0220 0.00000
328 0.0183 0.00000
329 0.0758 0.00000
330 -0.0760 0.00000
331 0.0420 0.00000
332 -0.0431 0.00000
333 -0.0343 0.00000
334 -0.0351 0.00000
335 0.0049 0.00000
336 0.0804 0.00000
337 0.0162 0.00000
338 0.0955 0.00000
339 -0.0265 0.00000
340 0.0377 0.00000
341 -0.0002 0.00000
342 0.0092 0.00000
343 -0.0013 0.00000
344 0.0412 0.00000
345 0.0489 0.00000
346 0.1280 0.00000
347 0.0364 0.00000
348 0.0383 0.00000
349 0.0187 0.00000
350 0.0258 0.00000
351 0.0241 0.00000
352 0.0205 0.00000
353 0.0635 0.00000
354 0.0290 0.00000
355 0.0533 0.00000
356 -0.0019 0.00000
357 -0.0008 0.00000
358 -0.0080 0.00000
359 0.0217 0.00000
360 0.0123 0.00000
361 0.0053 0.00000
362 0.0286 0.00000
363 0.0308 0.00000
364 0.0149 0.00000
365 0.1182 0.00000
366 0.0020 0.00000
367 0.0059 0.00000
368 0.0229 0.00000
369 0.0330 0.00000
370 0.0025 0.00000
371 0.0095 0.00000
372 0.0902 0.00000
373 0.0401 0.00000
374 0.0678 0.00000
375 -0.0012 0.00000
376 0.0532 0.00000
377 0.0552 0.00000
378 0.0132 0.00000
379 0.0327 0.00000
380 0.0108 0.00000
381 0.0046 0.00000
382 0.0359 0.00000
383 0.0000 0.00000
384 0.0324 0.00000
385 -0.0115 0.00000
386 0.0768 0.00000
387 0.0159 0.00000
388 0.0435 0.00000
389 -0.0605 0.00000
390 0.0612 0.00000
391 0.0635 0.00000
392 0.0199 0.00000
393 -0.0135 0.00000
394 0.0646 0.00000
395 0.0349 0.00000
396 -0.0313 0.00000
397 0.0049 0.00000
398 0.0313 0.00000
399 0.0383 0.00000
400 0.0481 0.00000
401 -0.0032 0.00000
402 0.0134 0.00000
403 0.0599 0.00000
404 -0.0272 0.00000
405 0.0445 0.00000
406 -0.0585 0.00000
407 -0.0444 0.00000
408 0.0539 0.00000
409 0.0294 0.00000
410 0.0650 0.00000
411 0.0213 0.00000
412 -0.0632 0.00000
413 0.0154 0.00000
414 0.0243 0.00000
415 0.0055 0.00000
416 0.0753 0.00000
417 0.0293 0.00000
418 -0.0029 0.00000
419 -0.0267 0.00000
420 -0.0390 0.00000
421 0.0837 0.00000
422 0.0105 0.00000
423 0.0609 0.00000
424 0.0338 0.00000
425 0.0456 0.00000
426 0.1118 0.00000
427 -0.0656 0.00000
428 0.1019 0.00000
429 0.0403 0.00000
430 0.0273 0.00000
431 0.0175 0.00000
432 -0.0123 0.00000
433 0.0504 0.00000
434 -0.0324 0.00000
435 0.0045 0.00000
436 0.1033 0.00000
437 -0.0311 0.00000
438 0.1146 0.00000
439 0.0762 0.00000
440 0.1597 0.00000
441 0.0252 0.00000
442 0.0373 0.00000
443 0.1037 0.00000
444 0.0539 0.00000
445 0.0193 0.00000
446 0.0395 0.00000
447 0.0860 0.00000
448 -0.0079 0.00000
449 0.0626 0.00000
450 -0.0196 0.00000
451 0.1251 0.00000
452 0.0397 0.00000
453 0.0192 0.00000
454 0.0511 0.00000
455 0.1593 0.00000
456 0.0513 0.00000
457 0.0537 0.00000
458 0.2017 0.00000
459 -0.0010 0.00000
460 0.0605 0.00000
461 0.0551 0.00000
462 0.0016 0.00000
463 0.0317 0.00000
464 0.1406 0.00000
465 0.0659 0.00000
466 0.0095 0.00000
467 0.0951 0.00000
468 0.1035 0.00000
469 0.0118 0.00000
470 -0.0513 0.00000
471 0.0067 0.00000
472 0.1385 0.00000
473 0.2021 0.00000
474 0.1457 0.00000
475 0.1491 0.00000
476 0.1075 0.00000
477 0.0147 0.00000
478 0.4343 0.00000
479 0.0844 0.00000
480 0.2558 0.00000
481 0.0452 0.00000
482 0.0850 0.00000
483 -0.0065 0.00000
484 0.0541 0.00000
485 0.0417 0.00000
486 0.0675 0.00000
487 0.0255 0.00000
488 0.0411 0.00000
489 0.0354 0.00000
490 0.0277 0.00000
491 -0.0056 0.00000
492 -0.0469 0.00000
493 0.1345 0.00000
494 0.0283 0.00000
495 0.1056 0.00000
496 0.0188 0.00000
497 0.1141 0.00000
498 0.1483 0.00000
499 -0.0017 0.00000
500 0.0904 0.00000
501 0.1114 0.00000
502 0.0241 0.00000
503 0.0403 0.00000
504 -0.0533 0.00000
505 0.0140 0.00000
506 0.0566 0.00000
507 0.0159 0.00000
508 0.0092 0.00000
509 0.0773 0.00000
510 0.0020 0.00000
511 0.0495 0.00000
512 0.0295 0.00000
513 0.1294 0.00000
514 0.0796 0.00000
515 0.0418 0.00000
516 -0.0162 0.00000
517 -0.0129 0.00000
518 -0.0096 0.00000
519 0.0468 0.00000
520 0.0601 0.00000
521 0.0165 0.00000
522 -0.0970 0.00000
523 -0.0280 0.00000
524 0.0250 0.00000
525 -0.0518 0.00000
526 0.0090 0.00000
527 0.0601 0.00000
528 -0.0142 0.00000
529 -0.0942 0.00000
530 0.0550 0.00000
531 -0.0400 0.00000
532 0.0103 0.00000
533 -0.1070 0.00000
534 -0.0360 0.00000
535 0.0396 0.00000
536 -0.1650 0.00000
537 -0.0389 0.00000
538 0.0626 0.00000
539 -0.2632 0.00000
540 0.0097 0.00000
541 -0.0098 0.00000
542 0.0011 0.00000
543 -0.0014 0.00000
544 -0.0359 0.00000
545 -0.0784 0.00000
546 -0.0222 0.00000
547 0.0532 0.00000
548 -0.0946 0.00000
549 0.0107 0.00000
550 -0.0371 0.00000
551 -0.1301 0.00000
552 0.0670 0.00000
553 -0.0153 0.00000
554 -0.0332 0.00000
555 -0.1109 0.00000
556 -0.0739 0.00000
557 -0.0948 0.00000
558 -0.0635 0.00000
559 -0.0617 0.00000
560 -0.0893 0.00000
561 -0.1083 0.00000
562 -0.0463 0.00000
563 -0.0100 0.00000
564 -0.0705 0.00000
565 0.0082 0.00000
566 -0.0700 0.00000
567 -0.0138 0.00000
568 -0.0562 0.00000
569 -0.0480 0.00000
570 -0.0883 0.00000
571 -0.0130 0.00000
572 0.0328 0.00000
573 0.0336 0.00000
574 -0.0025 0.00000
575 -0.1215 0.00000
576 0.0795 0.00000
577 -0.0060 0.00000
578 -0.1931 0.00000
579 -0.0448 0.00000
580 -0.1516 0.00000
581 -0.0849 0.00000
582 -0.0314 0.00000
583 0.0103 0.00000
584 -0.0281 0.00000
585 0.0276 0.00000
586 0.0148 0.00000
587 -0.0476 0.00000
588 -0.0116 0.00000
589 -0.0416 0.00000
590 -0.0100 0.00000
591 0.0222 0.00000
592 -0.0076 0.00000
593 -0.0004 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0794 0.00000
597 0.0892 0.00000
598 0.0415 0.00000
599 -0.1017 0.00000
600 0.0824 0.00000
601 0.0046 0.00000
602 0.0503 0.00000
603 0.0573 0.00000
604 0.0050 0.00000
605 0.0580 0.00000
606 -0.0764 0.00000
607 0.0407 0.00000
608 -0.0019 0.00000
609 0.0115 0.00000
610 0.0166 0.00000
611 0.0035 0.00000
612 -0.0159 0.00000
613 -0.0336 0.00000
614 -0.0288 0.00000
615 -0.0765 0.00000
616 -0.0273 0.00000
617 -0.0179 0.00000
618 -0.0138 0.00000
619 -0.0792 0.00000
620 -0.0154 0.00000
621 -0.0528 0.00000
622 -0.1019 0.00000
623 -0.1698 0.00000
624 -0.1084 0.00000
625 0.0462 0.00000
626 -0.0367 0.00000
627 -0.1271 0.00000
628 0.0250 0.00000
629 -0.0178 0.00000
630 0.0200 0.00000
631 -0.0482 0.00000
632 0.0245 0.00000
633 0.0123 0.00000
634 -0.0612 0.00000
635 -0.0312 0.00000
636 0.0049 0.00000
637 -0.0040 0.00000
638 -0.0003 0.00000
639 -0.0259 0.00000
640 -0.0600 0.00000
641 0.0082 0.00000
642 -0.0495 0.00000
643 -0.0073 0.00000
644 -0.0668 0.00000
645 -0.1257 0.00000
646 -0.0246 0.00000
647 -0.0596 0.00000
648 -0.0288 0.00000
649 0.0645 0.00000
650 -0.0009 0.00000
651 0.0030 0.00000
652 -0.0295 0.00000
653 -0.1423 0.00000
654 0.0067 0.00000
655 0.0099 0.00000
656 -0.0408 0.00000
657 0.0370 0.00000
658 -0.1118 0.00000
659 -0.0404 0.00000
660 0.0287 0.00000
661 -0.0146 0.00000
662 -0.0245 0.00000
663 -0.0407 0.00000
664 -0.0272 0.00000
665 0.0280 0.00000
666 -0.0071 0.00000
667 -0.0059 0.00000
668 -0.0100 0.00000
669 0.0878 0.00000
670 -0.0159 0.00000
671 -0.1066 0.00000
672 -0.0152 0.00000
673 -0.0764 0.00000
674 -0.0381 0.00000
675 -0.0301 0.00000
676 -0.0365 0.00000
677 -0.0033 0.00000
678 -0.0755 0.00000
679 -0.0054 0.00000
680 -0.0584 0.00000
681 -0.0822 0.00000
682 0.0271 0.00000
683 0.0215 0.00000
684 0.0244 0.00000
685 -0.0101 0.00000
686 -0.0042 0.00000
687 -0.0073 0.00000
688 0.0067 0.00000
689 -0.0196 0.00000
690 -0.0627 0.00000
691 0.0147 0.00000
692 -0.0448 0.00000
693 0.0000 0.00000
694 0.0430 0.00000
695 -0.0548 0.00000
696 0.0206 0.00000
697 0.0024 0.00000
698 0.0100 0.00000
699 -0.0005 0.00000
700 -0.0688 0.00000
701 -0.0391 0.00000
702 0.0471 0.00000
703 0.0721 0.00000
704 0.0208 0.00000
705 -0.0296 0.00000
706 -0.1489 0.00000
707 0.0601 0.00000
708 -0.0070 0.00000
709 -0.0458 0.00000
710 -0.0138 0.00000
711 -0.0237 0.00000
712 -0.0376 0.00000
713 -0.0296 0.00000
714 0.0362 0.00000
715 0.0135 0.00000
716 -0.0187 0.00000
717 0.0162 0.00000
718 0.0037 0.00000
719 0.0130 0.00000
720 0.0350 0.00000
721 -0.0098 0.00000
722 -0.0071 0.00000
723 0.0031 0.00000
724 0.0192 0.00000
725 -0.0601 0.00000
726 0.0648 0.00000
727 0.0260 0.00000
728 0.0287 0.00000
729 -0.0523 0.00000
730 0.0058 0.00000
731 -0.0597 0.00000
732 0.0005 0.00000
733 0.0015 0.00000
734 0.0857 0.00000
735 -0.0052 0.00000
736 -0.0339 0.00000
737 0.0677 0.00000
738 0.0005 0.00000
739 0.0687 0.00000
740 0.0278 0.00000
741 0.0680 0.00000
742 0.0139 0.00000
743 -0.1059 0.00000
744 0.0084 0.00000
745 -0.0139 0.00000
746 -0.0196 0.00000
747 -0.0874 0.00000
748 0.0054 0.00000
749 0.0154 0.00000
750 -0.0009 0.00000
751 0.0174 0.00000
752 -0.0193 0.00000
753 -0.0184 0.00000
754 -0.0049 0.00000
755 -0.0113 0.00000
756 -0.0424 0.00000
757 0.0256 0.00000
758 -0.0043 0.00000
759 0.0431 0.00000
760 -0.0234 0.00000
761 0.0143 0.00000
762 0.0497 0.00000
763 -0.0500 0.00000
764 0.0211 0.00000
765 0.0055 0.00000
766 0.0858 0.00000
767 -0.0861 0.00000
768 -0.0590 0.00000
769 0.0094 0.00000
770 -0.0152 0.00000
771 0.0382 0.00000
772 0.0357 0.00000
773 -0.0167 0.00000
774 -0.0247 0.00000
775 0.0072 0.00000
776 -0.0194 0.00000
777 0.0394 0.00000
778 0.0433 0.00000
779 0.0240 0.00000
780 0.0467 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0270 0.00000
2 0.0385 0.00000
3 0.0398 0.00000
4 0.0491 0.00000
5 0.1039 0.00000
6 0.0840 0.00000
7 0.0224 0.00000
8 0.0396 0.00000
9 0.1768 0.00000
10 0.1238 0.00000
11 0.0769 0.00000
12 -0.0416 0.00000
13 -0.0146 0.00000
14 -0.0548 0.00000
15 0.2186 0.00000
16 1.5355 0.00000
17 0.0665 0.00000
18 0.1714 0.00000
19 0.0101 0.00000
20 -0.1428 0.00000
21 0.0349 0.00000
22 -0.0338 0.00000
23 0.0363 0.00000
24 0.2799 0.00000
25 0.2436 0.00000
26 -0.1731 0.00000
27 -0.1218 0.00000
28 0.1409 0.00000
29 -0.0301 0.00000
30 -0.0596 0.00000
31 0.6462 0.00000
32 0.2348 0.00000
33 0.0020 0.00000
34 0.0136 0.00000
35 0.0122 0.00000
36 0.8851 0.00000
37 0.1616 0.00000
38 0.0623 0.00000
39 0.0270 0.00000
40 0.7997 0.00000
41 0.0546 0.00000
42 0.1312 0.00000
43 -0.0012 0.00000
44 0.1732 0.00000
45 -0.0258 0.00000
46 -0.0888 0.00000
47 0.4627 0.00000
48 0.3242 0.00000
49 0.1561 0.00000
50 0.0438 0.00000
51 -0.0125 0.00000
52 0.0328 0.00000
53 -0.0235 0.00000
54 0.1165 0.00000
55 0.0264 0.00000
56 0.6691 0.00000
57 -0.0745 0.00000
58 0.1237 0.00000
59 0.2376 0.00000
60 0.0409 0.00000
61 -0.0510 0.00000
62 0.2466 0.00000
63 -0.0110 0.00000
64 0.9615 0.00000
65 0.0938 0.00000
66 -0.0075 0.00000
67 0.1360 0.00000
68 0.0172 0.00000
69 0.0572 0.00000
70 -0.0326 0.00000
71 0.0357 0.00000
72 -0.0283 0.00000
73 0.0422 0.00000
74 0.0532 0.00000
75 0.0032 0.00000
76 -0.1103 0.00000
77 -0.0034 0.00000
78 0.0092 0.00000
79 -0.1252 0.00000
80 0.0045 0.00000
81 -0.1358 0.00000
82 -0.2012 0.00000
83 -0.0483 0.00000
84 0.0712 0.00000
85 -0.0165 0.00000
86 0.0124 0.00000
87 0.0061 0.00000
88 0.1812 0.00000
89 0.0279 0.00000
90 0.0104 0.00000
91 0.0403 0.00000
92 0.0587 0.00000
93 -0.1774 0.00000
94 0.0616 0.00000
95 -0.4050 0.00000
96 -0.4936 0.00000
97 -0.0974 0.00000
98 0.0061 0.00000
99 0.1443 0.00000
100 0.1928 0.00000
101 0.0808 0.00000
102 -0.0419 0.00000
103 0.0522 0.00000
104 -0.4245 0.00000
105 0.0722 0.00000
106 -0.0645 0.00000
107 0.0649 0.00000
108 0.1281 0.00000
109 0.0142 0.00000
110 0.0117 0.00000
111 0.1184 0.00000
112 0.0059 0.00000
113 0.0231 0.00000
114 -0.0076 0.00000
115 0.1058 0.00000
116 0.0970 0.00000
117 0.0002 0.00000
118 -0.3682 0.00000
119 -0.0226 0.00000
120 -0.3709 0.00000
121 -0.0872 0.00000
122 -0.1013 0.00000
123 0.0381 0.00000
124 -1.5495 0.00000
125 0.2695 0.00000
126 0.0438 0.00000
127 -0.0006 0.00000
128 0.0848 0.00000
129 -0.6448 0.00000
130 0.0208 0.00000
131 0.1042 0.00000
132 0.0132 0.00000
133 -0.0261 0.00000
134 0.0776 0.00000
135 0.0305 0.00000
136 -0.1281 0.00000
137 0.2629 0.00000
138 0.0039 0.00000
139 -0.0614 0.00000
140 -0.0369 0.00000
141 -0.1341 0.00000
142 0.0258 0.00000
143 -0.0795 0.00000
144 -0.0488 0.00000
145 -0.0184 0.00000
146 0.0017 0.00000
147 -0.0173 0.00000
148 0.0261 0.00000
149 0.1638 0.00000
150 0.0223 0.00000
151 0.2667 0.00000
152 -0.0260 0.00000
153 0.0727 0.00000
154 0.0418 0.00000
155 -0.0043 0.00000
156 0.0764 0.00000
157 0.0824 0.00000
158 0.0779 0.00000
159 0.1575 0.00000
160 0.0781 0.00000
161 0.1847 0.00000
162 0.3708 0.00000
163 0.0482 0.00000
164 -0.0189 0.00000
165 0.0433 0.00000
166 0.1650 0.00000
167 0.0261 0.00000
168 0.0211 0.00000
169 0.0149 0.00000
170 0.0887 0.00000
171 0.2024 0.00000
172 0.0532 0.00000
173 0.0587 0.00000
174 0.0164 0.00000
175 0.1026 0.00000
176 0.1501 0.00000
177 0.0629 0.00000
178 0.2132 0.00000
179 0.0936 0.00000
180 -0.0109 0.00000
181 0.1263 0.00000
182 -0.0236 0.00000
183 -0.0692 0.00000
184 0.1130 0.00000
185 0.0422 0.00000
186 -0.0132 0.00000
187 0.0367 0.00000
188 0.0818 0.00000
189 0.0389 0.00000
190 0.1913 0.00000
191 0.0295 0.00000
192 0.1903 0.00000
193 -0.0135 0.00000
194 0.0061 0.00000
195 -0.0373 0.00000
196 0.0210 0.00000
197 0.0277 0.00000
198 -0.0754 0.00000
199 -0.0240 0.00000
200 0.0400 0.00000
201 -0.0477 0.00000
202 0.0579 0.00000
203 0.0101 0.00000
204 0.2325 0.00000
205 0.0403 0.00000
206 0.0751 0.00000
207 0.0840 0.00000
208 0.1364 0.00000
209 0.0371 0.00000
210 0.1663 0.00000
211 0.0175 0.00000
212 0.0377 0.00000
213 0.0591 0.00000
214 0.0223 0.00000
215 0.5364 0.00000
216 0.1109 0.00000
217 0.0618 0.00000
218 0.0285 0.00000
219 0.1608 0.00000
220 0.0305 0.00000
221 0.3804 0.00000
222 0.0017 0.00000
223 0.1438 0.00000
224 0.4764 0.00000
225 0.1209 0.00000
226 0.0371 0.00000
227 -0.0017 0.00000
228 0.0262 0.00000
229 -0.0101 0.00000
230 -0.0438 0.00000
231 0.1209 0.00000
232 0.0232 0.00000
233 -0.0060 0.00000
234 -0.0717 0.00000
235 -0.2398 0.00000
236 -0.0152 0.00000
237 0.0012 0.00000
238 -0.4223 0.00000
239 0.0590 0.00000
240 -0.0501 0.00000
241 -0.2181 0.00000
242 0.0829 0.00000
243 0.0067 0.00000
244 -0.0048 0.00000
245 0.0280 0.00000
246 -0.0152 0.00000
247 0.0262 0.00000
248 0.0797 0.00000
249 -0.0181 0.00000
250 -0.0028 0.00000
251 0.0094 0.00000
252 0.0711 0.00000
253 -0.0073 0.00000
254 -0.0802 0.00000
255 -0.0203 0.00000
256 -0.0199 0.00000
257 0.0315 0.00000
258 -0.0294 0.00000
259 -0.0693 0.00000
260 -0.0584 0.00000
261 -0.0311 0.00000
262 -0.0085 0.00000
263 0.1121 0.00000
264 -0.0375 0.00000
265 0.0114 0.00000
266 -0.0088 0.00000
267 -0.0287 0.00000
268 -0.0007 0.00000
269 0.0050 0.00000
270 -0.0409 0.00000
271 0.0599 0.00000
272 0.0759 0.00000
273 0.0117 0.00000
274 0.0350 0.00000
275 -0.0204 0.00000
276 -0.0169 0.00000
277 0.0107 0.00000
278 -0.0973 0.00000
279 0.0501 0.00000
280 -0.0594 0.00000
281 -0.0080 0.00000
282 0.0832 0.00000
283 -0.0281 0.00000
284 0.0106 0.00000
285 0.0450 0.00000
286 -0.0102 0.00000
287 0.1057 0.00000
288 -0.0359 0.00000
289 0.0255 0.00000
290 0.0846 0.00000
291 -0.0271 0.00000
292 0.0354 0.00000
293 -0.0148 0.00000
294 -0.0402 0.00000
295 0.2212 0.00000
296 0.0407 0.00000
297 0.0271 0.00000
298 -0.0591 0.00000
299 0.0539 0.00000
300 -0.0285 0.00000
301 -0.0184 0.00000
302 -0.0637 0.00000
303 0.0446 0.00000
304 0.1316 0.00000
305 -0.0140 0.00000
306 -0.1992 0.00000
307 0.1010 0.00000
308 0.0026 0.00000
309 -0.0670 0.00000
310 0.0372 0.00000
311 -0.0282 0.00000
312 -0.0288 0.00000
313 -0.0180 0.00000
314 -0.0055 0.00000
315 0.0324 0.00000
316 0.0241 0.00000
317 0.0018 0.00000
318 0.0212 0.00000
319 -0.0062 0.00000
320 -0.0486 0.00000
321 0.0206 0.00000
322 -0.0336 0.00000
323 0.0285 0.00000
324 -0.0307 0.00000
325 0.0143 0.00000
326 0.0355 0.00000
327 -0.0025 0.00000
328 0.0704 0.00000
329 0.0538 0.00000
330 0.0646 0.00000
331 0.0467 0.00000
332 0.0301 0.00000
333 0.0015 0.00000
334 -0.0542 0.00000
335 -0.0295 0.00000
336 -0.0116 0.00000
337 -0.0088 0.00000
338 -0.0024 0.00000
339 -0.0096 0.00000
340 0.0946 0.00000
341 0.0084 0.00000
342 0.1252 0.00000
343 0.0482 0.00000
344 -0.0535 0.00000
345 -0.0392 0.00000
346 0.0816 0.00000
347 0.1321 0.00000
348 0.0821 0.00000
349 -0.0511 0.00000
350 0.0055 0.00000
351 0.0348 0.00000
352 0.1166 0.00000
353 0.0770 0.00000
354 0.0295 0.00000
355 -0.0033 0.00000
356 -0.0457 0.00000
357 0.0138 0.00000
358 0.0486 0.00000
359 0.0186 0.00000
360 -0.0157 0.00000
361 0.0355 0.00000
362 0.0266 0.00000
363 -0.0027 0.00000
364 -0.0161 0.00000
365 0.0088 0.00000
366 0.0937 0.00000
367 0.0038 0.00000
368 0.0173 0.00000
369 0.0471 0.00000
370 0.0183 0.00000
371 0.0626 0.00000
372 0.0404 0.00000
373 0.0378 0.00000
374 0.0810 0.00000
375 0.0331 0.00000
376 -0.0369 0.00000
377 0.1358 0.00000
378 0.0045 0.00000
379 0.0093 0.00000
380 -0.0074 0.00000
381 0.0001 0.00000
382 -0.0096 0.00000
383 -0.0354 0.00000
384 0.0996 0.00000
385 -0.0049 0.00000
386 -0.0085 0.00000
387 0.0705 0.00000
388 -0.0210 0.00000
389 0.0887 0.00000
390 0.0207 0.00000
391 0.0256 0.00000
392 0.0109 0.00000
393 0.0189 0.00000
394 0.0285 0.00000
395 0.0607 0.00000
396 0.0473 0.00000
397 0.0174 0.00000
398 0.0249 0.00000
399 0.0302 0.00000
400 0.0116 0.00000
401 0.0351 0.00000
402 -0.0345 0.00000
403 0.0349 0.00000
404 0.0037 0.00000
405 -0.0143 0.00000
406 0.0337 0.00000
407 0.0615 0.00000
408 -0.0444 0.00000
409 0.0374 0.00000
410 -0.0794 0.00000
411 -0.0032 0.00000
412 -0.0056 0.00000
413 0.0013 0.00000
414 0.0073 0.00000
415 0.0332 0.00000
416 0.1307 0.00000
417 0.0303 0.00000
418 0.0539 0.00000
419 0.0106 0.00000
420 0.0195 0.00000
421 0.0772 0.00000
422 -0.0296 0.00000
423 0.0581 0.00000
424 0.0346 0.00000
425 -0.0176 0.00000
426 0.0176 0.00000
427 -0.0119 0.00000
428 0.0195 0.00000
429 0.0309 0.00000
430 0.0002 0.00000
431 0.0497 0.00000
432 0.0967 0.00000
433 0.0149 0.00000
434 0.0144 0.00000
435 -0.0443 0.00000
436 0.1697 0.00000
437 0.0267 0.00000
438 0.0188 0.00000
439 0.0377 0.00000
440 0.1483 0.00000
441 0.0062 0.00000
442 0.0884 0.00000
443 -0.0367 0.00000
444 0.1083 0.00000
445 0.1673 0.00000
446 0.0642 0.00000
447 0.0266 0.00000
448 0.0664 0.00000
449 -0.0008 0.00000
450 0.0761 0.00000
451 -0.0447 0.00000
452 0.1616 0.00000
453 0.1393 0.00000
454 0.0458 0.00000
455 -0.0088 0.00000
456 0.0723 0.00000
457 0.0087 0.00000
458 0.0488 0.00000
459 0.0588 0.00000
460 -0.0093 0.00000
461 0.3344 0.00000
462 0.0208 0.00000
463 0.0335 0.00000
464 0.0681 0.00000
465 0.0833 0.00000
466 -0.0391 0.00000
467 0.0078 0.00000
468 0.0990 0.00000
469 0.0943 0.00000
470 0.1886 0.00000
471 0.0305 0.00000
472 0.0327 0.00000
473 0.1264 0.00000
474 0.2142 0.00000
475 -0.0184 0.00000
476 0.1095 0.00000
477 0.0777 0.00000
478 0.1716 0.00000
479 0.1438 0.00000
480 0.0964 0.00000
481 0.0724 0.00000
482 0.1835 0.00000
483 -0.0700 0.00000
484 0.0465 0.00000
485 0.0500 0.00000
486 0.0948 0.00000
487 0.0131 0.00000
488 0.2570 0.00000
489 -0.0326 0.00000
490 -0.0006 0.00000
491 0.0630 0.00000
492 0.0983 0.00000
493 0.3424 0.00000
494 -0.0565 0.00000
495 0.1085 0.00000
496 0.0028 0.00000
497 0.0514 0.00000
498 0.0584 0.00000
499 0.0060 0.00000
500 0.0327 0.00000
501 0.0746 0.00000
502 0.0201 0.00000
503 0.0847 0.00000
504 0.0015 0.00000
505 -0.0528 0.00000
506 0.0037 0.00000
507 0.0598 0.00000
508 0.0543 0.00000
509 0.0383 0.00000
510 0.0141 0.00000
511 0.0428 0.00000
512 0.0277 0.00000
513 -0.0162 0.00000
514 0.1333 0.00000
515 -0.0213 0.00000
516 0.0154 0.00000
517 0.0367 0.00000
518 0.0735 0.00000
519 0.0575 0.00000
520 -0.0009 0.00000
521 0.0178 0.00000
522 -0.1098 0.00000
523 -0.0194 0.00000
524 0.0217 0.00000
525 0.0049 0.00000
526 0.0305 0.00000
527 -0.1424 0.00000
528 -0.0257 0.00000
529 -0.0342 0.00000
530 -0.0637 0.00000
531 0.0546 0.00000
532 -0.0197 0.00000
533 -0.0285 0.00000
534 -0.0330 0.00000
535 -0.0371 0.00000
536 -0.0487 0.00000
537 -0.0235 0.00000
538 0.1151 0.00000
539 -0.0915 0.00000
540 -0.0443 0.00000
541 -0.0620 0.00000
542 -0.0210 0.00000
543 -0.0113 0.00000
544 -0.0247 0.00000
545 -0.1016 0.00000
546 -0.0494 0.00000
547 -0.0126 0.00000
548 0.0038 0.00000
549 -0.0411 0.00000
550 -0.0850 0.00000
551 0.0284 0.00000
552 -0.0239 0.00000
553 0.0001 0.00000
554 -0.0071 0.00000
555 -0.1366 0.00000
556 -0.0143 0.00000
557 -0.1728 0.00000
558 -0.2297 0.00000
559 -0.0028 0.00000
560 -0.0444 0.00000
561 -0.0455 0.00000
562 -0.0167 0.00000
563 -0.1610 0.00000
564 -0.0275 0.00000
565 0.0398 0.00000
566 -0.0219 0.00000
567 -0.0338 0.00000
568 -0.1231 0.00000
569 -0.0115 0.00000
570 -0.0614 0.00000
571 -0.0029 0.00000
572 0.0091 0.00000
573 -0.0578 0.00000
574 -0.0145 0.00000
575 0.1943 0.00000
576 0.0566 0.00000
577 -0.1935 0.00000
578 -0.1455 0.00000
579 -0.1874 0.00000
580 -0.0939 0.00000
581 -0.0776 0.00000
582 0.0029 0.00000
583 0.0600 0.00000
584 -0.0765 0.00000
585 0.0185 0.00000
586 0.0326 0.00000
587 -0.0456 0.00000
588 -0.0148 0.00000
589 -0.0416 0.00000
590 -0.0132 0.00000
591 0.0229 0.00000
592 -0.0082 0.00000
593 -0.0005 0.00000
594 0.0051 0.00000
595 0.0065 0.00000
596 0.0794 0.00000
597 0.0892 0.00000
598 0.0425 0.00000
599 -0.0988 0.00000
600 0.0599 0.00000
601 0.0631 0.00000
602 0.1191 0.00000
603 -0.0122 0.00000
604 -0.0026 0.00000
605 -0.0774 0.00000
606 0.0169 0.00000
607 0.0335 0.00000
608 0.0189 0.00000
609 0.0209 0.00000
610 -0.0076 0.00000
611 -0.0089 0.00000
612 0.0311 0.00000
613 -0.0837 0.00000
614 -0.0036 0.00000
615 0.0197 0.00000
616 -0.0015 0.00000
617 -0.2083 0.00000
618 0.0218 0.00000
619 -0.0235 0.00000
620 -0.0542 0.00000
621 -0.0542 0.00000
622 -0.0210 0.00000
623 -0.0748 0.00000
624 -0.0334 0.00000
625 -0.2589 0.00000
626 -0.0037 0.00000
627 0.0370 0.00000
628 -0.0196 0.00000
629 0.0035 0.00000
630 -0.0597 0.00000
631 -0.0585 0.00000
632 -0.0138 0.00000
633 -0.0175 0.00000
634 -0.0167 0.00000
635 -0.0625 0.00000
636 -0.0428 0.00000
637 -0.0167 0.00000
638 -0.0327 0.00000
639 -0.0369 0.00000
640 0.0741 0.00000
641 0.0520 0.00000
642 -0.0017 0.00000
643 -0.1167 0.00000
644 -0.1186 0.00000
645 -0.0705 0.00000
646 -0.0307 0.00000
647 -0.0197 0.00000
648 -0.0381 0.00000
649 -0.0504 0.00000
650 -0.0324 0.00000
651 -0.0848 0.00000
652 0.0271 0.00000
653 0.0035 0.00000
654 -0.0019 0.00000
655 0.0382 0.00000
656 -0.0184 0.00000
657 -0.0098 0.00000
658 -0.0915 0.00000
659 0.0271 0.00000
660 -0.0348 0.00000
661 -0.0351 0.00000
662 -0.0090 0.00000
663 0.0131 0.00000
664 0.0058 0.00000
665 -0.0478 0.00000
666 -0.0003 0.00000
667 0.0014 0.00000
668 0.0551 0.00000
669 -0.1445 0.00000
670 -0.0645 0.00000
671 -0.0144 0.00000
672 0.0020 0.00000
673 0.0026 0.00000
674 0.0419 0.00000
675 0.0162 0.00000
676 -0.0492 0.00000
677 0.0084 0.00000
678 0.0149 0.00000
679 -0.0717 0.00000
680 -0.0600 0.00000
681 -0.0036 0.00000
682 -0.0596 0.00000
683 0.0023 0.00000
684 -0.0508 0.00000
685 0.0287 0.00000
686 -0.0235 0.00000
687 -0.0299 0.00000
688 -0.0507 0.00000
689 0.0233 0.00000
690 -0.0246 0.00000
691 -0.0196 0.00000
692 0.0215 0.00000
693 -0.0276 0.00000
694 -0.0119 0.00000
695 -0.0185 0.00000
696 -0.0383 0.00000
697 0.0012 0.00000
698 -0.0190 0.00000
699 0.0203 0.00000
700 0.0157 0.00000
701 -0.0477 0.00000
702 -0.0118 0.00000
703 0.0052 0.00000
704 0.0098 0.00000
705 0.0291 0.00000
706 0.0524 0.00000
707 -0.0209 0.00000
708 -0.1002 0.00000
709 0.0049 0.00000
710 0.0002 0.00000
711 0.0009 0.00000
712 -0.0085 0.00000
713 -0.0158 0.00000
714 0.0018 0.00000
715 -0.0505 0.00000
716 -0.0171 0.00000
717 0.0155 0.00000
718 0.0020 0.00000
719 0.0377 0.00000
720 0.0199 0.00000
721 -0.0158 0.00000
722 -0.0228 0.00000
723 0.0638 0.00000
724 -0.0134 0.00000
725 0.0147 0.00000
726 -0.0751 0.00000
727 0.0201 0.00000
728 0.0760 0.00000
729 -0.0233 0.00000
730 0.0639 0.00000
731 0.0170 0.00000
732 0.0686 0.00000
733 -0.0401 0.00000
734 -0.0959 0.00000
735 0.0010 0.00000
736 -0.0242 0.00000
737 -0.0343 0.00000
738 -0.0365 0.00000
739 -0.0109 0.00000
740 -0.0379 0.00000
741 0.0274 0.00000
742 0.0112 0.00000
743 -0.0128 0.00000
744 0.0764 0.00000
745 -0.0028 0.00000
746 -0.0179 0.00000
747 0.0490 0.00000
748 0.0178 0.00000
749 -0.0261 0.00000
750 0.0400 0.00000
751 0.0250 0.00000
752 0.0262 0.00000
753 -0.0399 0.00000
754 0.0670 0.00000
755 0.0173 0.00000
756 -0.0308 0.00000
757 0.0288 0.00000
758 0.0163 0.00000
759 0.0090 0.00000
760 -0.0433 0.00000
761 0.0173 0.00000
762 -0.0527 0.00000
763 -0.0092 0.00000
764 -0.0592 0.00000
765 -0.0553 0.00000
766 -0.0039 0.00000
767 -0.0252 0.00000
768 0.0399 0.00000
769 -0.0386 0.00000
770 0.0267 0.00000
771 -0.0518 0.00000
772 0.0825 0.00000
773 0.0179 0.00000
774 -0.0109 0.00000
775 0.0235 0.00000
776 0.0099 0.00000
777 -0.0171 0.00000
778 -0.0103 0.00000
779 0.0102 0.00000
780 0.0108 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 6 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
6.01182 -2.75637 -4.04790
-2.75587-22.14614 8.30209
-4.04768 8.30219 -5.69335
POSITION FORCE-CONSTANT FOR ION 6 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -1.296634 -0.252223 1.735473
4.30302 2.15352 7.05746 0.017224 -0.002690 0.240414
1.30883 4.06731 2.03161 -0.052263 0.657550 0.487618
3.96992 4.32885 4.13194 0.102681 0.044360 0.268039
1.29275 3.05683 8.10201 0.035005 0.058883 0.249462
3.79636 1.47547 14.70421 -2.359633 -1.661949 -30.240950
1.24643 4.63551 10.86193 0.702113 -0.148429 0.374026
3.89005 4.20092 12.88287 -0.054677 -3.035721 1.472034
1.04482 6.69020 17.44020 0.052636 0.312406 -0.209485
3.77370 7.04599 6.61024 0.023506 0.009602 0.148837
0.71312 9.21049 2.53845 0.009048 0.006658 0.025470
3.86880 9.70388 4.59023 0.018014 -0.014335 0.054832
1.19399 7.29663 8.75952 0.025637 -0.130932 0.194325
4.14925 6.52609 15.71477 -0.223331 -0.056587 -0.481210
1.16791 10.19708 10.50563 0.072604 -0.018007 -0.004458
3.90202 11.30466 11.97145 0.017336 0.033627 0.016477
1.41963 13.48240 16.88000 0.097251 -0.191759 -0.276727
3.89470 12.50036 6.39588 0.019376 -0.035941 0.146137
1.24092 15.65995 2.03746 -0.184038 -0.549632 0.173623
3.45676 13.88732 3.60018 0.121274 -0.152804 0.157865
1.37686 12.90671 8.69683 0.028505 0.030128 0.119652
4.20896 12.98001 14.89140 0.168703 0.158265 -0.243690
1.28271 15.54574 11.35729 0.363341 0.191695 0.117401
4.02704 16.14416 13.12883 -0.107678 1.663612 0.998155
8.51844 2.13686 0.32759 0.178106 0.062494 -0.002511
10.42520 1.68659 6.72748 -0.058971 0.020646 0.076559
6.89192 4.41938 2.41726 0.042538 0.175645 0.127233
10.22536 4.35381 4.16682 0.029048 0.024344 0.080135
7.19238 2.15284 8.75827 -0.038268 0.001217 0.227777
10.67141 2.29852 15.08728 0.027826 -0.012985 -0.229192
7.24075 4.59797 11.01224 -0.433954 -0.008524 0.329876
10.30176 4.56419 12.61212 -0.208460 0.038118 -0.160485
6.40057 6.85176 0.36515 -0.032821 0.096945 -0.094701
9.75325 6.62606 6.90745 -0.046054 0.010257 0.073536
6.24007 9.67823 1.67645 0.001825 0.025288 -0.015047
6.65558 7.06042 8.79421 0.018224 -0.112242 0.171690
11.80692 6.94639 14.05727 -0.042755 -0.004891 -0.067131
6.39955 9.97659 10.34026 -0.028284 -0.028873 0.022421
11.03265 10.16848 13.84914 -0.016311 -0.005170 -0.028906
6.77345 12.10505 16.99256 -0.072789 -0.036067 -0.122987
10.32223 13.09442 6.99099 -0.044177 -0.016638 0.047394
10.59365 15.96480 4.77521 -0.001010 0.004573 0.078528
6.94250 12.79247 7.88185 -0.008064 0.014267 0.080439
10.18654 12.31147 16.08279 -0.033019 -0.018463 -0.029597
7.13888 17.01345 11.20310 -0.408332 -0.028028 0.073138
10.37682 0.23169 12.64835 -0.108008 -0.008035 -0.089739
13.24904 1.54346 17.14370 -0.160359 0.000369 0.046259
15.89410 1.64185 6.44545 0.042831 -0.015890 0.165836
12.98857 4.28042 2.14546 -0.026045 0.044386 0.015090
15.96785 4.32998 4.48967 -0.085857 0.066457 0.180111
13.27097 1.52537 8.57426 -0.018318 0.006660 0.047872
16.03461 1.53130 15.21659 -0.404563 0.219925 -0.532137
13.37701 3.97590 10.80799 -0.029570 0.014568 0.000294
16.23421 4.17555 13.11475 0.202828 0.161858 -0.364993
13.12188 6.75851 16.83328 -0.021474 0.034841 -0.053407
16.15350 6.82329 6.57280 0.044898 0.050717 0.131806
13.80451 11.28726 3.11364 -0.012370 -0.016052 0.016146
16.01530 9.31599 4.57229 -0.006085 0.002977 0.044270
16.24774 6.95131 14.97400 -0.015641 0.021216 -0.095212
13.37358 11.10317 11.33384 0.001803 -0.007644 -0.002366
16.26481 10.28310 12.82929 0.025366 -0.010614 -0.046895
13.02958 12.87265 0.34345 -0.020301 -0.055606 -0.033029
15.63587 13.81058 6.90598 0.015641 -0.047846 0.109704
13.11026 15.86276 1.91698 -0.043469 -0.043918 0.021176
16.04847 15.98249 4.25314 -0.154371 -0.010687 0.194008
12.92950 13.50280 9.01948 -0.014360 0.002537 0.023705
16.03470 13.24150 15.21399 -0.024933 -0.038781 -0.068813
13.00717 16.52927 10.76204 -0.038203 0.011415 0.004883
15.92967 15.85673 13.13419 0.160884 -0.111057 -0.182659
1.86054 17.36365 1.29865 0.248355 0.294726 -0.290441
4.17830 2.73136 5.21241 -0.017627 0.021202 -0.095512
3.26426 5.75851 5.24301 -0.011503 -0.033797 -0.076879
17.49829 1.67854 7.58538 -0.045169 -0.018107 -0.061237
1.16532 17.05709 10.27678 -0.071819 -0.007704 -0.022918
3.43296 5.28736 14.40974 0.091023 0.713425 0.295699
5.78979 4.58179 12.35127 0.268372 0.370951 -0.209045
2.66622 1.96025 16.18884 -2.592582 1.484602 6.152703
17.32027 0.89679 16.51550 0.559015 0.138884 -0.024727
0.46199 8.18893 0.93413 -0.026358 -0.030203 0.031014
5.39231 10.11127 3.40660 -0.003251 -0.001316 -0.002213
2.32066 9.80687 3.44943 -0.007837 0.004229 -0.010361
4.91964 7.92130 14.71679 0.024038 0.052450 0.072636
2.68710 7.23238 16.69438 -0.001507 0.010352 0.149777
0.01020 10.88204 2.02154 -0.003463 0.004874 -0.004301
4.21835 0.28129 6.98759 0.000143 -0.001314 -0.027569
17.23783 13.81793 8.03064 -0.036117 0.005852 -0.036852
4.79582 14.66186 14.12172 0.041072 -0.311984 0.002384
1.82404 14.00413 10.26937 -0.020747 -0.062573 -0.056689
5.26768 16.92854 11.79676 0.114273 -0.028485 -0.158740
10.96027 2.96124 5.34122 0.004943 -0.000800 -0.032707
6.97457 3.04582 1.08259 -0.062985 -0.085154 -0.045726
10.16898 6.05361 5.08582 0.002972 -0.017668 -0.029845
8.34039 4.05066 3.68939 -0.044171 -0.022863 -0.051808
8.74489 2.42632 7.55292 0.046893 -0.002473 -0.047387
7.18775 0.35634 9.46384 0.086217 0.026299 -0.063177
11.47395 4.04892 11.19556 0.051130 -0.012025 0.012270
9.15080 2.77757 16.12393 -0.050813 -0.015035 0.070995
7.98734 0.36277 0.04247 -0.027039 0.005611 0.033572
8.09306 7.37877 7.53063 0.014412 0.003353 -0.035881
5.20414 6.37683 7.73407 -0.030416 0.007102 -0.051327
12.25313 11.32613 12.87115 0.002549 0.002747 0.009508
7.88582 9.71337 11.41294 0.009439 0.001556 0.009397
7.90588 7.26091 16.85699 0.003043 -0.005685 0.019684
11.07224 14.64349 6.08452 0.010804 0.006271 -0.016913
9.97410 0.03402 5.82220 0.012590 -0.017550 -0.031049
11.77786 16.49122 3.26041 0.017998 0.001906 -0.025743
6.65717 11.67689 9.40508 0.005815 0.000658 -0.014261
7.76961 15.24886 11.07941 0.095477 -0.000609 -0.030736
8.52712 0.41686 12.29829 0.090412 0.002038 0.015548
13.11181 17.12784 0.26607 0.027523 0.019676 -0.005145
13.20693 2.50512 1.34897 0.013780 -0.008294 -0.015369
17.29335 3.71694 3.19979 0.105451 -0.073808 -0.126444
14.20035 4.69758 3.69278 0.018057 -0.009266 -0.014297
14.59997 3.56179 12.23787 0.008482 -0.016472 0.058436
13.57708 5.48481 0.72232 0.004451 -0.019782 0.023458
12.29749 8.18631 0.22048 0.002632 -0.008200 0.013232
16.86596 10.59176 5.62457 -0.000324 -0.003559 -0.004248
16.66958 8.43890 13.63905 -0.002866 -0.001858 0.022437
16.67265 11.67449 14.15979 -0.003103 0.020566 0.026249
14.70756 7.45696 15.98014 -0.000065 -0.009376 0.026334
16.06899 0.34084 4.92526 0.003187 -0.013501 -0.047922
14.63768 15.41566 3.05858 0.037612 0.007981 -0.008885
12.21694 15.07373 9.87203 0.012734 -0.005655 0.000937
15.65466 0.14914 13.86557 0.015824 0.029358 0.109059
14.35754 15.71932 11.91759 -0.006642 0.019859 0.034481
14.30081 12.83268 16.21967 -0.001677 0.010877 0.019070
8.77223 10.39607 2.47225 -0.001738 0.000550 0.005471
12.91187 8.54216 10.48161 0.000514 -0.003309 0.006457
8.49467 15.82840 2.99445 0.018366 -0.016480 0.029872
1.32045 2.68577 1.08043 0.254436 -0.609951 -0.815310
5.44581 4.42337 3.31859 0.000162 -0.036368 -0.081144
2.71895 4.15019 2.95898 -0.166419 -0.112987 -0.253025
2.89361 2.63574 7.84048 0.030021 -0.012558 -0.112194
3.72928 2.61904 13.46082 0.916619 -6.353452 10.415638
1.12195 3.42722 9.72736 -0.102822 -0.049206 -0.242963
2.69176 4.49808 11.70258 -0.566731 0.473544 -0.562912
1.13271 5.33613 0.95032 0.034090 -0.338021 0.091634
4.03043 8.42197 5.67301 -0.011666 0.020942 -0.050496
3.75157 11.03623 5.64253 -0.006772 -0.003207 -0.036502
2.52170 7.25791 7.75547 0.033943 0.006684 -0.086920
17.39856 7.13193 7.68295 -0.075704 0.000254 -0.095989
1.18188 6.06412 9.94036 -0.088315 0.181996 -0.185255
1.18202 8.73358 9.65531 -0.014173 0.036770 -0.009094
3.91098 11.84592 13.59643 -0.026780 -0.048356 0.015640
5.12928 10.31683 11.41789 0.017542 -0.003354 -0.012433
2.50977 10.51875 11.46580 -0.042286 -0.013433 -0.012689
17.45087 6.59897 16.12377 0.021056 -0.060317 0.092553
3.55980 13.67281 5.25157 -0.029714 0.057782 -0.126427
1.28803 14.62748 0.64715 -0.007052 0.296789 0.196464
4.98905 14.24610 3.11864 -0.032657 0.041617 -0.023843
2.40264 15.06164 3.08512 -0.127944 0.241153 -0.167095
2.72172 12.72875 7.62075 0.035901 -0.012184 -0.077433
1.06333 11.39589 9.35618 -0.019655 -0.009099 -0.020734
3.61212 17.43666 14.11103 0.884138 6.580644 5.629035
2.61877 15.69429 12.36150 -0.257492 -0.220734 -0.204926
2.80206 13.36593 15.83914 -0.188890 0.025001 0.194950
17.47316 13.58140 16.05649 0.038426 0.045058 0.080668
9.77890 2.08644 1.42003 -0.073555 -0.019793 -0.031755
11.39452 4.37239 2.86549 0.025423 -0.017136 -0.042427
5.75314 2.47184 7.89843 -0.061166 0.004467 -0.126232
10.58974 3.42804 13.84178 0.022212 -0.078224 0.151826
7.29963 3.26088 10.01774 0.093407 -0.087975 -0.179347
10.61644 6.04073 13.30213 0.055724 0.030538 0.054662
8.72282 4.57356 11.93667 0.327019 -0.014304 0.089396
6.87268 5.85394 1.60201 0.009821 -0.119957 0.052596
10.69996 7.99849 7.09252 0.012661 -0.001644 -0.017632
5.73707 8.23825 1.01832 0.007505 -0.028962 0.017652
10.63831 11.82289 5.95914 0.011350 -0.001731 -0.014618
12.27791 10.92294 3.59234 0.011887 0.005705 -0.005101
7.82470 9.40720 2.06031 0.003852 -0.010760 0.005755
7.06519 5.95381 10.03323 0.032585 0.172636 -0.226101
11.49637 8.56646 14.11248 0.012067 -0.004684 0.020917
6.22218 8.54831 9.46647 0.008209 0.029007 -0.021162
10.64255 10.88430 15.28736 0.002389 0.017667 0.031524
5.27533 6.08183 16.89617 0.090530 -0.080399 0.183016
6.19392 10.87447 0.49133 0.003768 -0.013398 0.044925
6.63594 13.50144 0.40946 -0.002583 0.054037 0.047201
9.20318 15.33527 4.12194 -0.029485 0.008172 -0.047596
8.65369 12.87516 7.41323 0.057642 0.004492 -0.028567
5.50203 12.61795 6.94111 -0.051541 -0.003090 -0.050735
10.10713 13.64215 15.27789 0.012708 0.010284 0.027542
10.67911 0.87544 14.08625 0.036961 0.061864 0.143683
11.60356 17.20368 11.75834 0.056420 -0.007033 0.003913
8.39118 11.91622 16.60701 0.016533 0.010291 0.023858
5.50451 12.34914 15.80657 0.083708 -0.065684 0.138287
15.73327 3.04046 5.55542 0.015486 0.047786 -0.106149
16.46394 5.60663 5.46979 -0.002244 -0.084530 -0.103571
14.52808 1.45286 7.47168 0.022480 0.000868 -0.052806
11.79275 1.56088 7.78873 0.011619 -0.001341 -0.019299
13.32704 0.21681 9.64565 0.003353 0.003448 -0.005002
16.41790 2.90736 14.26355 0.036739 -0.227166 0.328196
13.45171 2.82808 9.57211 0.008912 -0.017125 -0.016440
16.10069 5.57752 13.99343 -0.024442 -0.005394 0.082668
0.00005 4.40711 11.99025 -0.331717 -0.016834 0.167823
14.62884 1.73967 16.17160 0.239667 -0.039361 0.001129
11.98368 2.03831 16.06725 0.062598 -0.012224 0.072867
15.63239 8.11986 5.68103 -0.005157 0.002208 -0.029089
17.11138 8.55854 3.60414 0.009782 -0.008948 -0.017635
14.79559 9.98222 3.60061 -0.002950 0.006200 -0.008624
14.83832 6.40254 7.47085 0.000818 -0.005236 -0.027474
10.26118 5.42988 7.96507 0.011056 0.006657 -0.020465
13.84142 5.42996 10.14226 0.008018 0.000282 -0.000782
12.90067 9.94534 10.26834 0.001307 0.005485 0.004708
17.40760 10.25314 11.57387 -0.050677 0.003325 0.049180
14.84553 10.65634 12.01294 -0.005058 0.004311 0.012114
12.09160 6.31793 15.56215 0.021197 -0.014434 0.061702
13.66330 11.76838 1.50243 0.004216 0.012086 0.001828
15.90808 14.97969 5.66759 0.021432 0.076406 -0.121718
12.90234 14.38066 1.10662 0.010298 0.060303 0.027241
17.39979 15.79595 3.12260 0.231777 0.065520 -0.231620
14.24465 13.87010 7.98683 0.009828 0.002077 -0.024017
11.50975 12.98027 8.22780 0.001893 0.003958 -0.013992
13.37751 12.44417 10.26044 0.000927 0.003498 -0.000460
15.76289 14.59733 14.23402 -0.010086 0.011371 0.062452
17.35248 15.55367 12.27553 -0.235518 0.004942 0.127123
11.51892 12.39014 17.28946 0.032624 0.013181 0.030292
2.14782 0.44560 2.19550 0.004821 0.030750 -0.036715
3.29477 2.11300 4.94555 -0.004119 -0.005368 0.013280
2.45654 5.15830 5.71352 0.000779 -0.004677 0.011837
17.13665 1.28635 8.55333 0.009409 0.002587 0.001604
2.05496 17.16622 9.63831 0.004313 -0.001192 0.025684
2.76007 4.61458 14.97268 0.005919 0.052555 -0.153856
5.82104 5.64963 12.65472 0.133835 0.067479 -0.025538
1.99867 2.73895 15.76239 0.489250 -0.461940 -0.509690
16.62702 0.41219 17.23014 0.148365 0.060799 0.086166
0.53299 8.97932 0.15968 0.008305 -0.017679 -0.000378
6.28070 9.99466 4.05905 -0.003247 0.000460 0.005514
2.80484 10.34140 2.60493 0.000484 -0.002361 -0.000797
5.85876 7.59725 14.24081 -0.014498 -0.011694 0.002654
2.33378 8.07412 16.06384 -0.002878 -0.019092 0.000738
0.72196 11.42800 1.39191 0.000554 -0.003930 0.002141
4.17641 17.36384 8.00554 0.000897 0.019600 -0.003028
0.17664 14.81238 7.80592 0.000869 -0.000400 0.012328
5.28314 15.15948 14.98492 -0.020548 0.002255 -0.027530
1.99589 13.21868 11.02572 0.001923 -0.002083 -0.002329
4.90269 16.46159 10.85427 0.053648 -0.047607 -0.056289
11.44760 2.27402 4.62061 0.005370 0.000689 0.000224
6.42001 2.18281 1.50214 0.009949 -0.012979 0.042470
11.20298 6.44871 5.00937 -0.000488 -0.002691 0.000611
8.23943 2.94593 3.71752 0.002225 -0.005777 0.016909
9.07830 3.43667 7.86385 0.000624 -0.002737 0.002787
8.13841 17.45818 9.05432 0.007695 -0.000358 -0.023185
11.09062 4.59939 10.31069 -0.004469 0.001160 0.012336
8.29143 2.75175 15.42638 0.024209 0.022128 -0.024227
8.82941 17.22992 17.22214 -0.023879 0.002707 -0.009350
7.50840 7.62286 6.62087 0.003263 0.006195 -0.001195
4.60511 5.74329 8.41778 0.006198 0.004950 0.012013
12.92668 11.75537 13.63632 0.001760 0.000937 0.002227
8.02117 10.55523 12.10517 -0.002353 0.004477 0.001800
8.67556 7.71636 17.49570 0.001624 0.000106 0.005636
11.47875 15.24589 6.91703 -0.002852 0.000791 0.001797
9.35972 16.97903 6.56192 0.004450 0.004247 0.003166
11.03713 17.07922 2.67792 0.003107 0.001124 0.002444
7.42775 12.08916 10.09180 -0.002643 0.004480 0.000330
7.92017 14.83580 12.09082 -0.007063 0.002939 0.002578
8.50905 1.48718 11.99359 -0.006647 0.007374 -0.005379
13.83892 16.58967 17.12637 -0.009935 -0.011358 -0.006528
14.18064 2.16404 1.76300 -0.002715 -0.004438 0.014700
0.22637 2.85420 3.74771 -0.006132 -0.005826 0.019531
13.55731 4.46328 4.56374 0.011569 -0.004337 0.003653
13.93368 3.48067 13.12140 -0.019293 -0.004414 -0.001455
14.29477 4.78199 0.25086 0.000513 0.000133 -0.000521
12.05112 9.01860 17.04503 0.000521 -0.003445 0.000796
16.27694 10.80430 6.52497 0.001860 -0.000416 0.003016
16.72250 7.84092 12.70809 0.002868 -0.000329 0.009045
0.08131 12.14367 13.72814 -0.000676 0.000593 0.001719
15.18747 8.06134 16.77823 -0.000527 0.003338 0.004600
15.33129 0.80027 4.23469 -0.005355 -0.004137 -0.004915
15.22283 14.74953 2.39790 -0.007010 -0.011538 0.000603
11.52991 14.60593 10.60396 -0.002308 0.002630 0.000498
14.54913 0.08259 13.94141 0.007302 0.013786 0.025778
13.64918 15.17179 12.57877 -0.005503 -0.000656 0.000009
14.26990 11.73639 16.04700 0.001582 0.003530 0.005380
2.83011 17.00291 0.89614 0.048713 -0.071702 0.073714
5.01762 2.19884 4.72481 0.006995 -0.003382 0.005576
2.72197 6.40768 4.52960 -0.005272 0.006420 0.002117
0.61592 0.85326 7.17988 -0.000005 -0.006440 0.010990
1.05804 0.47662 10.87149 0.044695 -0.015794 0.022262
2.72869 6.02833 13.97220 -0.057688 0.105715 0.146395
6.27365 4.07474 13.21275 -0.085120 -0.028390 -0.064267
3.39789 2.54642 16.78232 -0.481466 0.605962 0.951119
0.26647 0.03376 15.97352 -0.030519 -0.059976 -0.040556
16.86896 8.04953 1.06168 -0.005828 0.008398 0.006368
5.26691 11.21282 3.35522 0.002731 -0.001432 0.003428
1.79651 10.63408 3.97172 -0.002863 -0.002645 0.007191
4.24367 8.25477 13.91418 0.000847 -0.017428 0.012568
3.20146 7.72932 0.04071 -0.030054 0.024240 0.028938
17.29565 11.52683 2.88643 -0.001138 -0.004306 0.007210
5.09458 17.34903 6.48077 0.004467 -0.003132 0.005218
16.80060 13.95067 9.04167 0.004873 -0.000237 -0.002335
5.65314 14.35380 13.49055 0.021672 -0.054062 0.025088
2.85103 14.37043 10.06567 -0.013298 0.010331 0.014358
4.88020 0.46410 11.72901 -0.059959 -0.005764 0.230931
11.82432 3.49932 5.78478 -0.003727 0.003911 0.002529
6.33916 3.40343 0.25044 0.020551 0.057972 -0.011412
9.59394 6.71839 4.41200 0.000651 0.003935 0.004436
7.91802 4.38505 4.66043 -0.001567 -0.002057 -0.008419
8.23543 2.62518 6.58554 0.002631 0.003501 -0.004507
6.41431 17.32071 8.88054 -0.002351 -0.003869 0.026802
11.14557 3.00954 10.98712 -0.003593 0.003090 0.005016
9.36027 3.86210 16.23230 -0.012837 -0.004254 0.001562
7.53966 17.41529 0.94072 0.005181 -0.009597 0.006978
8.48774 8.36338 7.84778 0.000454 0.000361 0.001695
5.72768 5.64505 7.08615 0.003760 -0.003597 0.004784
11.53162 12.14308 12.66419 -0.001451 -0.001351 0.002954
7.77778 8.79967 12.01567 -0.005397 -0.002272 -0.001531
7.67148 7.97660 16.05599 -0.006197 -0.008437 0.004855
11.96712 14.11387 5.69832 0.001828 -0.000295 0.004737
9.20674 0.45352 5.13285 -0.002475 0.002163 0.006239
12.42086 17.27854 3.71166 -0.002802 0.001462 0.007100
5.72984 12.20671 9.71226 0.001534 0.002898 0.003826
7.06651 14.59485 10.54611 -0.007780 0.015827 0.012336
8.18003 0.43236 13.34917 0.005059 -0.010086 -0.013003
12.13433 16.79403 17.35819 0.007688 0.000341 -0.000031
12.47800 1.85419 1.86970 0.005548 -0.004962 0.002557
16.61133 3.22326 2.47663 -0.024886 -0.005780 0.010088
14.18380 5.80672 3.64923 0.002290 -0.003200 0.001601
14.87276 2.50739 12.03337 0.002383 -0.000062 -0.003247
14.23243 6.19147 1.27631 -0.002836 -0.000483 0.004287
12.93327 8.58137 1.02753 -0.000408 0.001458 0.005394
0.31818 10.15222 5.96061 -0.001243 0.000627 0.006082
0.23893 8.66414 13.84372 -0.001142 -0.005138 -0.000830
17.08408 11.06555 14.99139 0.001126 -0.001845 0.004081
14.24371 8.22849 15.33189 -0.000085 -0.005408 0.003547
17.03243 0.72423 4.52831 0.004959 0.006634 0.011399
14.06257 14.70897 3.69175 0.006205 0.005401 0.002934
11.55248 15.52990 9.11606 -0.001226 0.000958 0.008746
15.79992 0.71375 12.92180 0.027820 0.004398 0.037313
14.66771 14.92743 11.20480 0.013519 0.007752 0.012227
13.59723 13.22883 15.45681 0.001465 -0.000757 0.003728
0.28893 16.96969 9.61776 -0.013301 -0.008885 -0.017166
5.14861 8.79609 15.34428 0.008254 0.023351 -0.005535
16.57887 10.76457 1.44815 -0.000760 0.001636 0.003036
3.32280 17.43531 6.45000 -0.007326 -0.004372 0.004546
7.22345 0.33037 16.74849 0.029240 -0.039325 -0.014094
8.80270 9.61454 10.81195 0.001219 -0.000210 0.001944
8.32656 6.35754 16.39008 0.000794 0.003290 -0.003726
8.73549 15.20213 10.55252 0.017581 -0.026680 -0.000242
11.35757 7.84337 0.68199 -0.001352 0.002441 0.004089
17.07689 11.54135 5.11708 -0.000141 0.001437 0.004945
1.05898 4.30352 7.32607 -0.004393 -0.002013 -0.028769
4.03509 12.56543 11.20951 -0.002719 -0.007416 0.004856
2.98241 12.61908 2.99845 -0.013016 0.023629 -0.007932
13.02951 6.77394 13.23542 0.005564 0.001409 0.011045
9.81405 10.04557 13.02717 0.003310 0.000792 0.007346
14.38062 12.44509 3.83928 0.002131 0.002839 0.002552
15.29130 12.60070 6.14349 -0.005476 0.004880 -0.009152
1.51212 12.17674 0.04632 -0.010678 0.023847 0.032740
5.20365 1.54821 15.21091 3.658913 0.156481 3.658588
6.79297 14.20253 8.32851 0.002584 -0.006649 -0.010952
11.61515 7.96197 6.76612 0.002327 0.001035 0.008956
10.25461 10.96603 6.21744 -0.002440 0.001630 0.008383
11.90891 11.26603 4.43245 -0.005940 0.000347 0.012152
8.53540 10.78259 3.48001 0.000823 -0.001284 0.003796
9.76681 9.93079 2.50215 -0.000082 0.000291 0.003905
8.80784 11.23977 1.76494 -0.000368 -0.000817 0.001127
14.97448 6.01037 8.35394 0.005092 -0.001469 0.011088
10.93413 4.83383 7.59381 -0.001229 -0.001357 0.011290
13.14865 5.92816 9.67432 -0.003453 -0.002861 0.008537
12.65000 8.06887 9.52187 -0.001036 0.000061 0.004692
13.90414 8.18239 10.79823 0.000869 0.000475 0.002471
12.16474 8.24325 11.23577 -0.001168 0.000238 0.001128
5.27827 14.04824 2.20496 0.016230 -0.023350 -0.004600
10.20084 2.92381 1.69633 0.010131 0.012944 0.014695
7.46833 14.00510 0.41146 0.004498 -0.017628 0.000604
7.48179 15.39929 3.01468 -0.001428 -0.004544 0.004151
8.41010 16.93048 3.00754 0.000613 0.010577 0.009289
8.99741 15.53505 2.05618 0.000887 -0.004967 -0.001226
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 6 DIRECTION 3 : -0.754 -0.211 2.789
rigid augmentation : 0.000 0.000 0.200
ionic contribution : 0.000 0.000 4.000
Berry contribution : -0.754 -0.211 -1.411
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 19/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 22( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258972; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01018424
-V(xc)+E(xc) XCENC = 0.02062926
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03788174
---------------------------------------------------
free energy TOTEN = -0.02743672 eV
energy without entropy = -0.02743672
----------------------------------------- Iteration 22( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258972; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258932; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10378E+01 rms(broyden)= 0.10364E+01
rms(prec ) = 0.11203E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01018424
-V(xc)+E(xc) XCENC = 0.02062926
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01456130
---------------------------------------------------
free energy TOTEN = -0.00411628 eV
energy without entropy = -0.00411628
----------------------------------------- Iteration 22( 3) ---------------------------------------
BZINTS: Fermi energy: 0.259022; 1190.000000 electrons
Band energy:-0.912014E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258882; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.62294E+00 rms(broyden)= 0.62279E+00
rms(prec ) = 0.68138E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4035
2.4035
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00927571
-V(xc)+E(xc) XCENC = 0.01731618
PAW double counting = 0.01105516 -0.01105797
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01445171
---------------------------------------------------
free energy TOTEN = -0.00641406 eV
energy without entropy = -0.00641406
----------------------------------------- Iteration 22( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259100; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258804; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10457E+00 rms(broyden)= 0.10435E+00
rms(prec ) = 0.14036E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9534
1.4881 2.4186
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00830733
-V(xc)+E(xc) XCENC = 0.01468945
PAW double counting = 0.06616548 -0.06618166
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01462731
---------------------------------------------------
free energy TOTEN = -0.00826137 eV
energy without entropy = -0.00826137
----------------------------------------- Iteration 22( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259120; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258784; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.58629E-01 rms(broyden)= 0.58584E-01
rms(prec ) = 0.80366E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7317
2.5867 1.8499 0.7586
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00793717
-V(xc)+E(xc) XCENC = 0.01406585
PAW double counting = 0.06923446 -0.06925036
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01489065
---------------------------------------------------
free energy TOTEN = -0.00877786 eV
energy without entropy = -0.00877786
----------------------------------------- Iteration 22( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259134; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258771; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28064E-01 rms(broyden)= 0.28042E-01
rms(prec ) = 0.43451E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7325
2.8119 2.1880 1.0925 0.8378
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00783210
-V(xc)+E(xc) XCENC = 0.01389195
PAW double counting = 0.07095344 -0.07097003
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01496263
---------------------------------------------------
free energy TOTEN = -0.00891937 eV
energy without entropy = -0.00891937
----------------------------------------- Iteration 22( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259146; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258758; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.15797E-01 rms(broyden)= 0.15784E-01
rms(prec ) = 0.24613E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9227
3.3868 2.4612 1.8989 0.9333 0.9333
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00779014
-V(xc)+E(xc) XCENC = 0.01387675
PAW double counting = 0.07070764 -0.07072436
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01499397
---------------------------------------------------
free energy TOTEN = -0.00892409 eV
energy without entropy = -0.00892409
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0255 0.00000
5 0.1389 0.00000
6 0.2819 0.00000
7 0.0230 0.00000
8 0.1148 0.00000
9 0.1992 0.00000
10 0.0615 0.00000
11 0.0036 0.00000
12 -0.0109 0.00000
13 -0.0826 0.00000
14 -0.0090 0.00000
15 -0.2317 0.00000
16 -0.2055 0.00000
17 -0.0277 0.00000
18 0.4761 0.00000
19 -0.0527 0.00000
20 -0.0069 0.00000
21 0.0108 0.00000
22 0.2413 0.00000
23 0.1658 0.00000
24 -0.0413 0.00000
25 0.4267 0.00000
26 0.1143 0.00000
27 0.0762 0.00000
28 -0.1944 0.00000
29 0.0797 0.00000
30 -0.0739 0.00000
31 -0.6249 0.00000
32 -0.3783 0.00000
33 0.0892 0.00000
34 0.1334 0.00000
35 0.0822 0.00000
36 -0.3805 0.00000
37 -0.1324 0.00000
38 -0.0583 0.00000
39 -0.3516 0.00000
40 0.2378 0.00000
41 0.0141 0.00000
42 0.1730 0.00000
43 0.1334 0.00000
44 0.0084 0.00000
45 -0.5189 0.00000
46 0.0428 0.00000
47 0.3026 0.00000
48 -0.2590 0.00000
49 0.0306 0.00000
50 1.1027 0.00000
51 0.3962 0.00000
52 0.0510 0.00000
53 0.0730 0.00000
54 -0.1377 0.00000
55 0.0464 0.00000
56 -0.7457 0.00000
57 0.0410 0.00000
58 -0.0021 0.00000
59 -0.4580 0.00000
60 0.9164 0.00000
61 -0.1075 0.00000
62 0.0961 0.00000
63 -0.3496 0.00000
64 -0.5296 0.00000
65 0.0403 0.00000
66 -0.1801 0.00000
67 0.7350 0.00000
68 -0.1407 0.00000
69 0.0312 0.00000
70 0.0052 0.00000
71 0.0973 0.00000
72 0.0502 0.00000
73 0.0375 0.00000
74 0.0158 0.00000
75 -0.0585 0.00000
76 -0.0134 0.00000
77 -0.0291 0.00000
78 0.0017 0.00000
79 0.1674 0.00000
80 0.0546 0.00000
81 0.1046 0.00000
82 0.0311 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0812 0.00000
89 0.1108 0.00000
90 -0.0116 0.00000
91 -0.0082 0.00000
92 -0.0886 0.00000
93 0.0402 0.00000
94 -0.2171 0.00000
95 0.2781 0.00000
96 0.1680 0.00000
97 0.0343 0.00000
98 -0.0581 0.00000
99 -0.0337 0.00000
100 -0.4084 0.00000
101 -0.0893 0.00000
102 0.0403 0.00000
103 -0.0470 0.00000
104 0.0625 0.00000
105 -0.0108 0.00000
106 0.0862 0.00000
107 0.1481 0.00000
108 0.0621 0.00000
109 0.0869 0.00000
110 -0.1055 0.00000
111 -0.0445 0.00000
112 0.0038 0.00000
113 0.1029 0.00000
114 -0.0817 0.00000
115 -0.0152 0.00000
116 -0.1823 0.00000
117 -0.1231 0.00000
118 0.0731 0.00000
119 0.0416 0.00000
120 0.0762 0.00000
121 0.0597 0.00000
122 -0.0618 0.00000
123 0.0339 0.00000
124 -0.0165 0.00000
125 -0.1256 0.00000
126 -0.0941 0.00000
127 -0.1553 0.00000
128 -0.0915 0.00000
129 0.0895 0.00000
130 0.0364 0.00000
131 0.0220 0.00000
132 -0.1184 0.00000
133 0.0463 0.00000
134 -0.0426 0.00000
135 0.1305 0.00000
136 -0.0813 0.00000
137 -0.4938 0.00000
138 -0.1571 0.00000
139 0.0390 0.00000
140 0.0945 0.00000
141 -0.0479 0.00000
142 -0.1185 0.00000
143 0.0839 0.00000
144 0.1362 0.00000
145 0.1394 0.00000
146 -0.0671 0.00000
147 -0.0383 0.00000
148 0.1419 0.00000
149 0.1241 0.00000
150 0.1357 0.00000
151 0.1265 0.00000
152 -0.0469 0.00000
153 0.1691 0.00000
154 0.1538 0.00000
155 0.1236 0.00000
156 0.0150 0.00000
157 0.0795 0.00000
158 0.0136 0.00000
159 -0.0671 0.00000
160 0.1059 0.00000
161 -0.0639 0.00000
162 0.0117 0.00000
163 0.0252 0.00000
164 0.0052 0.00000
165 -0.0371 0.00000
166 -0.0455 0.00000
167 0.0262 0.00000
168 -0.0287 0.00000
169 -0.0547 0.00000
170 -0.1456 0.00000
171 -0.0290 0.00000
172 -0.0497 0.00000
173 -0.0984 0.00000
174 0.0566 0.00000
175 0.1622 0.00000
176 -0.0309 0.00000
177 0.1665 0.00000
178 -0.2675 0.00000
179 -0.0068 0.00000
180 0.1489 0.00000
181 0.0098 0.00000
182 0.0282 0.00000
183 0.0387 0.00000
184 -0.0055 0.00000
185 -0.0255 0.00000
186 0.0211 0.00000
187 -0.2409 0.00000
188 0.2104 0.00000
189 0.0278 0.00000
190 0.0253 0.00000
191 -0.1248 0.00000
192 -0.1268 0.00000
193 0.0326 0.00000
194 0.0762 0.00000
195 0.1676 0.00000
196 0.0752 0.00000
197 0.0993 0.00000
198 0.3378 0.00000
199 -0.0260 0.00000
200 0.1197 0.00000
201 0.0481 0.00000
202 -0.0698 0.00000
203 0.2612 0.00000
204 -0.2165 0.00000
205 0.2542 0.00000
206 0.0836 0.00000
207 -0.0457 0.00000
208 -0.1138 0.00000
209 -0.0514 0.00000
210 0.1008 0.00000
211 0.1549 0.00000
212 0.2955 0.00000
213 0.2003 0.00000
214 0.2226 0.00000
215 -0.3506 0.00000
216 -0.0362 0.00000
217 -0.1517 0.00000
218 0.1106 0.00000
219 0.0189 0.00000
220 0.0302 0.00000
221 0.0387 0.00000
222 -0.0605 0.00000
223 -0.2007 0.00000
224 -0.4067 0.00000
225 0.1728 0.00000
226 0.1192 0.00000
227 -0.0295 0.00000
228 0.1071 0.00000
229 0.0891 0.00000
230 -0.0048 0.00000
231 -0.0549 0.00000
232 -0.0980 0.00000
233 -0.0650 0.00000
234 0.0459 0.00000
235 -0.1601 0.00000
236 -0.0059 0.00000
237 0.0114 0.00000
238 -0.1000 0.00000
239 -0.0171 0.00000
240 -0.0223 0.00000
241 -0.0320 0.00000
242 -0.0416 0.00000
243 0.0455 0.00000
244 -0.0144 0.00000
245 -0.0143 0.00000
246 0.0893 0.00000
247 0.1636 0.00000
248 0.1285 0.00000
249 0.0404 0.00000
250 0.1863 0.00000
251 -0.1065 0.00000
252 -0.1634 0.00000
253 0.0130 0.00000
254 0.0555 0.00000
255 -0.0625 0.00000
256 0.0282 0.00000
257 0.0699 0.00000
258 0.0907 0.00000
259 0.0484 0.00000
260 -0.0388 0.00000
261 0.1815 0.00000
262 0.0089 0.00000
263 0.0302 0.00000
264 0.0446 0.00000
265 0.0229 0.00000
266 -0.0629 0.00000
267 0.0152 0.00000
268 0.0840 0.00000
269 -0.0146 0.00000
270 0.0684 0.00000
271 -0.0188 0.00000
272 0.0486 0.00000
273 0.0495 0.00000
274 0.0204 0.00000
275 -0.0236 0.00000
276 0.0206 0.00000
277 -0.0174 0.00000
278 -0.0947 0.00000
279 0.0975 0.00000
280 -0.0051 0.00000
281 -0.0891 0.00000
282 -0.1359 0.00000
283 0.0453 0.00000
284 -0.0299 0.00000
285 0.0845 0.00000
286 0.0287 0.00000
287 0.0776 0.00000
288 -0.1675 0.00000
289 0.0817 0.00000
290 0.0381 0.00000
291 -0.0748 0.00000
292 0.0297 0.00000
293 0.0055 0.00000
294 -0.2395 0.00000
295 0.0217 0.00000
296 0.0020 0.00000
297 -0.0658 0.00000
298 -0.0036 0.00000
299 -0.0156 0.00000
300 0.0006 0.00000
301 0.0098 0.00000
302 -0.0498 0.00000
303 -0.0087 0.00000
304 0.0375 0.00000
305 0.0463 0.00000
306 0.0571 0.00000
307 -0.0585 0.00000
308 -0.0367 0.00000
309 -0.1350 0.00000
310 0.0505 0.00000
311 -0.0491 0.00000
312 0.0013 0.00000
313 -0.0538 0.00000
314 0.0058 0.00000
315 -0.0324 0.00000
316 0.0456 0.00000
317 0.0025 0.00000
318 -0.0135 0.00000
319 0.0355 0.00000
320 -0.1174 0.00000
321 -0.0323 0.00000
322 0.0457 0.00000
323 -0.1114 0.00000
324 0.0365 0.00000
325 -0.1151 0.00000
326 -0.0113 0.00000
327 -0.0362 0.00000
328 -0.0203 0.00000
329 -0.0215 0.00000
330 -0.1789 0.00000
331 -0.0569 0.00000
332 -0.1320 0.00000
333 -0.0020 0.00000
334 0.0539 0.00000
335 -0.0605 0.00000
336 0.0008 0.00000
337 -0.0446 0.00000
338 -0.0096 0.00000
339 -0.1211 0.00000
340 0.0379 0.00000
341 0.0479 0.00000
342 0.0382 0.00000
343 0.0348 0.00000
344 0.0169 0.00000
345 -0.0181 0.00000
346 -0.1050 0.00000
347 -0.0550 0.00000
348 0.0833 0.00000
349 0.0713 0.00000
350 -0.0976 0.00000
351 0.1734 0.00000
352 0.0281 0.00000
353 -0.0607 0.00000
354 0.0171 0.00000
355 0.0915 0.00000
356 0.0909 0.00000
357 0.1012 0.00000
358 0.0952 0.00000
359 -0.0241 0.00000
360 0.0456 0.00000
361 0.0788 0.00000
362 0.0485 0.00000
363 -0.1935 0.00000
364 0.0944 0.00000
365 -0.0111 0.00000
366 -0.0222 0.00000
367 -0.2086 0.00000
368 0.0564 0.00000
369 0.0467 0.00000
370 -0.0420 0.00000
371 0.0454 0.00000
372 0.0441 0.00000
373 -0.0403 0.00000
374 0.0122 0.00000
375 0.0176 0.00000
376 0.1529 0.00000
377 0.0120 0.00000
378 -0.1312 0.00000
379 -0.0480 0.00000
380 -0.0003 0.00000
381 -0.0440 0.00000
382 0.0650 0.00000
383 0.0714 0.00000
384 -0.0045 0.00000
385 0.2722 0.00000
386 -0.0569 0.00000
387 0.0586 0.00000
388 -0.0205 0.00000
389 0.0319 0.00000
390 -0.1206 0.00000
391 0.0183 0.00000
392 -0.1476 0.00000
393 0.0651 0.00000
394 0.0170 0.00000
395 -0.0313 0.00000
396 0.1081 0.00000
397 -0.0138 0.00000
398 0.0495 0.00000
399 0.0326 0.00000
400 0.0192 0.00000
401 -0.0275 0.00000
402 -0.0719 0.00000
403 0.2141 0.00000
404 -0.0825 0.00000
405 0.1022 0.00000
406 0.1771 0.00000
407 -0.0242 0.00000
408 0.1905 0.00000
409 -0.0285 0.00000
410 0.0274 0.00000
411 0.1430 0.00000
412 -0.5176 0.00000
413 0.0399 0.00000
414 0.1417 0.00000
415 0.0264 0.00000
416 0.0505 0.00000
417 -0.0000 0.00000
418 -0.1132 0.00000
419 -0.0778 0.00000
420 -0.0441 0.00000
421 -0.0218 0.00000
422 -0.0041 0.00000
423 0.0252 0.00000
424 -0.0216 0.00000
425 -0.0415 0.00000
426 -0.0085 0.00000
427 0.0277 0.00000
428 0.0492 0.00000
429 0.0076 0.00000
430 0.0823 0.00000
431 -0.0510 0.00000
432 0.0146 0.00000
433 0.2410 0.00000
434 -0.0015 0.00000
435 -0.0163 0.00000
436 -0.0392 0.00000
437 -0.1572 0.00000
438 0.0262 0.00000
439 0.0526 0.00000
440 0.0304 0.00000
441 0.1103 0.00000
442 0.0475 0.00000
443 0.0999 0.00000
444 -0.0025 0.00000
445 0.0323 0.00000
446 -0.0869 0.00000
447 0.0292 0.00000
448 -0.0161 0.00000
449 0.0433 0.00000
450 -0.0867 0.00000
451 -0.0212 0.00000
452 0.0522 0.00000
453 0.0196 0.00000
454 0.0434 0.00000
455 -0.0503 0.00000
456 0.0362 0.00000
457 -0.0204 0.00000
458 0.0471 0.00000
459 0.0084 0.00000
460 -0.0601 0.00000
461 0.1344 0.00000
462 0.0461 0.00000
463 -0.0398 0.00000
464 0.0105 0.00000
465 0.0073 0.00000
466 -0.0399 0.00000
467 -0.0118 0.00000
468 0.0358 0.00000
469 0.1186 0.00000
470 -0.0442 0.00000
471 -0.0018 0.00000
472 0.1187 0.00000
473 -0.0057 0.00000
474 -0.0329 0.00000
475 -0.0633 0.00000
476 -0.0623 0.00000
477 -0.0348 0.00000
478 0.0375 0.00000
479 -0.0110 0.00000
480 -0.0719 0.00000
481 -0.0967 0.00000
482 0.0313 0.00000
483 -0.1394 0.00000
484 -0.0245 0.00000
485 0.0578 0.00000
486 -0.0148 0.00000
487 0.0756 0.00000
488 -0.0580 0.00000
489 -0.0956 0.00000
490 -0.0130 0.00000
491 0.0522 0.00000
492 0.1549 0.00000
493 -0.0442 0.00000
494 -0.0293 0.00000
495 -0.0556 0.00000
496 -0.0249 0.00000
497 0.0254 0.00000
498 0.0519 0.00000
499 -0.0073 0.00000
500 -0.0034 0.00000
501 -0.0661 0.00000
502 0.0374 0.00000
503 0.0496 0.00000
504 -0.0816 0.00000
505 0.1370 0.00000
506 0.0858 0.00000
507 0.0133 0.00000
508 -0.0739 0.00000
509 0.0880 0.00000
510 0.0193 0.00000
511 0.0203 0.00000
512 0.0656 0.00000
513 -0.0099 0.00000
514 -0.0022 0.00000
515 0.0508 0.00000
516 0.0627 0.00000
517 0.1294 0.00000
518 0.1023 0.00000
519 0.0382 0.00000
520 0.0276 0.00000
521 0.0863 0.00000
522 0.0187 0.00000
523 0.1109 0.00000
524 0.0051 0.00000
525 0.0203 0.00000
526 -0.0271 0.00000
527 -0.0208 0.00000
528 0.0257 0.00000
529 -0.0027 0.00000
530 0.0312 0.00000
531 0.0514 0.00000
532 -0.0496 0.00000
533 -0.0006 0.00000
534 -0.0078 0.00000
535 -0.0127 0.00000
536 -0.0242 0.00000
537 0.0204 0.00000
538 -0.0848 0.00000
539 0.1508 0.00000
540 0.0993 0.00000
541 0.0323 0.00000
542 -0.1287 0.00000
543 0.0040 0.00000
544 0.0771 0.00000
545 0.0092 0.00000
546 0.0027 0.00000
547 0.0762 0.00000
548 -0.0135 0.00000
549 -0.0409 0.00000
550 -0.0096 0.00000
551 0.0425 0.00000
552 0.0210 0.00000
553 -0.0244 0.00000
554 0.0283 0.00000
555 -0.0188 0.00000
556 -0.0429 0.00000
557 -0.0277 0.00000
558 0.0026 0.00000
559 -0.0105 0.00000
560 -0.0209 0.00000
561 0.0098 0.00000
562 -0.0090 0.00000
563 0.0337 0.00000
564 -0.0203 0.00000
565 -0.0689 0.00000
566 0.0047 0.00000
567 -0.0537 0.00000
568 -0.0048 0.00000
569 -0.1668 0.00000
570 -0.0340 0.00000
571 0.0185 0.00000
572 -0.0121 0.00000
573 -0.2238 0.00000
574 0.0093 0.00000
575 -0.0233 0.00000
576 -0.0294 0.00000
577 -0.0807 0.00000
578 -0.1189 0.00000
579 0.0090 0.00000
580 -0.0211 0.00000
581 0.0127 0.00000
582 -0.0775 0.00000
583 0.0498 0.00000
584 -0.0763 0.00000
585 -0.0298 0.00000
586 0.0376 0.00000
587 0.0589 0.00000
588 0.1322 0.00000
589 0.0024 0.00000
590 -0.0057 0.00000
591 0.0057 0.00000
592 -0.0249 0.00000
593 -0.0280 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0038 0.00000
597 0.0227 0.00000
598 0.0065 0.00000
599 0.0157 0.00000
600 0.0746 0.00000
601 0.0132 0.00000
602 0.0830 0.00000
603 0.0162 0.00000
604 0.0282 0.00000
605 0.1198 0.00000
606 -0.0720 0.00000
607 0.0357 0.00000
608 0.0279 0.00000
609 0.0556 0.00000
610 0.0467 0.00000
611 -0.0318 0.00000
612 0.0109 0.00000
613 -0.0224 0.00000
614 0.0951 0.00000
615 0.0178 0.00000
616 0.0031 0.00000
617 -0.1253 0.00000
618 0.0237 0.00000
619 0.0748 0.00000
620 -0.0103 0.00000
621 0.0413 0.00000
622 0.0297 0.00000
623 -0.0222 0.00000
624 -0.0029 0.00000
625 0.0851 0.00000
626 0.0202 0.00000
627 -0.0822 0.00000
628 0.0248 0.00000
629 0.0224 0.00000
630 0.0721 0.00000
631 0.0170 0.00000
632 -0.0234 0.00000
633 0.0073 0.00000
634 -0.0138 0.00000
635 0.0469 0.00000
636 0.0570 0.00000
637 0.0242 0.00000
638 -0.0435 0.00000
639 -0.0244 0.00000
640 -0.0103 0.00000
641 -0.0645 0.00000
642 -0.0111 0.00000
643 0.0044 0.00000
644 -0.0104 0.00000
645 -0.0218 0.00000
646 -0.0398 0.00000
647 0.0132 0.00000
648 0.0234 0.00000
649 -0.0635 0.00000
650 0.0080 0.00000
651 0.0428 0.00000
652 -0.0102 0.00000
653 -0.0077 0.00000
654 0.0135 0.00000
655 -0.0586 0.00000
656 0.0366 0.00000
657 0.0446 0.00000
658 0.0101 0.00000
659 0.0162 0.00000
660 -0.0484 0.00000
661 0.0199 0.00000
662 0.0042 0.00000
663 0.0351 0.00000
664 0.0547 0.00000
665 -0.0077 0.00000
666 0.0189 0.00000
667 -0.0473 0.00000
668 -0.0608 0.00000
669 -0.0630 0.00000
670 0.0292 0.00000
671 -0.0175 0.00000
672 0.0400 0.00000
673 0.0247 0.00000
674 -0.0349 0.00000
675 0.0002 0.00000
676 -0.0011 0.00000
677 -0.0466 0.00000
678 0.0395 0.00000
679 -0.0100 0.00000
680 0.0693 0.00000
681 0.0037 0.00000
682 -0.0699 0.00000
683 0.0352 0.00000
684 -0.0091 0.00000
685 0.0471 0.00000
686 0.0758 0.00000
687 0.0022 0.00000
688 -0.0177 0.00000
689 -0.0147 0.00000
690 -0.0034 0.00000
691 -0.0625 0.00000
692 0.0485 0.00000
693 0.0503 0.00000
694 0.0190 0.00000
695 -0.0245 0.00000
696 0.0535 0.00000
697 -0.0602 0.00000
698 0.0260 0.00000
699 0.0062 0.00000
700 0.0704 0.00000
701 0.0171 0.00000
702 -0.0046 0.00000
703 0.0465 0.00000
704 0.0345 0.00000
705 -0.0076 0.00000
706 -0.0431 0.00000
707 -0.0340 0.00000
708 -0.0563 0.00000
709 -0.0306 0.00000
710 0.0370 0.00000
711 0.0354 0.00000
712 0.1164 0.00000
713 -0.0634 0.00000
714 -0.0911 0.00000
715 0.0522 0.00000
716 -0.0501 0.00000
717 0.0279 0.00000
718 0.1216 0.00000
719 0.0222 0.00000
720 -0.0116 0.00000
721 -0.0045 0.00000
722 -0.0714 0.00000
723 0.0187 0.00000
724 -0.0136 0.00000
725 0.0585 0.00000
726 -0.0259 0.00000
727 -0.0049 0.00000
728 -0.0254 0.00000
729 -0.0242 0.00000
730 0.0281 0.00000
731 -0.0009 0.00000
732 -0.0925 0.00000
733 0.0185 0.00000
734 -0.0789 0.00000
735 -0.0706 0.00000
736 -0.0663 0.00000
737 0.0443 0.00000
738 0.0534 0.00000
739 -0.0356 0.00000
740 0.0306 0.00000
741 -0.0118 0.00000
742 0.0524 0.00000
743 -0.0039 0.00000
744 -0.0099 0.00000
745 -0.0166 0.00000
746 -0.0458 0.00000
747 -0.0199 0.00000
748 -0.0460 0.00000
749 -0.0231 0.00000
750 -0.0381 0.00000
751 -0.0058 0.00000
752 -0.0346 0.00000
753 0.0414 0.00000
754 0.0659 0.00000
755 -0.0058 0.00000
756 -0.0345 0.00000
757 -0.0562 0.00000
758 -0.0050 0.00000
759 0.0084 0.00000
760 -0.0204 0.00000
761 -0.0121 0.00000
762 0.0050 0.00000
763 -0.0012 0.00000
764 -0.0156 0.00000
765 -0.0511 0.00000
766 -0.0098 0.00000
767 -0.0140 0.00000
768 -0.0255 0.00000
769 -0.0197 0.00000
770 -0.0171 0.00000
771 -0.0105 0.00000
772 0.0305 0.00000
773 0.0057 0.00000
774 0.0026 0.00000
775 0.0283 0.00000
776 0.0133 0.00000
777 -0.0047 0.00000
778 -0.0116 0.00000
779 0.0111 0.00000
780 -0.0172 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0214 0.00000
5 0.1430 0.00000
6 0.2830 0.00000
7 0.0217 0.00000
8 0.1149 0.00000
9 0.1989 0.00000
10 0.0624 0.00000
11 0.0035 0.00000
12 -0.0113 0.00000
13 -0.0826 0.00000
14 -0.0090 0.00000
15 -0.2341 0.00000
16 -0.2073 0.00000
17 -0.0285 0.00000
18 0.4770 0.00000
19 -0.0502 0.00000
20 -0.0095 0.00000
21 0.0113 0.00000
22 0.2361 0.00000
23 0.2069 0.00000
24 0.1835 0.00000
25 0.1615 0.00000
26 0.0570 0.00000
27 0.0901 0.00000
28 -0.1715 0.00000
29 0.1494 0.00000
30 -0.0156 0.00000
31 -0.7750 0.00000
32 -0.2922 0.00000
33 0.0893 0.00000
34 0.1316 0.00000
35 0.0822 0.00000
36 -0.3946 0.00000
37 -0.1295 0.00000
38 -0.0500 0.00000
39 -0.3706 0.00000
40 0.2376 0.00000
41 0.0194 0.00000
42 0.1164 0.00000
43 0.1332 0.00000
44 -0.0605 0.00000
45 -0.2764 0.00000
46 -0.0682 0.00000
47 0.2878 0.00000
48 -0.2573 0.00000
49 0.4320 0.00000
50 0.5547 0.00000
51 0.4259 0.00000
52 0.1468 0.00000
53 0.0956 0.00000
54 -0.1117 0.00000
55 -0.0680 0.00000
56 -0.6788 0.00000
57 0.0402 0.00000
58 -0.0305 0.00000
59 -0.4867 0.00000
60 0.9778 0.00000
61 -0.0670 0.00000
62 -0.0647 0.00000
63 0.0694 0.00000
64 -0.7384 0.00000
65 -0.0137 0.00000
66 -0.1703 0.00000
67 0.0403 0.00000
68 0.5471 0.00000
69 -0.0152 0.00000
70 0.0972 0.00000
71 0.0157 0.00000
72 0.0505 0.00000
73 0.0545 0.00000
74 -0.0017 0.00000
75 -0.0766 0.00000
76 0.0112 0.00000
77 -0.0313 0.00000
78 -0.0126 0.00000
79 0.1827 0.00000
80 0.0532 0.00000
81 0.1050 0.00000
82 0.0310 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0811 0.00000
89 0.1137 0.00000
90 -0.0141 0.00000
91 -0.0102 0.00000
92 -0.0860 0.00000
93 0.0187 0.00000
94 -0.1794 0.00000
95 0.2468 0.00000
96 0.1820 0.00000
97 0.0303 0.00000
98 -0.0619 0.00000
99 -0.0324 0.00000
100 -0.3796 0.00000
101 -0.1137 0.00000
102 0.0626 0.00000
103 -0.1052 0.00000
104 0.1026 0.00000
105 0.0048 0.00000
106 0.0859 0.00000
107 0.1235 0.00000
108 0.0071 0.00000
109 0.0487 0.00000
110 0.1439 0.00000
111 -0.1785 0.00000
112 0.0174 0.00000
113 0.1028 0.00000
114 -0.1036 0.00000
115 -0.0323 0.00000
116 -0.1691 0.00000
117 -0.1270 0.00000
118 0.0739 0.00000
119 0.0365 0.00000
120 0.0796 0.00000
121 0.0293 0.00000
122 -0.0288 0.00000
123 0.0063 0.00000
124 -0.0422 0.00000
125 -0.0734 0.00000
126 -0.0858 0.00000
127 -0.1486 0.00000
128 -0.0904 0.00000
129 0.0945 0.00000
130 0.0144 0.00000
131 0.0235 0.00000
132 -0.1892 0.00000
133 0.1245 0.00000
134 -0.0476 0.00000
135 0.1306 0.00000
136 -0.1298 0.00000
137 -0.4459 0.00000
138 -0.1528 0.00000
139 0.0418 0.00000
140 0.0864 0.00000
141 -0.0479 0.00000
142 -0.1253 0.00000
143 0.0894 0.00000
144 0.1366 0.00000
145 0.1282 0.00000
146 -0.0548 0.00000
147 -0.0394 0.00000
148 0.1525 0.00000
149 0.1117 0.00000
150 0.1291 0.00000
151 0.1889 0.00000
152 -0.1481 0.00000
153 0.1944 0.00000
154 0.1503 0.00000
155 0.1412 0.00000
156 0.0581 0.00000
157 0.0003 0.00000
158 0.1475 0.00000
159 -0.1296 0.00000
160 -0.0645 0.00000
161 0.0502 0.00000
162 0.1700 0.00000
163 -0.0178 0.00000
164 -0.0927 0.00000
165 -0.0845 0.00000
166 -0.0007 0.00000
167 -0.1473 0.00000
168 -0.0085 0.00000
169 0.1132 0.00000
170 -0.0703 0.00000
171 0.1013 0.00000
172 -0.1915 0.00000
173 -0.1045 0.00000
174 0.0380 0.00000
175 0.1145 0.00000
176 -0.0703 0.00000
177 0.1218 0.00000
178 0.0835 0.00000
179 -0.2307 0.00000
180 0.0479 0.00000
181 0.0614 0.00000
182 -0.0317 0.00000
183 0.1273 0.00000
184 0.0345 0.00000
185 -0.0204 0.00000
186 0.1284 0.00000
187 -0.3120 0.00000
188 0.0188 0.00000
189 0.0538 0.00000
190 0.0706 0.00000
191 -0.1556 0.00000
192 -0.1568 0.00000
193 0.1202 0.00000
194 0.0884 0.00000
195 0.1688 0.00000
196 0.0471 0.00000
197 0.3029 0.00000
198 0.1977 0.00000
199 -0.0407 0.00000
200 0.1408 0.00000
201 0.0049 0.00000
202 -0.0306 0.00000
203 0.3025 0.00000
204 -0.0574 0.00000
205 0.0253 0.00000
206 0.0691 0.00000
207 -0.2444 0.00000
208 0.1265 0.00000
209 -0.0825 0.00000
210 -0.0271 0.00000
211 0.4291 0.00000
212 0.0765 0.00000
213 0.0426 0.00000
214 0.4670 0.00000
215 -0.5899 0.00000
216 0.0623 0.00000
217 0.0880 0.00000
218 0.0751 0.00000
219 0.0421 0.00000
220 -0.1250 0.00000
221 -0.0168 0.00000
222 -0.0055 0.00000
223 -0.1720 0.00000
224 -0.4432 0.00000
225 0.3584 0.00000
226 -0.0263 0.00000
227 -0.0369 0.00000
228 0.0959 0.00000
229 0.0855 0.00000
230 0.0143 0.00000
231 -0.0542 0.00000
232 -0.0988 0.00000
233 -0.0622 0.00000
234 0.0480 0.00000
235 -0.1547 0.00000
236 -0.0301 0.00000
237 0.0229 0.00000
238 -0.0842 0.00000
239 -0.0014 0.00000
240 -0.0276 0.00000
241 -0.0504 0.00000
242 0.0063 0.00000
243 0.0068 0.00000
244 -0.0134 0.00000
245 -0.0119 0.00000
246 0.0431 0.00000
247 0.1340 0.00000
248 0.1458 0.00000
249 0.0902 0.00000
250 0.1977 0.00000
251 -0.0361 0.00000
252 -0.2735 0.00000
253 0.0563 0.00000
254 -0.0586 0.00000
255 0.0460 0.00000
256 0.0624 0.00000
257 0.0600 0.00000
258 0.0713 0.00000
259 0.0229 0.00000
260 0.0218 0.00000
261 0.1225 0.00000
262 -0.0213 0.00000
263 -0.0030 0.00000
264 0.0177 0.00000
265 0.0661 0.00000
266 -0.0098 0.00000
267 0.0488 0.00000
268 0.0681 0.00000
269 0.0123 0.00000
270 0.0156 0.00000
271 0.0463 0.00000
272 -0.0129 0.00000
273 0.1419 0.00000
274 -0.0679 0.00000
275 0.0307 0.00000
276 0.0299 0.00000
277 -0.0697 0.00000
278 0.0585 0.00000
279 -0.0688 0.00000
280 0.0246 0.00000
281 -0.1933 0.00000
282 -0.0778 0.00000
283 0.0255 0.00000
284 -0.0582 0.00000
285 0.0619 0.00000
286 0.0661 0.00000
287 0.0959 0.00000
288 0.0858 0.00000
289 -0.0126 0.00000
290 -0.0405 0.00000
291 -0.1102 0.00000
292 0.0723 0.00000
293 -0.0229 0.00000
294 -0.1960 0.00000
295 -0.0642 0.00000
296 -0.0043 0.00000
297 -0.1349 0.00000
298 0.0016 0.00000
299 -0.0131 0.00000
300 0.0592 0.00000
301 -0.0331 0.00000
302 -0.0216 0.00000
303 0.0701 0.00000
304 0.0059 0.00000
305 -0.0016 0.00000
306 0.0025 0.00000
307 0.0374 0.00000
308 0.0430 0.00000
309 -0.0710 0.00000
310 -0.0920 0.00000
311 -0.0246 0.00000
312 -0.0240 0.00000
313 -0.0345 0.00000
314 -0.0996 0.00000
315 0.0205 0.00000
316 0.0822 0.00000
317 0.0108 0.00000
318 -0.0412 0.00000
319 0.0364 0.00000
320 -0.0155 0.00000
321 -0.1458 0.00000
322 0.0290 0.00000
323 -0.0217 0.00000
324 -0.0307 0.00000
325 -0.0230 0.00000
326 0.0068 0.00000
327 -0.1637 0.00000
328 -0.0383 0.00000
329 -0.0718 0.00000
330 -0.0080 0.00000
331 -0.0537 0.00000
332 0.0092 0.00000
333 -0.0941 0.00000
334 0.1122 0.00000
335 -0.0477 0.00000
336 -0.0285 0.00000
337 0.0264 0.00000
338 -0.1608 0.00000
339 -0.1093 0.00000
340 0.0566 0.00000
341 0.0000 0.00000
342 -0.0837 0.00000
343 -0.0066 0.00000
344 -0.0055 0.00000
345 0.0095 0.00000
346 -0.1328 0.00000
347 -0.0383 0.00000
348 0.0483 0.00000
349 0.1825 0.00000
350 0.0640 0.00000
351 0.0528 0.00000
352 -0.0791 0.00000
353 0.2152 0.00000
354 -0.0026 0.00000
355 0.0016 0.00000
356 0.0786 0.00000
357 0.0864 0.00000
358 0.0597 0.00000
359 -0.0742 0.00000
360 -0.0123 0.00000
361 0.0075 0.00000
362 0.0430 0.00000
363 0.0098 0.00000
364 0.1397 0.00000
365 0.0066 0.00000
366 0.0040 0.00000
367 -0.1878 0.00000
368 0.0242 0.00000
369 -0.0282 0.00000
370 -0.0936 0.00000
371 0.0503 0.00000
372 -0.0464 0.00000
373 0.0612 0.00000
374 0.0452 0.00000
375 0.0705 0.00000
376 0.0225 0.00000
377 -0.1844 0.00000
378 0.0055 0.00000
379 0.0319 0.00000
380 0.0884 0.00000
381 -0.0849 0.00000
382 -0.0627 0.00000
383 -0.0266 0.00000
384 -0.0009 0.00000
385 0.1825 0.00000
386 0.0607 0.00000
387 0.0066 0.00000
388 0.1554 0.00000
389 0.0978 0.00000
390 0.0569 0.00000
391 -0.0931 0.00000
392 0.0981 0.00000
393 -0.0379 0.00000
394 -0.1576 0.00000
395 0.0525 0.00000
396 -0.0079 0.00000
397 -0.0036 0.00000
398 -0.0180 0.00000
399 0.0699 0.00000
400 -0.0112 0.00000
401 0.0588 0.00000
402 0.1256 0.00000
403 0.0047 0.00000
404 0.1136 0.00000
405 -0.0229 0.00000
406 0.0956 0.00000
407 0.0267 0.00000
408 -0.0592 0.00000
409 -0.1374 0.00000
410 0.1565 0.00000
411 0.0271 0.00000
412 0.0643 0.00000
413 0.0661 0.00000
414 -0.1716 0.00000
415 0.0465 0.00000
416 -0.0458 0.00000
417 -0.0140 0.00000
418 -0.0848 0.00000
419 0.0340 0.00000
420 -0.0415 0.00000
421 -0.0050 0.00000
422 -0.2655 0.00000
423 0.0164 0.00000
424 0.0114 0.00000
425 -0.0109 0.00000
426 -0.0109 0.00000
427 0.0633 0.00000
428 -0.0025 0.00000
429 0.0397 0.00000
430 0.0086 0.00000
431 0.2813 0.00000
432 0.0122 0.00000
433 -0.0677 0.00000
434 -0.0014 0.00000
435 0.0706 0.00000
436 0.0066 0.00000
437 0.0760 0.00000
438 0.0123 0.00000
439 0.0243 0.00000
440 0.1224 0.00000
441 0.0139 0.00000
442 -0.0211 0.00000
443 -0.0048 0.00000
444 -0.0466 0.00000
445 0.0214 0.00000
446 0.0078 0.00000
447 -0.0084 0.00000
448 0.0112 0.00000
449 0.0169 0.00000
450 -0.0537 0.00000
451 -0.0255 0.00000
452 0.0391 0.00000
453 0.0137 0.00000
454 -0.0840 0.00000
455 0.0852 0.00000
456 -0.0003 0.00000
457 0.0008 0.00000
458 0.0781 0.00000
459 -0.0064 0.00000
460 -0.0157 0.00000
461 0.0680 0.00000
462 0.0333 0.00000
463 -0.0200 0.00000
464 0.0964 0.00000
465 0.0336 0.00000
466 0.0239 0.00000
467 -0.0266 0.00000
468 0.0382 0.00000
469 0.0132 0.00000
470 -0.2723 0.00000
471 0.0012 0.00000
472 0.0543 0.00000
473 0.0019 0.00000
474 -0.0678 0.00000
475 -0.0068 0.00000
476 0.0042 0.00000
477 0.0320 0.00000
478 0.0605 0.00000
479 -0.0522 0.00000
480 -0.0552 0.00000
481 -0.0330 0.00000
482 0.0106 0.00000
483 0.0418 0.00000
484 -0.0294 0.00000
485 -0.0292 0.00000
486 -0.0920 0.00000
487 0.1055 0.00000
488 -0.0471 0.00000
489 0.0643 0.00000
490 -0.0156 0.00000
491 -0.0968 0.00000
492 -0.0313 0.00000
493 0.0155 0.00000
494 -0.1338 0.00000
495 0.0571 0.00000
496 0.0055 0.00000
497 0.0595 0.00000
498 0.0418 0.00000
499 -0.0567 0.00000
500 0.0398 0.00000
501 0.0222 0.00000
502 -0.0275 0.00000
503 0.0535 0.00000
504 0.1204 0.00000
505 -0.1184 0.00000
506 -0.0337 0.00000
507 0.0422 0.00000
508 -0.0064 0.00000
509 0.1217 0.00000
510 0.1233 0.00000
511 -0.0113 0.00000
512 0.0853 0.00000
513 0.0386 0.00000
514 0.0914 0.00000
515 -0.0323 0.00000
516 0.1743 0.00000
517 -0.0312 0.00000
518 0.0006 0.00000
519 -0.0440 0.00000
520 0.0667 0.00000
521 0.1880 0.00000
522 0.0432 0.00000
523 -0.0334 0.00000
524 -0.0133 0.00000
525 0.0471 0.00000
526 0.0207 0.00000
527 0.0846 0.00000
528 0.0180 0.00000
529 -0.0045 0.00000
530 0.0393 0.00000
531 -0.0121 0.00000
532 -0.0358 0.00000
533 -0.0226 0.00000
534 -0.0100 0.00000
535 -0.0017 0.00000
536 0.0240 0.00000
537 0.0178 0.00000
538 0.1455 0.00000
539 -0.0111 0.00000
540 0.0354 0.00000
541 -0.0525 0.00000
542 -0.0107 0.00000
543 0.0178 0.00000
544 0.0370 0.00000
545 0.0957 0.00000
546 -0.1230 0.00000
547 0.0398 0.00000
548 -0.1089 0.00000
549 0.0374 0.00000
550 0.0784 0.00000
551 0.0064 0.00000
552 0.0165 0.00000
553 -0.0285 0.00000
554 -0.0038 0.00000
555 0.0003 0.00000
556 -0.0222 0.00000
557 -0.0008 0.00000
558 -0.0023 0.00000
559 -0.0351 0.00000
560 0.0097 0.00000
561 0.0131 0.00000
562 -0.0113 0.00000
563 -0.0062 0.00000
564 0.0368 0.00000
565 -0.0281 0.00000
566 -0.0386 0.00000
567 -0.3091 0.00000
568 0.0277 0.00000
569 -0.0405 0.00000
570 -0.0504 0.00000
571 -0.0077 0.00000
572 0.0068 0.00000
573 -0.0407 0.00000
574 -0.0078 0.00000
575 -0.0287 0.00000
576 0.0028 0.00000
577 -0.0307 0.00000
578 -0.2645 0.00000
579 -0.0926 0.00000
580 0.0369 0.00000
581 -0.0010 0.00000
582 -0.1307 0.00000
583 0.1121 0.00000
584 -0.0471 0.00000
585 -0.0158 0.00000
586 0.0133 0.00000
587 0.0465 0.00000
588 0.1530 0.00000
589 0.0033 0.00000
590 -0.0193 0.00000
591 0.0095 0.00000
592 -0.0193 0.00000
593 -0.0286 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0038 0.00000
597 0.0227 0.00000
598 -0.0106 0.00000
599 0.0403 0.00000
600 0.0361 0.00000
601 0.1041 0.00000
602 -0.0609 0.00000
603 0.0847 0.00000
604 0.0344 0.00000
605 0.0171 0.00000
606 0.0708 0.00000
607 0.0785 0.00000
608 -0.0220 0.00000
609 -0.0210 0.00000
610 0.0135 0.00000
611 -0.0235 0.00000
612 0.1102 0.00000
613 0.0219 0.00000
614 0.0265 0.00000
615 -0.0201 0.00000
616 0.0643 0.00000
617 -0.0084 0.00000
618 -0.0002 0.00000
619 0.0345 0.00000
620 0.0295 0.00000
621 -0.0279 0.00000
622 0.0180 0.00000
623 0.0014 0.00000
624 0.0543 0.00000
625 -0.0884 0.00000
626 0.0076 0.00000
627 -0.0181 0.00000
628 0.0074 0.00000
629 0.0135 0.00000
630 0.0851 0.00000
631 -0.0052 0.00000
632 0.0225 0.00000
633 -0.0385 0.00000
634 0.0037 0.00000
635 -0.0112 0.00000
636 0.0246 0.00000
637 0.0071 0.00000
638 -0.0487 0.00000
639 0.1007 0.00000
640 0.0026 0.00000
641 0.0287 0.00000
642 -0.0818 0.00000
643 0.0168 0.00000
644 -0.0513 0.00000
645 -0.0082 0.00000
646 0.0484 0.00000
647 -0.0015 0.00000
648 -0.0136 0.00000
649 -0.0165 0.00000
650 0.0409 0.00000
651 0.0011 0.00000
652 -0.0043 0.00000
653 -0.0215 0.00000
654 -0.0565 0.00000
655 0.0088 0.00000
656 -0.0162 0.00000
657 -0.0161 0.00000
658 0.0096 0.00000
659 -0.0147 0.00000
660 0.0085 0.00000
661 0.0156 0.00000
662 -0.0009 0.00000
663 0.0759 0.00000
664 0.0035 0.00000
665 -0.0409 0.00000
666 -0.0144 0.00000
667 0.0367 0.00000
668 0.0699 0.00000
669 -0.0168 0.00000
670 -0.0606 0.00000
671 0.0330 0.00000
672 0.0058 0.00000
673 -0.0187 0.00000
674 -0.0279 0.00000
675 0.0245 0.00000
676 -0.0163 0.00000
677 -0.0463 0.00000
678 -0.0316 0.00000
679 0.0112 0.00000
680 0.0188 0.00000
681 0.0175 0.00000
682 -0.0388 0.00000
683 0.0569 0.00000
684 0.0242 0.00000
685 0.0455 0.00000
686 -0.0113 0.00000
687 -0.0766 0.00000
688 -0.0243 0.00000
689 -0.0079 0.00000
690 0.0048 0.00000
691 0.0195 0.00000
692 -0.0175 0.00000
693 -0.0072 0.00000
694 0.0587 0.00000
695 0.0467 0.00000
696 0.0476 0.00000
697 0.0168 0.00000
698 -0.0427 0.00000
699 0.0358 0.00000
700 0.0511 0.00000
701 -0.0138 0.00000
702 0.0001 0.00000
703 -0.0009 0.00000
704 0.0411 0.00000
705 0.0419 0.00000
706 -0.0182 0.00000
707 -0.0324 0.00000
708 0.0753 0.00000
709 0.0521 0.00000
710 0.0391 0.00000
711 0.0167 0.00000
712 -0.0208 0.00000
713 0.0189 0.00000
714 -0.0090 0.00000
715 -0.0247 0.00000
716 -0.0939 0.00000
717 0.0121 0.00000
718 0.0050 0.00000
719 0.0259 0.00000
720 -0.0376 0.00000
721 -0.0601 0.00000
722 0.0417 0.00000
723 -0.0146 0.00000
724 -0.0220 0.00000
725 0.0234 0.00000
726 0.0234 0.00000
727 -0.0341 0.00000
728 -0.0295 0.00000
729 0.0029 0.00000
730 -0.0323 0.00000
731 -0.0147 0.00000
732 0.0024 0.00000
733 -0.0225 0.00000
734 -0.0357 0.00000
735 0.0093 0.00000
736 -0.0370 0.00000
737 -0.0292 0.00000
738 0.0299 0.00000
739 -0.0569 0.00000
740 -0.0397 0.00000
741 0.0083 0.00000
742 0.0662 0.00000
743 0.0351 0.00000
744 0.0144 0.00000
745 0.0044 0.00000
746 -0.0159 0.00000
747 0.0017 0.00000
748 0.0039 0.00000
749 -0.0126 0.00000
750 -0.0098 0.00000
751 0.0010 0.00000
752 0.0065 0.00000
753 0.0392 0.00000
754 -0.0151 0.00000
755 -0.0835 0.00000
756 -0.0038 0.00000
757 -0.0597 0.00000
758 -0.0377 0.00000
759 -0.0159 0.00000
760 -0.0619 0.00000
761 -0.0095 0.00000
762 0.0153 0.00000
763 -0.0036 0.00000
764 -0.0203 0.00000
765 -0.0108 0.00000
766 -0.0183 0.00000
767 0.0101 0.00000
768 -0.0200 0.00000
769 0.0074 0.00000
770 0.0189 0.00000
771 -0.0545 0.00000
772 -0.0839 0.00000
773 -0.0486 0.00000
774 -0.0305 0.00000
775 -0.0039 0.00000
776 0.0118 0.00000
777 -0.0036 0.00000
778 -0.0067 0.00000
779 0.0051 0.00000
780 -0.0225 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0259 0.00000
5 0.1387 0.00000
6 0.2829 0.00000
7 0.0220 0.00000
8 0.1146 0.00000
9 0.1994 0.00000
10 0.0603 0.00000
11 0.0036 0.00000
12 -0.0109 0.00000
13 -0.0827 0.00000
14 -0.0089 0.00000
15 -0.2317 0.00000
16 -0.2217 0.00000
17 0.0329 0.00000
18 0.4116 0.00000
19 -0.0261 0.00000
20 -0.0013 0.00000
21 0.0108 0.00000
22 0.2336 0.00000
23 0.1667 0.00000
24 -0.0643 0.00000
25 0.4451 0.00000
26 0.1089 0.00000
27 0.0843 0.00000
28 -0.1356 0.00000
29 0.0181 0.00000
30 -0.1024 0.00000
31 -0.5891 0.00000
32 -0.3062 0.00000
33 0.0903 0.00000
34 0.0965 0.00000
35 0.0730 0.00000
36 -0.4960 0.00000
37 -0.1293 0.00000
38 0.0356 0.00000
39 0.2079 0.00000
40 -0.2872 0.00000
41 0.0159 0.00000
42 0.0669 0.00000
43 0.1325 0.00000
44 -0.0573 0.00000
45 -0.3496 0.00000
46 0.3235 0.00000
47 0.2299 0.00000
48 -0.5087 0.00000
49 0.3146 0.00000
50 0.3941 0.00000
51 0.1097 0.00000
52 0.7135 0.00000
53 0.0720 0.00000
54 -0.0714 0.00000
55 0.0076 0.00000
56 -0.6631 0.00000
57 0.0407 0.00000
58 -0.0243 0.00000
59 -0.3600 0.00000
60 0.6989 0.00000
61 -0.0486 0.00000
62 0.0174 0.00000
63 -0.2352 0.00000
64 -0.2874 0.00000
65 -0.2167 0.00000
66 -0.1993 0.00000
67 -0.0778 0.00000
68 0.6918 0.00000
69 0.0276 0.00000
70 0.0030 0.00000
71 0.0962 0.00000
72 0.0502 0.00000
73 0.0386 0.00000
74 0.0158 0.00000
75 -0.0611 0.00000
76 -0.0103 0.00000
77 -0.0322 0.00000
78 0.0053 0.00000
79 0.1666 0.00000
80 0.0545 0.00000
81 0.1048 0.00000
82 0.0311 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0812 0.00000
89 0.1108 0.00000
90 -0.0118 0.00000
91 -0.0077 0.00000
92 -0.0887 0.00000
93 0.0397 0.00000
94 -0.2083 0.00000
95 0.2712 0.00000
96 0.1562 0.00000
97 0.0245 0.00000
98 -0.0280 0.00000
99 -0.0311 0.00000
100 -0.4378 0.00000
101 -0.0628 0.00000
102 0.0393 0.00000
103 -0.0850 0.00000
104 0.0899 0.00000
105 -0.0016 0.00000
106 0.0892 0.00000
107 0.1047 0.00000
108 0.0533 0.00000
109 0.1214 0.00000
110 -0.1722 0.00000
111 0.0299 0.00000
112 0.0490 0.00000
113 0.0757 0.00000
114 -0.0766 0.00000
115 -0.0372 0.00000
116 -0.2038 0.00000
117 -0.1009 0.00000
118 0.0727 0.00000
119 0.0254 0.00000
120 0.0837 0.00000
121 0.0558 0.00000
122 -0.0559 0.00000
123 0.0826 0.00000
124 -0.0724 0.00000
125 -0.1140 0.00000
126 -0.0896 0.00000
127 -0.1478 0.00000
128 -0.1012 0.00000
129 0.0933 0.00000
130 0.0121 0.00000
131 0.0206 0.00000
132 -0.0483 0.00000
133 -0.0104 0.00000
134 -0.0318 0.00000
135 0.1299 0.00000
136 -0.0696 0.00000
137 -0.5006 0.00000
138 -0.1643 0.00000
139 0.0419 0.00000
140 0.0890 0.00000
141 -0.0488 0.00000
142 -0.1221 0.00000
143 0.0848 0.00000
144 0.1434 0.00000
145 0.1353 0.00000
146 -0.0655 0.00000
147 -0.0383 0.00000
148 0.1345 0.00000
149 0.1491 0.00000
150 0.1317 0.00000
151 0.0482 0.00000
152 -0.0195 0.00000
153 0.1005 0.00000
154 0.3758 0.00000
155 0.0495 0.00000
156 0.0265 0.00000
157 0.0046 0.00000
158 -0.0546 0.00000
159 0.0851 0.00000
160 0.0518 0.00000
161 0.0863 0.00000
162 0.1312 0.00000
163 -0.1065 0.00000
164 -0.1119 0.00000
165 -0.0178 0.00000
166 -0.1189 0.00000
167 -0.2040 0.00000
168 -0.0367 0.00000
169 -0.0246 0.00000
170 0.0924 0.00000
171 -0.0327 0.00000
172 0.0443 0.00000
173 -0.1771 0.00000
174 0.0989 0.00000
175 0.1866 0.00000
176 0.0416 0.00000
177 -0.0140 0.00000
178 -0.0419 0.00000
179 -0.2106 0.00000
180 -0.0241 0.00000
181 0.0928 0.00000
182 0.2459 0.00000
183 0.0269 0.00000
184 -0.0105 0.00000
185 -0.0115 0.00000
186 0.0800 0.00000
187 -0.4394 0.00000
188 0.0562 0.00000
189 -0.0214 0.00000
190 0.0797 0.00000
191 0.0250 0.00000
192 0.1985 0.00000
193 -0.1642 0.00000
194 0.0648 0.00000
195 0.1230 0.00000
196 0.0672 0.00000
197 0.2007 0.00000
198 0.0685 0.00000
199 0.0139 0.00000
200 -0.0452 0.00000
201 0.4349 0.00000
202 0.1262 0.00000
203 -0.0154 0.00000
204 0.3675 0.00000
205 -0.2417 0.00000
206 -0.3577 0.00000
207 -0.0360 0.00000
208 0.0369 0.00000
209 0.0801 0.00000
210 0.1110 0.00000
211 0.1950 0.00000
212 0.2850 0.00000
213 0.1596 0.00000
214 0.0790 0.00000
215 0.0459 0.00000
216 0.0385 0.00000
217 -0.5985 0.00000
218 0.0898 0.00000
219 0.0245 0.00000
220 0.0417 0.00000
221 0.1126 0.00000
222 -0.0918 0.00000
223 -0.2321 0.00000
224 -0.1987 0.00000
225 0.1344 0.00000
226 0.0670 0.00000
227 -0.0389 0.00000
228 0.1057 0.00000
229 0.0965 0.00000
230 -0.0041 0.00000
231 -0.0549 0.00000
232 -0.1010 0.00000
233 -0.0656 0.00000
234 0.0453 0.00000
235 -0.1629 0.00000
236 -0.0046 0.00000
237 -0.1075 0.00000
238 0.0116 0.00000
239 -0.0084 0.00000
240 -0.0330 0.00000
241 -0.0050 0.00000
242 -0.0224 0.00000
243 0.0125 0.00000
244 -0.0242 0.00000
245 -0.0152 0.00000
246 0.1028 0.00000
247 0.1460 0.00000
248 0.1446 0.00000
249 0.0078 0.00000
250 0.2671 0.00000
251 0.0132 0.00000
252 -0.3928 0.00000
253 -0.0372 0.00000
254 0.0463 0.00000
255 -0.0063 0.00000
256 0.0608 0.00000
257 0.0934 0.00000
258 0.1297 0.00000
259 0.0396 0.00000
260 0.0424 0.00000
261 0.0192 0.00000
262 0.0102 0.00000
263 0.0830 0.00000
264 -0.0022 0.00000
265 0.0682 0.00000
266 -0.0310 0.00000
267 0.0460 0.00000
268 0.0223 0.00000
269 0.0751 0.00000
270 -0.0302 0.00000
271 0.0109 0.00000
272 -0.0028 0.00000
273 0.1027 0.00000
274 0.0167 0.00000
275 -0.0236 0.00000
276 -0.0100 0.00000
277 -0.0836 0.00000
278 -0.0098 0.00000
279 0.0151 0.00000
280 -0.0340 0.00000
281 0.0721 0.00000
282 0.0585 0.00000
283 -0.0296 0.00000
284 0.0704 0.00000
285 -0.1241 0.00000
286 0.0072 0.00000
287 -0.0808 0.00000
288 0.0577 0.00000
289 0.0158 0.00000
290 -0.0559 0.00000
291 0.0028 0.00000
292 -0.0178 0.00000
293 0.0216 0.00000
294 -0.1329 0.00000
295 -0.0931 0.00000
296 -0.0428 0.00000
297 -0.1053 0.00000
298 0.0691 0.00000
299 0.0046 0.00000
300 0.0159 0.00000
301 -0.0279 0.00000
302 0.0184 0.00000
303 0.0048 0.00000
304 0.0237 0.00000
305 0.0447 0.00000
306 -0.0305 0.00000
307 -0.0366 0.00000
308 -0.1006 0.00000
309 0.0090 0.00000
310 -0.1463 0.00000
311 -0.0301 0.00000
312 -0.1125 0.00000
313 0.0353 0.00000
314 0.1386 0.00000
315 -0.0052 0.00000
316 -0.0014 0.00000
317 0.0049 0.00000
318 0.0090 0.00000
319 0.0631 0.00000
320 -0.0108 0.00000
321 -0.0242 0.00000
322 -0.0306 0.00000
323 -0.0709 0.00000
324 0.0141 0.00000
325 -0.0441 0.00000
326 -0.0527 0.00000
327 -0.1367 0.00000
328 0.0136 0.00000
329 -0.0103 0.00000
330 -0.0696 0.00000
331 -0.0061 0.00000
332 0.0141 0.00000
333 -0.0937 0.00000
334 -0.0334 0.00000
335 -0.0981 0.00000
336 0.0676 0.00000
337 -0.1644 0.00000
338 -0.1304 0.00000
339 0.0390 0.00000
340 -0.0229 0.00000
341 0.0127 0.00000
342 -0.0386 0.00000
343 -0.0054 0.00000
344 -0.0839 0.00000
345 -0.1259 0.00000
346 0.1803 0.00000
347 0.0459 0.00000
348 -0.0905 0.00000
349 -0.1184 0.00000
350 0.0636 0.00000
351 0.0552 0.00000
352 0.0084 0.00000
353 0.1849 0.00000
354 0.0395 0.00000
355 0.1094 0.00000
356 0.1884 0.00000
357 0.0174 0.00000
358 -0.0058 0.00000
359 0.0136 0.00000
360 0.0075 0.00000
361 0.1130 0.00000
362 -0.0751 0.00000
363 0.1477 0.00000
364 -0.0323 0.00000
365 -0.0271 0.00000
366 -0.2655 0.00000
367 0.0553 0.00000
368 0.0298 0.00000
369 0.0632 0.00000
370 -0.0509 0.00000
371 -0.0282 0.00000
372 -0.0294 0.00000
373 0.0462 0.00000
374 0.0508 0.00000
375 -0.0108 0.00000
376 0.0746 0.00000
377 0.0628 0.00000
378 0.0463 0.00000
379 -0.0197 0.00000
380 0.0239 0.00000
381 -0.0600 0.00000
382 -0.0768 0.00000
383 0.0800 0.00000
384 0.0309 0.00000
385 -0.0381 0.00000
386 -0.0339 0.00000
387 0.0135 0.00000
388 0.1358 0.00000
389 0.0175 0.00000
390 0.0723 0.00000
391 -0.0832 0.00000
392 -0.1200 0.00000
393 0.1390 0.00000
394 -0.0745 0.00000
395 -0.0327 0.00000
396 -0.0655 0.00000
397 0.1502 0.00000
398 0.0226 0.00000
399 0.0294 0.00000
400 0.0520 0.00000
401 -0.0432 0.00000
402 0.0965 0.00000
403 0.0527 0.00000
404 0.1035 0.00000
405 -0.0064 0.00000
406 0.2410 0.00000
407 -0.2972 0.00000
408 0.0623 0.00000
409 -0.0675 0.00000
410 -0.0034 0.00000
411 0.1708 0.00000
412 -0.0347 0.00000
413 0.0442 0.00000
414 0.0497 0.00000
415 0.0207 0.00000
416 -0.0237 0.00000
417 -0.0175 0.00000
418 0.0976 0.00000
419 -0.0870 0.00000
420 -0.0733 0.00000
421 0.0571 0.00000
422 -0.0826 0.00000
423 -0.0324 0.00000
424 0.0987 0.00000
425 -0.0717 0.00000
426 -0.1136 0.00000
427 -0.0248 0.00000
428 0.0681 0.00000
429 -0.0478 0.00000
430 -0.0242 0.00000
431 0.1717 0.00000
432 -0.0213 0.00000
433 -0.0148 0.00000
434 -0.0798 0.00000
435 0.0261 0.00000
436 -0.0052 0.00000
437 0.0898 0.00000
438 0.0202 0.00000
439 -0.0094 0.00000
440 -0.0062 0.00000
441 0.0653 0.00000
442 -0.0214 0.00000
443 0.0511 0.00000
444 0.0976 0.00000
445 0.0697 0.00000
446 0.0306 0.00000
447 -0.0236 0.00000
448 -0.0141 0.00000
449 0.0185 0.00000
450 0.0764 0.00000
451 0.1049 0.00000
452 -0.1143 0.00000
453 -0.1108 0.00000
454 -0.0256 0.00000
455 0.1215 0.00000
456 -0.0341 0.00000
457 0.0594 0.00000
458 0.0172 0.00000
459 0.0190 0.00000
460 -0.0625 0.00000
461 0.0261 0.00000
462 -0.0921 0.00000
463 0.0215 0.00000
464 0.0103 0.00000
465 0.0119 0.00000
466 0.0155 0.00000
467 0.0182 0.00000
468 -0.0109 0.00000
469 0.0298 0.00000
470 0.0711 0.00000
471 0.0704 0.00000
472 0.0210 0.00000
473 0.0270 0.00000
474 0.0842 0.00000
475 -0.0799 0.00000
476 0.1450 0.00000
477 0.0025 0.00000
478 -0.1989 0.00000
479 -0.0407 0.00000
480 -0.0628 0.00000
481 0.0320 0.00000
482 -0.0817 0.00000
483 -0.0635 0.00000
484 -0.0398 0.00000
485 -0.0090 0.00000
486 -0.0056 0.00000
487 0.0646 0.00000
488 -0.0780 0.00000
489 -0.0125 0.00000
490 0.0923 0.00000
491 -0.1019 0.00000
492 -0.1354 0.00000
493 -0.1171 0.00000
494 0.1469 0.00000
495 -0.1305 0.00000
496 -0.0017 0.00000
497 0.0997 0.00000
498 0.0318 0.00000
499 0.0248 0.00000
500 -0.0202 0.00000
501 0.0316 0.00000
502 0.0555 0.00000
503 -0.0316 0.00000
504 0.0393 0.00000
505 0.1098 0.00000
506 0.0272 0.00000
507 -0.0144 0.00000
508 0.0590 0.00000
509 -0.0443 0.00000
510 0.0327 0.00000
511 0.1023 0.00000
512 0.0461 0.00000
513 0.0285 0.00000
514 0.0181 0.00000
515 0.0900 0.00000
516 0.0706 0.00000
517 0.0219 0.00000
518 -0.0033 0.00000
519 0.2227 0.00000
520 0.0132 0.00000
521 -0.0005 0.00000
522 -0.0386 0.00000
523 0.0489 0.00000
524 0.0792 0.00000
525 -0.0283 0.00000
526 -0.0143 0.00000
527 0.0546 0.00000
528 0.0050 0.00000
529 0.0808 0.00000
530 0.0368 0.00000
531 -0.0190 0.00000
532 -0.0100 0.00000
533 -0.1100 0.00000
534 0.0167 0.00000
535 0.0593 0.00000
536 0.0476 0.00000
537 -0.0576 0.00000
538 0.1042 0.00000
539 -0.0487 0.00000
540 0.0185 0.00000
541 -0.0128 0.00000
542 -0.0756 0.00000
543 0.0904 0.00000
544 0.0318 0.00000
545 0.1043 0.00000
546 0.0693 0.00000
547 0.0121 0.00000
548 0.0478 0.00000
549 -0.1073 0.00000
550 -0.0088 0.00000
551 0.0281 0.00000
552 -0.0081 0.00000
553 -0.0003 0.00000
554 -0.0166 0.00000
555 -0.0210 0.00000
556 -0.0244 0.00000
557 -0.0394 0.00000
558 -0.0214 0.00000
559 -0.0520 0.00000
560 0.0137 0.00000
561 0.0213 0.00000
562 0.0038 0.00000
563 -0.0133 0.00000
564 0.0164 0.00000
565 -0.0391 0.00000
566 0.0023 0.00000
567 -0.0341 0.00000
568 -0.0515 0.00000
569 -0.0419 0.00000
570 -0.0935 0.00000
571 -0.0651 0.00000
572 -0.0754 0.00000
573 -0.0389 0.00000
574 -0.0260 0.00000
575 -0.0382 0.00000
576 -0.1795 0.00000
577 0.0541 0.00000
578 -0.0558 0.00000
579 0.0364 0.00000
580 -0.0348 0.00000
581 -0.1194 0.00000
582 -0.0027 0.00000
583 0.0180 0.00000
584 -0.0402 0.00000
585 -0.0611 0.00000
586 0.0291 0.00000
587 0.0584 0.00000
588 0.1322 0.00000
589 0.0035 0.00000
590 -0.0053 0.00000
591 0.0055 0.00000
592 -0.0242 0.00000
593 -0.0286 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0038 0.00000
597 0.0227 0.00000
598 -0.0025 0.00000
599 0.0318 0.00000
600 0.0413 0.00000
601 0.0337 0.00000
602 0.0582 0.00000
603 0.0201 0.00000
604 0.1350 0.00000
605 0.0893 0.00000
606 -0.0620 0.00000
607 -0.0022 0.00000
608 -0.0550 0.00000
609 0.0775 0.00000
610 0.0212 0.00000
611 -0.0457 0.00000
612 0.0425 0.00000
613 0.0332 0.00000
614 0.0557 0.00000
615 0.0069 0.00000
616 0.0046 0.00000
617 0.0267 0.00000
618 0.0388 0.00000
619 -0.0736 0.00000
620 0.0473 0.00000
621 0.0452 0.00000
622 0.0349 0.00000
623 0.0121 0.00000
624 -0.0076 0.00000
625 0.0279 0.00000
626 -0.0691 0.00000
627 -0.0168 0.00000
628 0.0493 0.00000
629 -0.0253 0.00000
630 0.0670 0.00000
631 0.0303 0.00000
632 -0.0040 0.00000
633 0.0212 0.00000
634 -0.0086 0.00000
635 0.0046 0.00000
636 0.0214 0.00000
637 0.0050 0.00000
638 0.0090 0.00000
639 -0.0382 0.00000
640 -0.0734 0.00000
641 -0.0049 0.00000
642 -0.0599 0.00000
643 -0.0314 0.00000
644 0.0123 0.00000
645 0.0084 0.00000
646 0.0154 0.00000
647 0.0564 0.00000
648 0.0060 0.00000
649 0.0377 0.00000
650 0.0256 0.00000
651 0.0356 0.00000
652 0.0082 0.00000
653 0.0145 0.00000
654 0.0131 0.00000
655 -0.0041 0.00000
656 -0.0467 0.00000
657 0.0087 0.00000
658 0.0386 0.00000
659 -0.0563 0.00000
660 -0.0017 0.00000
661 0.0011 0.00000
662 0.0153 0.00000
663 -0.0331 0.00000
664 0.0332 0.00000
665 -0.0025 0.00000
666 -0.0360 0.00000
667 -0.0022 0.00000
668 0.0602 0.00000
669 -0.0807 0.00000
670 -0.0127 0.00000
671 -0.0016 0.00000
672 -0.0581 0.00000
673 0.0093 0.00000
674 -0.0262 0.00000
675 -0.0022 0.00000
676 -0.0103 0.00000
677 0.0014 0.00000
678 0.0116 0.00000
679 0.0099 0.00000
680 -0.0374 0.00000
681 0.0200 0.00000
682 -0.0588 0.00000
683 -0.0328 0.00000
684 0.1137 0.00000
685 0.0096 0.00000
686 -0.0285 0.00000
687 -0.0091 0.00000
688 0.0540 0.00000
689 -0.0461 0.00000
690 0.0720 0.00000
691 0.0218 0.00000
692 -0.0060 0.00000
693 0.0036 0.00000
694 0.0428 0.00000
695 -0.0240 0.00000
696 0.1006 0.00000
697 0.0139 0.00000
698 -0.0318 0.00000
699 0.0480 0.00000
700 0.0352 0.00000
701 0.0222 0.00000
702 -0.0006 0.00000
703 -0.0015 0.00000
704 0.1235 0.00000
705 0.0050 0.00000
706 -0.0056 0.00000
707 -0.0470 0.00000
708 -0.0155 0.00000
709 -0.0177 0.00000
710 0.0334 0.00000
711 0.0200 0.00000
712 0.0108 0.00000
713 0.0207 0.00000
714 0.0056 0.00000
715 -0.0037 0.00000
716 0.0350 0.00000
717 -0.0579 0.00000
718 -0.0026 0.00000
719 -0.0126 0.00000
720 -0.0178 0.00000
721 0.0256 0.00000
722 -0.0028 0.00000
723 0.0371 0.00000
724 -0.0134 0.00000
725 -0.0729 0.00000
726 -0.0488 0.00000
727 -0.0508 0.00000
728 -0.0123 0.00000
729 -0.0060 0.00000
730 -0.0388 0.00000
731 0.0095 0.00000
732 -0.0626 0.00000
733 0.0141 0.00000
734 -0.0854 0.00000
735 0.0439 0.00000
736 0.0211 0.00000
737 0.0061 0.00000
738 -0.0013 0.00000
739 0.0155 0.00000
740 -0.0081 0.00000
741 -0.0205 0.00000
742 0.0439 0.00000
743 -0.0526 0.00000
744 -0.0951 0.00000
745 0.0025 0.00000
746 -0.0004 0.00000
747 -0.0723 0.00000
748 -0.0109 0.00000
749 -0.0164 0.00000
750 0.0484 0.00000
751 -0.0081 0.00000
752 -0.0344 0.00000
753 -0.0197 0.00000
754 0.0186 0.00000
755 -0.0240 0.00000
756 0.0616 0.00000
757 0.0036 0.00000
758 0.0264 0.00000
759 -0.0371 0.00000
760 -0.0064 0.00000
761 0.0351 0.00000
762 -0.0497 0.00000
763 0.0156 0.00000
764 -0.0158 0.00000
765 -0.0364 0.00000
766 -0.0873 0.00000
767 -0.0977 0.00000
768 -0.0113 0.00000
769 0.0437 0.00000
770 0.0262 0.00000
771 0.0218 0.00000
772 0.0627 0.00000
773 0.0164 0.00000
774 -0.0108 0.00000
775 -0.0039 0.00000
776 -0.0413 0.00000
777 -0.0225 0.00000
778 -0.0497 0.00000
779 -0.0007 0.00000
780 -0.0211 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0238 0.00000
5 0.1407 0.00000
6 0.2819 0.00000
7 0.0229 0.00000
8 0.1149 0.00000
9 0.1995 0.00000
10 0.0623 0.00000
11 0.0037 0.00000
12 -0.0127 0.00000
13 -0.0819 0.00000
14 -0.0094 0.00000
15 -0.2317 0.00000
16 -0.2422 0.00000
17 -0.0871 0.00000
18 0.4928 0.00000
19 0.0509 0.00000
20 -0.0043 0.00000
21 0.0108 0.00000
22 0.2293 0.00000
23 0.1624 0.00000
24 -0.0657 0.00000
25 0.4312 0.00000
26 0.1012 0.00000
27 0.0977 0.00000
28 -0.2263 0.00000
29 0.0914 0.00000
30 -0.0691 0.00000
31 -0.6084 0.00000
32 -0.3444 0.00000
33 0.0918 0.00000
34 0.1208 0.00000
35 0.0796 0.00000
36 -0.4278 0.00000
37 -0.1496 0.00000
38 -0.0132 0.00000
39 -0.3495 0.00000
40 0.2381 0.00000
41 0.0121 0.00000
42 0.1713 0.00000
43 0.1323 0.00000
44 -0.0028 0.00000
45 -0.5091 0.00000
46 0.0573 0.00000
47 0.3002 0.00000
48 -0.2338 0.00000
49 0.0337 0.00000
50 1.1527 0.00000
51 -0.0696 0.00000
52 0.4270 0.00000
53 0.0794 0.00000
54 -0.0088 0.00000
55 -0.0022 0.00000
56 -0.8096 0.00000
57 0.0388 0.00000
58 -0.0152 0.00000
59 0.7783 0.00000
60 -0.5057 0.00000
61 -0.0807 0.00000
62 0.1692 0.00000
63 -0.2790 0.00000
64 -0.4487 0.00000
65 -0.0265 0.00000
66 -0.1866 0.00000
67 0.7298 0.00000
68 -0.1211 0.00000
69 0.0195 0.00000
70 0.0046 0.00000
71 0.0973 0.00000
72 0.0503 0.00000
73 0.0351 0.00000
74 0.0155 0.00000
75 -0.0903 0.00000
76 0.0222 0.00000
77 -0.0342 0.00000
78 -0.0312 0.00000
79 0.2032 0.00000
80 0.0544 0.00000
81 0.1046 0.00000
82 0.0310 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0812 0.00000
89 0.1116 0.00000
90 -0.0101 0.00000
91 -0.0515 0.00000
92 -0.0594 0.00000
93 0.0462 0.00000
94 -0.1931 0.00000
95 0.2779 0.00000
96 0.1450 0.00000
97 -0.0524 0.00000
98 -0.0408 0.00000
99 -0.0222 0.00000
100 -0.2235 0.00000
101 -0.2086 0.00000
102 0.0486 0.00000
103 0.0689 0.00000
104 -0.0581 0.00000
105 0.0098 0.00000
106 0.1132 0.00000
107 -0.2224 0.00000
108 0.0799 0.00000
109 0.2217 0.00000
110 0.0772 0.00000
111 -0.0046 0.00000
112 0.0491 0.00000
113 0.0675 0.00000
114 -0.0460 0.00000
115 -0.1128 0.00000
116 -0.1803 0.00000
117 -0.1290 0.00000
118 0.0702 0.00000
119 0.0419 0.00000
120 0.0614 0.00000
121 0.0748 0.00000
122 -0.0527 0.00000
123 0.0189 0.00000
124 -0.0092 0.00000
125 -0.1299 0.00000
126 -0.0992 0.00000
127 -0.1456 0.00000
128 -0.0964 0.00000
129 0.1090 0.00000
130 0.0062 0.00000
131 -0.0088 0.00000
132 -0.0580 0.00000
133 0.0240 0.00000
134 -0.0383 0.00000
135 0.1291 0.00000
136 -0.0389 0.00000
137 -0.5867 0.00000
138 -0.1075 0.00000
139 0.0449 0.00000
140 0.0953 0.00000
141 -0.0484 0.00000
142 -0.1201 0.00000
143 0.0839 0.00000
144 0.1362 0.00000
145 0.1380 0.00000
146 -0.0659 0.00000
147 -0.0383 0.00000
148 0.1399 0.00000
149 0.1366 0.00000
150 0.1223 0.00000
151 0.1739 0.00000
152 0.0014 0.00000
153 -0.0408 0.00000
154 0.3518 0.00000
155 -0.0072 0.00000
156 -0.0044 0.00000
157 0.0436 0.00000
158 -0.0748 0.00000
159 0.0340 0.00000
160 0.0444 0.00000
161 -0.0118 0.00000
162 0.1950 0.00000
163 -0.0454 0.00000
164 0.0371 0.00000
165 0.0314 0.00000
166 -0.0421 0.00000
167 -0.2601 0.00000
168 0.0579 0.00000
169 -0.0310 0.00000
170 -0.0447 0.00000
171 0.0238 0.00000
172 0.1532 0.00000
173 -0.0664 0.00000
174 -0.0530 0.00000
175 -0.1516 0.00000
176 0.1274 0.00000
177 0.0820 0.00000
178 -0.0447 0.00000
179 -0.0283 0.00000
180 -0.0373 0.00000
181 -0.1748 0.00000
182 -0.0189 0.00000
183 0.0610 0.00000
184 -0.0326 0.00000
185 0.0420 0.00000
186 0.1269 0.00000
187 0.0262 0.00000
188 0.1584 0.00000
189 -0.0296 0.00000
190 -0.2932 0.00000
191 0.1208 0.00000
192 -0.0233 0.00000
193 -0.0254 0.00000
194 0.1952 0.00000
195 0.0808 0.00000
196 0.1091 0.00000
197 0.3210 0.00000
198 0.0283 0.00000
199 0.0630 0.00000
200 -0.0156 0.00000
201 0.3031 0.00000
202 -0.1390 0.00000
203 -0.0393 0.00000
204 0.1031 0.00000
205 0.0683 0.00000
206 0.0128 0.00000
207 -0.0371 0.00000
208 0.0552 0.00000
209 -0.1159 0.00000
210 0.0229 0.00000
211 0.0611 0.00000
212 0.0757 0.00000
213 -0.1005 0.00000
214 0.8284 0.00000
215 -0.2737 0.00000
216 0.0664 0.00000
217 0.0359 0.00000
218 -0.1288 0.00000
219 0.0819 0.00000
220 -0.0403 0.00000
221 -0.1322 0.00000
222 -0.0492 0.00000
223 -0.0850 0.00000
224 -0.4206 0.00000
225 0.1440 0.00000
226 0.1256 0.00000
227 -0.0384 0.00000
228 0.1068 0.00000
229 0.0962 0.00000
230 -0.0041 0.00000
231 -0.0545 0.00000
232 -0.1001 0.00000
233 -0.0653 0.00000
234 0.0455 0.00000
235 -0.1822 0.00000
236 0.0247 0.00000
237 0.0067 0.00000
238 -0.1214 0.00000
239 -0.0209 0.00000
240 -0.0490 0.00000
241 0.0193 0.00000
242 -0.0153 0.00000
243 -0.0208 0.00000
244 0.0142 0.00000
245 0.0120 0.00000
246 0.1109 0.00000
247 0.1223 0.00000
248 0.1124 0.00000
249 0.0546 0.00000
250 0.1481 0.00000
251 0.0729 0.00000
252 -0.2329 0.00000
253 0.0273 0.00000
254 -0.0265 0.00000
255 -0.0085 0.00000
256 0.0836 0.00000
257 0.0043 0.00000
258 0.0228 0.00000
259 0.0815 0.00000
260 -0.0207 0.00000
261 -0.0220 0.00000
262 0.1415 0.00000
263 0.0353 0.00000
264 0.0028 0.00000
265 0.0307 0.00000
266 0.0329 0.00000
267 0.1159 0.00000
268 -0.0054 0.00000
269 -0.0867 0.00000
270 0.0046 0.00000
271 0.0816 0.00000
272 0.0113 0.00000
273 0.1072 0.00000
274 -0.0055 0.00000
275 -0.0475 0.00000
276 0.0217 0.00000
277 0.0344 0.00000
278 -0.0197 0.00000
279 -0.0563 0.00000
280 0.1097 0.00000
281 -0.0504 0.00000
282 -0.0225 0.00000
283 -0.0486 0.00000
284 -0.0327 0.00000
285 -0.0151 0.00000
286 -0.0817 0.00000
287 0.0885 0.00000
288 -0.0733 0.00000
289 -0.0428 0.00000
290 0.0879 0.00000
291 0.0162 0.00000
292 0.0167 0.00000
293 -0.0484 0.00000
294 0.0049 0.00000
295 -0.0886 0.00000
296 -0.0310 0.00000
297 -0.0826 0.00000
298 -0.0210 0.00000
299 0.0114 0.00000
300 -0.0588 0.00000
301 0.0564 0.00000
302 -0.0245 0.00000
303 -0.0244 0.00000
304 -0.0151 0.00000
305 -0.0401 0.00000
306 -0.0126 0.00000
307 0.0273 0.00000
308 0.0186 0.00000
309 -0.0156 0.00000
310 -0.0361 0.00000
311 -0.0573 0.00000
312 -0.1305 0.00000
313 0.1608 0.00000
314 -0.0167 0.00000
315 -0.1033 0.00000
316 -0.0563 0.00000
317 0.0331 0.00000
318 0.0117 0.00000
319 -0.0389 0.00000
320 -0.0320 0.00000
321 0.1039 0.00000
322 0.0092 0.00000
323 -0.1009 0.00000
324 -0.0779 0.00000
325 -0.1059 0.00000
326 -0.0120 0.00000
327 -0.1137 0.00000
328 -0.0434 0.00000
329 0.0690 0.00000
330 -0.0665 0.00000
331 -0.0256 0.00000
332 -0.1348 0.00000
333 -0.1070 0.00000
334 -0.0227 0.00000
335 0.0326 0.00000
336 0.0022 0.00000
337 0.0017 0.00000
338 -0.1518 0.00000
339 -0.0587 0.00000
340 0.0180 0.00000
341 -0.0183 0.00000
342 0.1120 0.00000
343 0.1303 0.00000
344 -0.0863 0.00000
345 -0.0386 0.00000
346 0.1810 0.00000
347 -0.0106 0.00000
348 -0.1758 0.00000
349 -0.1482 0.00000
350 0.0005 0.00000
351 0.1759 0.00000
352 0.1333 0.00000
353 0.1558 0.00000
354 0.1113 0.00000
355 0.0240 0.00000
356 0.0384 0.00000
357 0.0029 0.00000
358 0.0127 0.00000
359 0.0267 0.00000
360 0.0547 0.00000
361 0.0753 0.00000
362 0.0434 0.00000
363 -0.0686 0.00000
364 0.0868 0.00000
365 -0.2206 0.00000
366 -0.0937 0.00000
367 0.0402 0.00000
368 0.0769 0.00000
369 -0.1088 0.00000
370 0.0661 0.00000
371 -0.0473 0.00000
372 0.0461 0.00000
373 -0.0330 0.00000
374 -0.0041 0.00000
375 -0.1693 0.00000
376 0.0457 0.00000
377 0.0025 0.00000
378 -0.0024 0.00000
379 -0.0384 0.00000
380 -0.0372 0.00000
381 -0.0222 0.00000
382 0.0960 0.00000
383 0.0762 0.00000
384 -0.0024 0.00000
385 0.0111 0.00000
386 -0.0491 0.00000
387 0.1669 0.00000
388 -0.1603 0.00000
389 0.0202 0.00000
390 0.0736 0.00000
391 -0.0405 0.00000
392 0.0086 0.00000
393 0.0173 0.00000
394 0.1497 0.00000
395 0.1989 0.00000
396 0.0839 0.00000
397 0.0966 0.00000
398 0.1353 0.00000
399 0.0391 0.00000
400 -0.0243 0.00000
401 0.0703 0.00000
402 -0.0367 0.00000
403 0.1512 0.00000
404 -0.0760 0.00000
405 0.0317 0.00000
406 -0.4365 0.00000
407 0.0332 0.00000
408 0.0444 0.00000
409 0.1709 0.00000
410 0.2210 0.00000
411 -0.0068 0.00000
412 -0.1333 0.00000
413 0.1425 0.00000
414 -0.0283 0.00000
415 -0.0608 0.00000
416 -0.0559 0.00000
417 0.0095 0.00000
418 -0.1649 0.00000
419 0.0956 0.00000
420 -0.0463 0.00000
421 0.0710 0.00000
422 -0.0174 0.00000
423 -0.1452 0.00000
424 -0.0480 0.00000
425 0.2033 0.00000
426 -0.0596 0.00000
427 -0.0453 0.00000
428 0.0433 0.00000
429 -0.0060 0.00000
430 0.0367 0.00000
431 0.0261 0.00000
432 0.0204 0.00000
433 -0.0321 0.00000
434 -0.0454 0.00000
435 -0.0741 0.00000
436 0.0218 0.00000
437 0.1060 0.00000
438 0.0240 0.00000
439 -0.0460 0.00000
440 0.0328 0.00000
441 0.0275 0.00000
442 0.0248 0.00000
443 -0.0195 0.00000
444 0.0091 0.00000
445 -0.0527 0.00000
446 -0.0109 0.00000
447 0.0567 0.00000
448 -0.0051 0.00000
449 0.0620 0.00000
450 0.1522 0.00000
451 0.0550 0.00000
452 0.0033 0.00000
453 -0.0543 0.00000
454 0.0329 0.00000
455 0.0084 0.00000
456 -0.0059 0.00000
457 0.0242 0.00000
458 -0.0071 0.00000
459 -0.0214 0.00000
460 0.0250 0.00000
461 -0.0056 0.00000
462 0.0555 0.00000
463 -0.0862 0.00000
464 0.0135 0.00000
465 -0.0128 0.00000
466 0.0296 0.00000
467 0.1323 0.00000
468 0.1005 0.00000
469 0.0827 0.00000
470 -0.0187 0.00000
471 0.1241 0.00000
472 -0.0289 0.00000
473 -0.1329 0.00000
474 -0.0660 0.00000
475 -0.1388 0.00000
476 0.0281 0.00000
477 0.0634 0.00000
478 -0.0369 0.00000
479 -0.0798 0.00000
480 -0.0622 0.00000
481 0.0260 0.00000
482 -0.1318 0.00000
483 0.0379 0.00000
484 -0.0894 0.00000
485 0.0150 0.00000
486 0.0124 0.00000
487 0.0573 0.00000
488 -0.0220 0.00000
489 -0.0430 0.00000
490 0.0951 0.00000
491 0.0367 0.00000
492 -0.1356 0.00000
493 0.0581 0.00000
494 0.0470 0.00000
495 -0.1673 0.00000
496 -0.0223 0.00000
497 -0.0570 0.00000
498 -0.0787 0.00000
499 0.0774 0.00000
500 0.0428 0.00000
501 0.0044 0.00000
502 0.0522 0.00000
503 0.0326 0.00000
504 0.0515 0.00000
505 0.0682 0.00000
506 0.0286 0.00000
507 -0.0142 0.00000
508 0.0461 0.00000
509 0.1170 0.00000
510 0.0266 0.00000
511 0.0352 0.00000
512 0.0356 0.00000
513 -0.0527 0.00000
514 0.0208 0.00000
515 0.0102 0.00000
516 0.0348 0.00000
517 -0.0106 0.00000
518 0.2997 0.00000
519 -0.0237 0.00000
520 0.1917 0.00000
521 0.0909 0.00000
522 0.1328 0.00000
523 -0.0008 0.00000
524 -0.0486 0.00000
525 -0.0904 0.00000
526 0.0207 0.00000
527 -0.0271 0.00000
528 0.0388 0.00000
529 0.0749 0.00000
530 -0.0190 0.00000
531 0.0202 0.00000
532 0.0066 0.00000
533 -0.0095 0.00000
534 -0.0803 0.00000
535 0.0291 0.00000
536 -0.0232 0.00000
537 0.0485 0.00000
538 -0.1842 0.00000
539 0.0664 0.00000
540 -0.0089 0.00000
541 0.0741 0.00000
542 0.0701 0.00000
543 -0.0182 0.00000
544 0.0327 0.00000
545 0.1437 0.00000
546 0.0430 0.00000
547 -0.0078 0.00000
548 -0.0463 0.00000
549 0.0038 0.00000
550 0.0292 0.00000
551 -0.0371 0.00000
552 0.0143 0.00000
553 0.0058 0.00000
554 -0.0297 0.00000
555 0.0277 0.00000
556 -0.0078 0.00000
557 -0.0556 0.00000
558 -0.0170 0.00000
559 0.0006 0.00000
560 -0.0056 0.00000
561 -0.0265 0.00000
562 0.0229 0.00000
563 -0.0296 0.00000
564 -0.0316 0.00000
565 0.0227 0.00000
566 -0.0662 0.00000
567 0.0159 0.00000
568 -0.0588 0.00000
569 -0.0464 0.00000
570 -0.1082 0.00000
571 -0.1674 0.00000
572 0.0051 0.00000
573 0.0136 0.00000
574 -0.0352 0.00000
575 -0.0641 0.00000
576 -0.1178 0.00000
577 -0.0442 0.00000
578 -0.0390 0.00000
579 -0.0264 0.00000
580 0.0500 0.00000
581 -0.1036 0.00000
582 -0.0384 0.00000
583 0.0373 0.00000
584 -0.0412 0.00000
585 -0.0372 0.00000
586 0.0377 0.00000
587 0.0476 0.00000
588 0.1285 0.00000
589 0.0028 0.00000
590 -0.0079 0.00000
591 0.0073 0.00000
592 -0.0246 0.00000
593 -0.0282 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0037 0.00000
597 0.0227 0.00000
598 -0.0025 0.00000
599 0.0050 0.00000
600 0.0902 0.00000
601 0.0284 0.00000
602 0.0887 0.00000
603 0.0436 0.00000
604 0.0526 0.00000
605 0.0055 0.00000
606 -0.0327 0.00000
607 -0.0144 0.00000
608 0.0092 0.00000
609 -0.0013 0.00000
610 0.0164 0.00000
611 0.0987 0.00000
612 -0.0029 0.00000
613 0.0156 0.00000
614 0.0073 0.00000
615 0.0078 0.00000
616 -0.0003 0.00000
617 0.0078 0.00000
618 0.1274 0.00000
619 -0.0108 0.00000
620 0.0559 0.00000
621 -0.0580 0.00000
622 -0.0132 0.00000
623 0.0457 0.00000
624 0.0337 0.00000
625 -0.0100 0.00000
626 -0.0051 0.00000
627 0.0409 0.00000
628 0.0215 0.00000
629 -0.0621 0.00000
630 0.0139 0.00000
631 0.0152 0.00000
632 0.0195 0.00000
633 0.1140 0.00000
634 0.0026 0.00000
635 0.0004 0.00000
636 -0.0656 0.00000
637 -0.0620 0.00000
638 0.0358 0.00000
639 0.0785 0.00000
640 -0.0703 0.00000
641 -0.0061 0.00000
642 -0.0329 0.00000
643 -0.0688 0.00000
644 0.0303 0.00000
645 0.0259 0.00000
646 -0.0026 0.00000
647 0.0336 0.00000
648 0.0127 0.00000
649 0.0125 0.00000
650 0.0156 0.00000
651 0.0209 0.00000
652 0.0261 0.00000
653 -0.0216 0.00000
654 -0.0179 0.00000
655 -0.0577 0.00000
656 0.0065 0.00000
657 0.0931 0.00000
658 -0.0339 0.00000
659 0.0252 0.00000
660 -0.0332 0.00000
661 0.0062 0.00000
662 -0.0613 0.00000
663 0.0535 0.00000
664 0.0153 0.00000
665 -0.0618 0.00000
666 0.0572 0.00000
667 -0.0326 0.00000
668 -0.0738 0.00000
669 0.0490 0.00000
670 -0.0462 0.00000
671 -0.0150 0.00000
672 0.0051 0.00000
673 -0.1152 0.00000
674 0.0483 0.00000
675 -0.0577 0.00000
676 0.1295 0.00000
677 0.0101 0.00000
678 -0.0175 0.00000
679 0.0181 0.00000
680 -0.0443 0.00000
681 0.0255 0.00000
682 -0.0221 0.00000
683 0.0090 0.00000
684 0.0012 0.00000
685 0.0266 0.00000
686 -0.0149 0.00000
687 -0.0703 0.00000
688 0.0209 0.00000
689 -0.0029 0.00000
690 0.0309 0.00000
691 0.0089 0.00000
692 0.0138 0.00000
693 -0.0146 0.00000
694 0.1321 0.00000
695 0.0245 0.00000
696 0.0004 0.00000
697 0.0188 0.00000
698 0.0246 0.00000
699 0.0474 0.00000
700 -0.0511 0.00000
701 -0.0337 0.00000
702 -0.0145 0.00000
703 0.0257 0.00000
704 0.0846 0.00000
705 -0.0311 0.00000
706 -0.0095 0.00000
707 -0.0934 0.00000
708 0.0180 0.00000
709 0.0822 0.00000
710 -0.0115 0.00000
711 0.0044 0.00000
712 0.1161 0.00000
713 -0.1257 0.00000
714 0.0417 0.00000
715 0.0296 0.00000
716 0.0216 0.00000
717 0.0439 0.00000
718 0.0598 0.00000
719 -0.0278 0.00000
720 0.0190 0.00000
721 0.0006 0.00000
722 0.0528 0.00000
723 -0.0293 0.00000
724 -0.0773 0.00000
725 -0.0317 0.00000
726 0.0183 0.00000
727 0.0319 0.00000
728 -0.0505 0.00000
729 0.0317 0.00000
730 0.0156 0.00000
731 -0.0585 0.00000
732 -0.0032 0.00000
733 -0.0019 0.00000
734 0.0242 0.00000
735 -0.0468 0.00000
736 0.0250 0.00000
737 -0.1551 0.00000
738 -0.0500 0.00000
739 -0.0518 0.00000
740 0.0237 0.00000
741 -0.0329 0.00000
742 0.0205 0.00000
743 -0.0193 0.00000
744 0.0499 0.00000
745 -0.0220 0.00000
746 0.0053 0.00000
747 -0.0192 0.00000
748 0.0517 0.00000
749 -0.0160 0.00000
750 0.0179 0.00000
751 -0.0286 0.00000
752 -0.0226 0.00000
753 -0.0078 0.00000
754 -0.0124 0.00000
755 -0.0379 0.00000
756 -0.0369 0.00000
757 -0.0538 0.00000
758 -0.0481 0.00000
759 0.0541 0.00000
760 0.0383 0.00000
761 -0.0444 0.00000
762 -0.0127 0.00000
763 0.0017 0.00000
764 -0.0260 0.00000
765 0.0512 0.00000
766 -0.0678 0.00000
767 -0.0400 0.00000
768 0.0057 0.00000
769 -0.0457 0.00000
770 0.0205 0.00000
771 -0.1190 0.00000
772 -0.0335 0.00000
773 -0.0237 0.00000
774 0.0290 0.00000
775 -0.0068 0.00000
776 -0.0463 0.00000
777 -0.0018 0.00000
778 0.0365 0.00000
779 -0.0067 0.00000
780 -0.0070 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0236 0.00000
5 0.1409 0.00000
6 0.2831 0.00000
7 0.0218 0.00000
8 0.1146 0.00000
9 0.1991 0.00000
10 0.0613 0.00000
11 0.0035 0.00000
12 -0.0114 0.00000
13 -0.0828 0.00000
14 -0.0088 0.00000
15 -0.2342 0.00000
16 -0.2230 0.00000
17 0.0345 0.00000
18 0.4136 0.00000
19 -0.0242 0.00000
20 -0.0129 0.00000
21 0.0112 0.00000
22 0.2335 0.00000
23 0.2273 0.00000
24 0.0978 0.00000
25 0.2238 0.00000
26 0.0527 0.00000
27 0.0971 0.00000
28 -0.1048 0.00000
29 0.1497 0.00000
30 -0.0721 0.00000
31 -0.7537 0.00000
32 -0.2693 0.00000
33 0.1057 0.00000
34 0.1043 0.00000
35 0.0731 0.00000
36 -0.5142 0.00000
37 -0.1284 0.00000
38 0.0388 0.00000
39 -0.3251 0.00000
40 0.2379 0.00000
41 0.0205 0.00000
42 0.0027 0.00000
43 0.1319 0.00000
44 -0.3143 0.00000
45 -0.0385 0.00000
46 0.3131 0.00000
47 0.2434 0.00000
48 -0.5022 0.00000
49 0.5131 0.00000
50 0.1302 0.00000
51 0.1472 0.00000
52 0.7080 0.00000
53 0.0987 0.00000
54 -0.0935 0.00000
55 -0.0647 0.00000
56 -0.6096 0.00000
57 0.0382 0.00000
58 -0.0553 0.00000
59 -0.3452 0.00000
60 0.8146 0.00000
61 -0.0952 0.00000
62 -0.1372 0.00000
63 0.1181 0.00000
64 -0.6615 0.00000
65 -0.0358 0.00000
66 -0.1927 0.00000
67 -0.0059 0.00000
68 0.6184 0.00000
69 -0.0159 0.00000
70 0.0106 0.00000
71 0.0959 0.00000
72 0.0505 0.00000
73 0.0549 0.00000
74 0.0007 0.00000
75 -0.0824 0.00000
76 0.0165 0.00000
77 -0.0341 0.00000
78 -0.0133 0.00000
79 0.1864 0.00000
80 0.0526 0.00000
81 0.1051 0.00000
82 0.0310 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0811 0.00000
89 0.1137 0.00000
90 -0.0143 0.00000
91 -0.0086 0.00000
92 -0.0874 0.00000
93 0.0145 0.00000
94 -0.1760 0.00000
95 0.2330 0.00000
96 0.1913 0.00000
97 0.0155 0.00000
98 -0.0324 0.00000
99 -0.0077 0.00000
100 -0.4477 0.00000
101 -0.0796 0.00000
102 0.0673 0.00000
103 -0.1129 0.00000
104 0.0991 0.00000
105 0.0032 0.00000
106 0.1017 0.00000
107 0.1537 0.00000
108 -0.0119 0.00000
109 -0.0144 0.00000
110 0.0437 0.00000
111 -0.0167 0.00000
112 0.0350 0.00000
113 0.0613 0.00000
114 -0.0849 0.00000
115 -0.0403 0.00000
116 -0.1846 0.00000
117 -0.1192 0.00000
118 0.0775 0.00000
119 0.0479 0.00000
120 0.0624 0.00000
121 0.0387 0.00000
122 -0.0380 0.00000
123 0.0900 0.00000
124 -0.0723 0.00000
125 -0.1219 0.00000
126 -0.0846 0.00000
127 -0.1468 0.00000
128 -0.0940 0.00000
129 0.0964 0.00000
130 0.0074 0.00000
131 0.0200 0.00000
132 -0.1870 0.00000
133 0.1338 0.00000
134 -0.0466 0.00000
135 0.1305 0.00000
136 -0.1141 0.00000
137 -0.4548 0.00000
138 -0.1540 0.00000
139 0.0367 0.00000
140 0.0806 0.00000
141 -0.0482 0.00000
142 -0.1272 0.00000
143 0.0889 0.00000
144 0.1437 0.00000
145 0.1234 0.00000
146 -0.0523 0.00000
147 -0.0394 0.00000
148 0.1359 0.00000
149 0.1571 0.00000
150 0.1048 0.00000
151 0.0731 0.00000
152 -0.0417 0.00000
153 0.2461 0.00000
154 0.2002 0.00000
155 0.0625 0.00000
156 -0.0039 0.00000
157 0.0177 0.00000
158 0.1102 0.00000
159 -0.0057 0.00000
160 0.0078 0.00000
161 0.2693 0.00000
162 0.0072 0.00000
163 -0.1673 0.00000
164 -0.1871 0.00000
165 -0.0399 0.00000
166 -0.0612 0.00000
167 -0.2018 0.00000
168 0.0061 0.00000
169 -0.0194 0.00000
170 0.0603 0.00000
171 0.0566 0.00000
172 0.0520 0.00000
173 0.0890 0.00000
174 -0.1616 0.00000
175 0.0481 0.00000
176 0.1020 0.00000
177 -0.2677 0.00000
178 0.0172 0.00000
179 -0.0282 0.00000
180 0.2023 0.00000
181 0.0614 0.00000
182 0.0076 0.00000
183 -0.0264 0.00000
184 0.1261 0.00000
185 0.0029 0.00000
186 0.1180 0.00000
187 -0.5118 0.00000
188 -0.0811 0.00000
189 0.0390 0.00000
190 0.0988 0.00000
191 0.0569 0.00000
192 -0.0036 0.00000
193 0.1059 0.00000
194 0.0433 0.00000
195 0.1432 0.00000
196 0.0697 0.00000
197 0.2340 0.00000
198 -0.0164 0.00000
199 -0.0119 0.00000
200 0.0597 0.00000
201 0.3158 0.00000
202 0.3378 0.00000
203 -0.0839 0.00000
204 -0.1848 0.00000
205 -0.0271 0.00000
206 0.0435 0.00000
207 -0.1657 0.00000
208 0.0984 0.00000
209 0.0013 0.00000
210 -0.0076 0.00000
211 0.5303 0.00000
212 0.1165 0.00000
213 0.0573 0.00000
214 0.3105 0.00000
215 -0.2045 0.00000
216 -0.0952 0.00000
217 -0.2625 0.00000
218 -0.1081 0.00000
219 0.2788 0.00000
220 0.0011 0.00000
221 -0.1181 0.00000
222 -0.0008 0.00000
223 -0.2284 0.00000
224 -0.2568 0.00000
225 0.2578 0.00000
226 -0.0266 0.00000
227 -0.0333 0.00000
228 0.0975 0.00000
229 0.0938 0.00000
230 0.0147 0.00000
231 -0.0543 0.00000
232 -0.1017 0.00000
233 -0.0634 0.00000
234 0.0477 0.00000
235 -0.1443 0.00000
236 -0.0057 0.00000
237 -0.0269 0.00000
238 -0.0765 0.00000
239 0.0094 0.00000
240 -0.0393 0.00000
241 -0.0333 0.00000
242 0.0348 0.00000
243 -0.0337 0.00000
244 0.0015 0.00000
245 -0.0067 0.00000
246 0.0389 0.00000
247 0.1334 0.00000
248 0.1197 0.00000
249 0.0455 0.00000
250 0.2948 0.00000
251 0.0190 0.00000
252 -0.4398 0.00000
253 -0.0081 0.00000
254 0.0630 0.00000
255 0.0116 0.00000
256 0.0623 0.00000
257 0.0808 0.00000
258 0.0909 0.00000
259 0.0871 0.00000
260 -0.0131 0.00000
261 0.0697 0.00000
262 -0.0368 0.00000
263 0.0725 0.00000
264 0.0178 0.00000
265 0.0119 0.00000
266 0.0162 0.00000
267 0.1327 0.00000
268 0.0449 0.00000
269 -0.0005 0.00000
270 -0.0424 0.00000
271 0.0658 0.00000
272 -0.0450 0.00000
273 0.1640 0.00000
274 -0.0701 0.00000
275 0.0173 0.00000
276 0.0042 0.00000
277 -0.0536 0.00000
278 -0.0601 0.00000
279 0.0310 0.00000
280 -0.0173 0.00000
281 -0.0231 0.00000
282 -0.0131 0.00000
283 -0.0085 0.00000
284 0.0087 0.00000
285 0.0447 0.00000
286 0.0442 0.00000
287 0.0171 0.00000
288 -0.0475 0.00000
289 -0.0047 0.00000
290 -0.1062 0.00000
291 -0.0370 0.00000
292 0.0004 0.00000
293 -0.1782 0.00000
294 0.0817 0.00000
295 -0.0640 0.00000
296 0.0070 0.00000
297 -0.0327 0.00000
298 -0.0555 0.00000
299 -0.0272 0.00000
300 0.0514 0.00000
301 -0.0357 0.00000
302 -0.0191 0.00000
303 0.0275 0.00000
304 -0.0680 0.00000
305 -0.0017 0.00000
306 0.0121 0.00000
307 0.0193 0.00000
308 0.0657 0.00000
309 -0.0654 0.00000
310 -0.0233 0.00000
311 -0.1039 0.00000
312 -0.0445 0.00000
313 -0.0656 0.00000
314 -0.0192 0.00000
315 0.0561 0.00000
316 0.0749 0.00000
317 0.0344 0.00000
318 0.0258 0.00000
319 0.0112 0.00000
320 -0.0833 0.00000
321 -0.0272 0.00000
322 0.0265 0.00000
323 -0.0297 0.00000
324 -0.0409 0.00000
325 -0.0113 0.00000
326 -0.0196 0.00000
327 0.0543 0.00000
328 -0.1602 0.00000
329 -0.0430 0.00000
330 0.0007 0.00000
331 -0.0620 0.00000
332 -0.0274 0.00000
333 -0.0685 0.00000
334 -0.0011 0.00000
335 -0.0165 0.00000
336 -0.0070 0.00000
337 -0.3067 0.00000
338 0.0175 0.00000
339 0.0178 0.00000
340 -0.0615 0.00000
341 0.0003 0.00000
342 -0.0204 0.00000
343 -0.0542 0.00000
344 -0.0699 0.00000
345 -0.1266 0.00000
346 0.0258 0.00000
347 -0.0320 0.00000
348 0.0044 0.00000
349 0.1358 0.00000
350 -0.0519 0.00000
351 0.1418 0.00000
352 0.2147 0.00000
353 -0.0711 0.00000
354 0.0152 0.00000
355 0.0644 0.00000
356 0.0584 0.00000
357 0.1174 0.00000
358 0.1137 0.00000
359 -0.0267 0.00000
360 0.0632 0.00000
361 0.0429 0.00000
362 -0.0486 0.00000
363 0.0317 0.00000
364 0.1482 0.00000
365 -0.1692 0.00000
366 -0.0112 0.00000
367 0.0406 0.00000
368 -0.2165 0.00000
369 0.0828 0.00000
370 0.0243 0.00000
371 -0.0320 0.00000
372 -0.0238 0.00000
373 -0.0097 0.00000
374 0.0454 0.00000
375 0.0045 0.00000
376 0.1836 0.00000
377 0.0379 0.00000
378 -0.1519 0.00000
379 0.0875 0.00000
380 -0.0883 0.00000
381 -0.0495 0.00000
382 -0.0644 0.00000
383 -0.0480 0.00000
384 -0.1101 0.00000
385 0.0418 0.00000
386 -0.0028 0.00000
387 0.3351 0.00000
388 -0.0967 0.00000
389 0.2128 0.00000
390 0.0609 0.00000
391 0.1201 0.00000
392 0.0242 0.00000
393 0.0325 0.00000
394 -0.0277 0.00000
395 -0.0723 0.00000
396 0.0085 0.00000
397 -0.1542 0.00000
398 0.0394 0.00000
399 0.0027 0.00000
400 0.0528 0.00000
401 0.1488 0.00000
402 0.0214 0.00000
403 0.0629 0.00000
404 0.0996 0.00000
405 -0.1355 0.00000
406 0.1160 0.00000
407 -0.2511 0.00000
408 -0.0219 0.00000
409 0.1232 0.00000
410 -0.0437 0.00000
411 0.1190 0.00000
412 -0.0671 0.00000
413 0.0390 0.00000
414 0.0350 0.00000
415 0.1643 0.00000
416 0.0110 0.00000
417 0.1501 0.00000
418 -0.1176 0.00000
419 0.0117 0.00000
420 -0.0205 0.00000
421 -0.0946 0.00000
422 -0.0773 0.00000
423 -0.1250 0.00000
424 -0.0712 0.00000
425 0.0979 0.00000
426 -0.0321 0.00000
427 0.0805 0.00000
428 -0.0811 0.00000
429 0.0004 0.00000
430 -0.0419 0.00000
431 -0.0022 0.00000
432 0.0833 0.00000
433 0.0073 0.00000
434 0.0631 0.00000
435 -0.0390 0.00000
436 0.0221 0.00000
437 0.0192 0.00000
438 0.1020 0.00000
439 0.1479 0.00000
440 -0.0196 0.00000
441 0.0196 0.00000
442 -0.0417 0.00000
443 -0.0060 0.00000
444 0.0470 0.00000
445 0.0114 0.00000
446 -0.0449 0.00000
447 0.0986 0.00000
448 0.1055 0.00000
449 0.0146 0.00000
450 -0.1287 0.00000
451 -0.0474 0.00000
452 -0.1025 0.00000
453 0.0213 0.00000
454 0.0546 0.00000
455 0.1231 0.00000
456 0.0371 0.00000
457 -0.1368 0.00000
458 0.0075 0.00000
459 0.1515 0.00000
460 0.0107 0.00000
461 -0.0103 0.00000
462 0.0082 0.00000
463 0.0196 0.00000
464 -0.0128 0.00000
465 0.0518 0.00000
466 0.0501 0.00000
467 -0.0036 0.00000
468 -0.1113 0.00000
469 0.0163 0.00000
470 0.0521 0.00000
471 -0.0115 0.00000
472 -0.1092 0.00000
473 0.0336 0.00000
474 -0.0021 0.00000
475 0.0244 0.00000
476 0.0272 0.00000
477 -0.0596 0.00000
478 -0.0076 0.00000
479 0.0643 0.00000
480 0.0496 0.00000
481 -0.1860 0.00000
482 0.0204 0.00000
483 0.0371 0.00000
484 0.0140 0.00000
485 0.0382 0.00000
486 -0.0853 0.00000
487 0.1251 0.00000
488 0.0035 0.00000
489 -0.0136 0.00000
490 -0.3913 0.00000
491 0.0561 0.00000
492 -0.0256 0.00000
493 -0.0856 0.00000
494 -0.0452 0.00000
495 0.0479 0.00000
496 0.0768 0.00000
497 -0.0096 0.00000
498 0.0123 0.00000
499 -0.0179 0.00000
500 0.0531 0.00000
501 0.0987 0.00000
502 0.0144 0.00000
503 -0.0124 0.00000
504 -0.0613 0.00000
505 0.0272 0.00000
506 0.0197 0.00000
507 0.0745 0.00000
508 0.0378 0.00000
509 0.0303 0.00000
510 0.0127 0.00000
511 -0.0335 0.00000
512 0.1441 0.00000
513 0.1035 0.00000
514 0.1377 0.00000
515 0.0184 0.00000
516 0.0214 0.00000
517 0.0737 0.00000
518 0.1750 0.00000
519 0.0158 0.00000
520 -0.0519 0.00000
521 -0.0247 0.00000
522 0.0775 0.00000
523 -0.0100 0.00000
524 0.0075 0.00000
525 -0.0281 0.00000
526 -0.0261 0.00000
527 0.0353 0.00000
528 0.0430 0.00000
529 -0.0033 0.00000
530 0.0595 0.00000
531 0.1725 0.00000
532 -0.1003 0.00000
533 0.0085 0.00000
534 -0.0170 0.00000
535 -0.0232 0.00000
536 0.0224 0.00000
537 0.0515 0.00000
538 0.0109 0.00000
539 0.0875 0.00000
540 0.0242 0.00000
541 -0.0820 0.00000
542 -0.0041 0.00000
543 0.0137 0.00000
544 0.0859 0.00000
545 0.0126 0.00000
546 0.0393 0.00000
547 0.0415 0.00000
548 -0.0492 0.00000
549 0.0446 0.00000
550 -0.0479 0.00000
551 -0.0696 0.00000
552 -0.0119 0.00000
553 0.0198 0.00000
554 0.0427 0.00000
555 0.0178 0.00000
556 0.0046 0.00000
557 -0.0262 0.00000
558 -0.0433 0.00000
559 -0.0218 0.00000
560 -0.0646 0.00000
561 0.0017 0.00000
562 0.0421 0.00000
563 -0.0254 0.00000
564 0.0381 0.00000
565 -0.0083 0.00000
566 -0.0682 0.00000
567 -0.1617 0.00000
568 -0.0815 0.00000
569 -0.0027 0.00000
570 -0.0538 0.00000
571 0.0260 0.00000
572 -0.0225 0.00000
573 -0.0581 0.00000
574 -0.0020 0.00000
575 -0.0707 0.00000
576 -0.0403 0.00000
577 0.0199 0.00000
578 -0.2306 0.00000
579 -0.0343 0.00000
580 0.0002 0.00000
581 -0.0447 0.00000
582 -0.0559 0.00000
583 0.0371 0.00000
584 -0.0402 0.00000
585 0.0407 0.00000
586 -0.0536 0.00000
587 0.0598 0.00000
588 0.1442 0.00000
589 0.0027 0.00000
590 -0.0192 0.00000
591 0.0093 0.00000
592 -0.0184 0.00000
593 -0.0291 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0037 0.00000
597 0.0228 0.00000
598 -0.0162 0.00000
599 0.0224 0.00000
600 0.1667 0.00000
601 0.0011 0.00000
602 -0.0764 0.00000
603 0.0486 0.00000
604 0.1135 0.00000
605 0.0553 0.00000
606 0.0096 0.00000
607 0.0248 0.00000
608 0.0471 0.00000
609 -0.0289 0.00000
610 -0.0326 0.00000
611 -0.0153 0.00000
612 0.0412 0.00000
613 0.0208 0.00000
614 0.0173 0.00000
615 0.0215 0.00000
616 0.0218 0.00000
617 0.0673 0.00000
618 0.0403 0.00000
619 -0.0015 0.00000
620 0.0461 0.00000
621 0.0254 0.00000
622 -0.0184 0.00000
623 0.0487 0.00000
624 -0.0108 0.00000
625 -0.0183 0.00000
626 -0.0516 0.00000
627 0.0286 0.00000
628 0.0399 0.00000
629 0.0625 0.00000
630 -0.0673 0.00000
631 -0.0153 0.00000
632 -0.0135 0.00000
633 0.0218 0.00000
634 0.0094 0.00000
635 0.0513 0.00000
636 -0.0453 0.00000
637 0.0508 0.00000
638 -0.0531 0.00000
639 -0.0035 0.00000
640 0.0400 0.00000
641 -0.0214 0.00000
642 -0.0280 0.00000
643 0.0270 0.00000
644 -0.0019 0.00000
645 -0.0211 0.00000
646 0.0373 0.00000
647 -0.0012 0.00000
648 -0.0389 0.00000
649 -0.0418 0.00000
650 -0.0064 0.00000
651 0.0024 0.00000
652 0.0666 0.00000
653 -0.0076 0.00000
654 0.0304 0.00000
655 0.0451 0.00000
656 0.0098 0.00000
657 -0.0232 0.00000
658 0.0170 0.00000
659 -0.0275 0.00000
660 -0.0096 0.00000
661 0.0187 0.00000
662 -0.0030 0.00000
663 -0.0350 0.00000
664 -0.0000 0.00000
665 0.0302 0.00000
666 0.0119 0.00000
667 -0.0802 0.00000
668 0.0012 0.00000
669 -0.0871 0.00000
670 0.0623 0.00000
671 -0.0606 0.00000
672 0.0328 0.00000
673 -0.0155 0.00000
674 -0.0169 0.00000
675 0.0711 0.00000
676 0.0071 0.00000
677 0.0491 0.00000
678 -0.0147 0.00000
679 -0.0263 0.00000
680 -0.0452 0.00000
681 0.0452 0.00000
682 -0.0260 0.00000
683 -0.1324 0.00000
684 -0.0215 0.00000
685 0.0215 0.00000
686 0.0187 0.00000
687 0.0738 0.00000
688 0.0150 0.00000
689 0.0133 0.00000
690 0.0562 0.00000
691 0.0241 0.00000
692 -0.0022 0.00000
693 0.0364 0.00000
694 -0.0288 0.00000
695 -0.0235 0.00000
696 0.0271 0.00000
697 0.0250 0.00000
698 -0.0042 0.00000
699 0.1139 0.00000
700 0.0609 0.00000
701 0.0115 0.00000
702 0.0023 0.00000
703 0.0162 0.00000
704 -0.1133 0.00000
705 0.0382 0.00000
706 0.0462 0.00000
707 -0.0235 0.00000
708 0.0351 0.00000
709 -0.0006 0.00000
710 0.1122 0.00000
711 -0.0538 0.00000
712 -0.0206 0.00000
713 -0.0248 0.00000
714 -0.0130 0.00000
715 0.0115 0.00000
716 0.0075 0.00000
717 0.0198 0.00000
718 -0.0774 0.00000
719 0.0267 0.00000
720 0.0874 0.00000
721 -0.0266 0.00000
722 -0.0057 0.00000
723 -0.0040 0.00000
724 -0.0311 0.00000
725 0.0178 0.00000
726 0.0420 0.00000
727 -0.0034 0.00000
728 -0.0196 0.00000
729 0.0115 0.00000
730 0.0215 0.00000
731 -0.0952 0.00000
732 -0.0753 0.00000
733 -0.0100 0.00000
734 -0.0955 0.00000
735 0.0052 0.00000
736 -0.0049 0.00000
737 -0.0610 0.00000
738 -0.0477 0.00000
739 -0.0119 0.00000
740 -0.0519 0.00000
741 0.0430 0.00000
742 -0.0159 0.00000
743 -0.0049 0.00000
744 -0.0378 0.00000
745 -0.0091 0.00000
746 0.0323 0.00000
747 0.0614 0.00000
748 0.0140 0.00000
749 -0.0253 0.00000
750 -0.0474 0.00000
751 0.0310 0.00000
752 0.0023 0.00000
753 -0.0317 0.00000
754 0.0186 0.00000
755 -0.0262 0.00000
756 0.0009 0.00000
757 -0.0142 0.00000
758 0.0011 0.00000
759 -0.0067 0.00000
760 -0.0562 0.00000
761 -0.0347 0.00000
762 0.0041 0.00000
763 0.0308 0.00000
764 -0.0282 0.00000
765 -0.0289 0.00000
766 -0.1147 0.00000
767 0.0229 0.00000
768 -0.0260 0.00000
769 0.0500 0.00000
770 0.0463 0.00000
771 -0.0517 0.00000
772 -0.0121 0.00000
773 -0.0127 0.00000
774 0.0172 0.00000
775 0.0448 0.00000
776 -0.0291 0.00000
777 0.0008 0.00000
778 0.0244 0.00000
779 -0.0388 0.00000
780 0.0276 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0260 0.00000
5 0.1386 0.00000
6 0.2829 0.00000
7 0.0220 0.00000
8 0.1147 0.00000
9 0.1996 0.00000
10 0.0615 0.00000
11 0.0037 0.00000
12 -0.0131 0.00000
13 -0.0823 0.00000
14 -0.0090 0.00000
15 -0.2317 0.00000
16 -0.2479 0.00000
17 0.1678 0.00000
18 0.2686 0.00000
19 -0.0132 0.00000
20 -0.0177 0.00000
21 0.0108 0.00000
22 0.2531 0.00000
23 0.1272 0.00000
24 0.1250 0.00000
25 0.3102 0.00000
26 0.1046 0.00000
27 0.1043 0.00000
28 -0.1023 0.00000
29 -0.0048 0.00000
30 -0.1082 0.00000
31 -0.6308 0.00000
32 -0.3229 0.00000
33 0.1019 0.00000
34 0.1273 0.00000
35 0.0725 0.00000
36 -0.4885 0.00000
37 -0.1144 0.00000
38 0.0338 0.00000
39 -0.3443 0.00000
40 0.2383 0.00000
41 0.0111 0.00000
42 0.0776 0.00000
43 0.1322 0.00000
44 -0.0688 0.00000
45 -0.3490 0.00000
46 0.3212 0.00000
47 0.2488 0.00000
48 -0.4884 0.00000
49 0.3502 0.00000
50 0.2635 0.00000
51 0.0371 0.00000
52 0.8670 0.00000
53 0.0846 0.00000
54 -0.0246 0.00000
55 -0.0719 0.00000
56 -0.6970 0.00000
57 0.0386 0.00000
58 -0.0245 0.00000
59 -0.3050 0.00000
60 0.8432 0.00000
61 -0.1725 0.00000
62 -0.0085 0.00000
63 -0.0973 0.00000
64 -0.6645 0.00000
65 0.0173 0.00000
66 -0.2016 0.00000
67 -0.0851 0.00000
68 0.6982 0.00000
69 0.0242 0.00000
70 0.0105 0.00000
71 0.0961 0.00000
72 0.0503 0.00000
73 0.0381 0.00000
74 0.0158 0.00000
75 -0.0907 0.00000
76 0.0215 0.00000
77 -0.0370 0.00000
78 -0.0313 0.00000
79 0.2053 0.00000
80 0.0538 0.00000
81 0.1056 0.00000
82 0.0310 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0812 0.00000
89 0.1116 0.00000
90 -0.0103 0.00000
91 -0.0510 0.00000
92 -0.0593 0.00000
93 0.0425 0.00000
94 -0.1788 0.00000
95 0.2714 0.00000
96 0.1271 0.00000
97 -0.0380 0.00000
98 -0.0828 0.00000
99 0.0117 0.00000
100 -0.2908 0.00000
101 -0.1138 0.00000
102 0.0425 0.00000
103 -0.0878 0.00000
104 0.0727 0.00000
105 0.0045 0.00000
106 0.1308 0.00000
107 -0.2123 0.00000
108 0.0046 0.00000
109 0.3084 0.00000
110 0.0467 0.00000
111 -0.0125 0.00000
112 0.0500 0.00000
113 0.0730 0.00000
114 -0.0413 0.00000
115 -0.1114 0.00000
116 -0.1913 0.00000
117 -0.1300 0.00000
118 0.0842 0.00000
119 0.0367 0.00000
120 0.0641 0.00000
121 0.0696 0.00000
122 -0.0481 0.00000
123 0.0712 0.00000
124 -0.0823 0.00000
125 -0.1029 0.00000
126 -0.0904 0.00000
127 -0.1537 0.00000
128 -0.0968 0.00000
129 0.1080 0.00000
130 0.0306 0.00000
131 -0.0101 0.00000
132 -0.0698 0.00000
133 0.0197 0.00000
134 -0.0435 0.00000
135 0.1282 0.00000
136 -0.0361 0.00000
137 -0.5870 0.00000
138 -0.1068 0.00000
139 0.0446 0.00000
140 0.0879 0.00000
141 -0.0480 0.00000
142 -0.1234 0.00000
143 0.0847 0.00000
144 0.1434 0.00000
145 0.1344 0.00000
146 -0.0645 0.00000
147 -0.0383 0.00000
148 0.1321 0.00000
149 0.1581 0.00000
150 0.1245 0.00000
151 0.1124 0.00000
152 -0.0157 0.00000
153 -0.0099 0.00000
154 0.3685 0.00000
155 0.1088 0.00000
156 -0.0557 0.00000
157 0.0430 0.00000
158 0.0296 0.00000
159 -0.0661 0.00000
160 0.0927 0.00000
161 0.0088 0.00000
162 0.0742 0.00000
163 0.0209 0.00000
164 -0.0333 0.00000
165 -0.0178 0.00000
166 -0.1022 0.00000
167 -0.0777 0.00000
168 0.0424 0.00000
169 -0.0261 0.00000
170 -0.0615 0.00000
171 0.0966 0.00000
172 -0.1263 0.00000
173 -0.0664 0.00000
174 -0.0173 0.00000
175 0.2053 0.00000
176 0.1276 0.00000
177 -0.1413 0.00000
178 -0.0056 0.00000
179 0.0109 0.00000
180 -0.3069 0.00000
181 0.0857 0.00000
182 -0.1105 0.00000
183 0.0704 0.00000
184 0.0328 0.00000
185 -0.0046 0.00000
186 0.2123 0.00000
187 -0.0189 0.00000
188 -0.3463 0.00000
189 0.0678 0.00000
190 0.0100 0.00000
191 0.1142 0.00000
192 0.2908 0.00000
193 -0.1313 0.00000
194 0.0343 0.00000
195 0.1112 0.00000
196 0.1018 0.00000
197 0.3073 0.00000
198 0.0092 0.00000
199 -0.0140 0.00000
200 0.1486 0.00000
201 0.0588 0.00000
202 0.2711 0.00000
203 -0.2205 0.00000
204 0.2382 0.00000
205 -0.1695 0.00000
206 -0.1475 0.00000
207 -0.0174 0.00000
208 0.0795 0.00000
209 -0.0085 0.00000
210 0.1329 0.00000
211 0.1523 0.00000
212 0.0310 0.00000
213 0.1862 0.00000
214 0.6513 0.00000
215 -0.2943 0.00000
216 -0.2102 0.00000
217 -0.0517 0.00000
218 0.0770 0.00000
219 -0.0524 0.00000
220 -0.1087 0.00000
221 -0.0254 0.00000
222 -0.0105 0.00000
223 -0.0757 0.00000
224 -0.4125 0.00000
225 0.2022 0.00000
226 0.0877 0.00000
227 -0.0441 0.00000
228 0.1103 0.00000
229 0.0955 0.00000
230 -0.0047 0.00000
231 -0.0548 0.00000
232 -0.1042 0.00000
233 -0.0655 0.00000
234 0.0450 0.00000
235 -0.1631 0.00000
236 0.0442 0.00000
237 -0.0133 0.00000
238 -0.1511 0.00000
239 -0.0074 0.00000
240 -0.0454 0.00000
241 0.0290 0.00000
242 -0.0153 0.00000
243 0.0164 0.00000
244 -0.0195 0.00000
245 0.0037 0.00000
246 0.1101 0.00000
247 0.1012 0.00000
248 0.1245 0.00000
249 0.0477 0.00000
250 0.1230 0.00000
251 0.1024 0.00000
252 -0.2740 0.00000
253 -0.0060 0.00000
254 -0.0492 0.00000
255 0.0076 0.00000
256 0.0826 0.00000
257 0.0242 0.00000
258 0.1201 0.00000
259 0.0439 0.00000
260 0.0134 0.00000
261 0.1007 0.00000
262 0.0049 0.00000
263 -0.0184 0.00000
264 0.0725 0.00000
265 0.0111 0.00000
266 0.0255 0.00000
267 0.1138 0.00000
268 -0.0040 0.00000
269 0.0198 0.00000
270 -0.0350 0.00000
271 -0.0040 0.00000
272 -0.0033 0.00000
273 0.1089 0.00000
274 0.0109 0.00000
275 0.0020 0.00000
276 0.0161 0.00000
277 -0.0059 0.00000
278 -0.0824 0.00000
279 0.0013 0.00000
280 0.0549 0.00000
281 0.0792 0.00000
282 -0.0685 0.00000
283 -0.0389 0.00000
284 -0.0632 0.00000
285 -0.0086 0.00000
286 0.1278 0.00000
287 -0.0644 0.00000
288 -0.0951 0.00000
289 -0.0089 0.00000
290 0.0084 0.00000
291 0.0109 0.00000
292 -0.0154 0.00000
293 0.0122 0.00000
294 -0.1707 0.00000
295 -0.0246 0.00000
296 -0.0012 0.00000
297 0.0652 0.00000
298 -0.1396 0.00000
299 0.0040 0.00000
300 -0.0249 0.00000
301 -0.0155 0.00000
302 0.0381 0.00000
303 0.0004 0.00000
304 -0.1360 0.00000
305 0.0203 0.00000
306 0.0551 0.00000
307 -0.0048 0.00000
308 -0.0194 0.00000
309 -0.0373 0.00000
310 -0.0826 0.00000
311 -0.0589 0.00000
312 -0.0691 0.00000
313 -0.0813 0.00000
314 0.0928 0.00000
315 0.1045 0.00000
316 -0.0671 0.00000
317 0.0071 0.00000
318 0.0897 0.00000
319 0.0025 0.00000
320 -0.0248 0.00000
321 0.0488 0.00000
322 -0.0100 0.00000
323 -0.0070 0.00000
324 -0.2043 0.00000
325 0.0222 0.00000
326 -0.0078 0.00000
327 0.0215 0.00000
328 -0.1379 0.00000
329 -0.0087 0.00000
330 -0.0855 0.00000
331 -0.0137 0.00000
332 0.0109 0.00000
333 -0.0297 0.00000
334 -0.0972 0.00000
335 0.0033 0.00000
336 -0.0703 0.00000
337 -0.0369 0.00000
338 -0.0378 0.00000
339 -0.1862 0.00000
340 -0.0082 0.00000
341 0.0167 0.00000
342 -0.0870 0.00000
343 0.0264 0.00000
344 0.0950 0.00000
345 0.0122 0.00000
346 0.0931 0.00000
347 -0.1085 0.00000
348 -0.1400 0.00000
349 0.0320 0.00000
350 -0.1181 0.00000
351 0.0532 0.00000
352 0.1918 0.00000
353 0.1119 0.00000
354 0.0441 0.00000
355 0.0703 0.00000
356 0.0538 0.00000
357 0.0654 0.00000
358 0.0952 0.00000
359 0.1595 0.00000
360 0.1442 0.00000
361 -0.0585 0.00000
362 -0.0788 0.00000
363 0.0128 0.00000
364 0.0867 0.00000
365 -0.0821 0.00000
366 -0.0220 0.00000
367 -0.0024 0.00000
368 -0.0061 0.00000
369 -0.2017 0.00000
370 0.0535 0.00000
371 0.0534 0.00000
372 -0.0280 0.00000
373 -0.0328 0.00000
374 -0.0078 0.00000
375 -0.0948 0.00000
376 0.0210 0.00000
377 -0.0632 0.00000
378 0.0025 0.00000
379 0.0294 0.00000
380 0.0451 0.00000
381 -0.0276 0.00000
382 -0.0455 0.00000
383 -0.0429 0.00000
384 0.1375 0.00000
385 -0.0248 0.00000
386 0.0297 0.00000
387 0.0184 0.00000
388 0.0596 0.00000
389 -0.0302 0.00000
390 -0.0775 0.00000
391 0.0758 0.00000
392 0.1509 0.00000
393 -0.0078 0.00000
394 0.0929 0.00000
395 -0.0004 0.00000
396 0.1206 0.00000
397 0.0601 0.00000
398 -0.0031 0.00000
399 0.0794 0.00000
400 0.0411 0.00000
401 0.1662 0.00000
402 0.1056 0.00000
403 0.0842 0.00000
404 0.0836 0.00000
405 -0.5815 0.00000
406 0.0024 0.00000
407 0.0644 0.00000
408 0.1010 0.00000
409 0.1575 0.00000
410 -0.0103 0.00000
411 -0.0344 0.00000
412 -0.0972 0.00000
413 0.0933 0.00000
414 -0.0319 0.00000
415 0.0373 0.00000
416 -0.0891 0.00000
417 -0.0667 0.00000
418 0.2287 0.00000
419 0.0175 0.00000
420 0.1596 0.00000
421 -0.2085 0.00000
422 0.0499 0.00000
423 0.0023 0.00000
424 -0.0297 0.00000
425 -0.0790 0.00000
426 -0.0408 0.00000
427 -0.0518 0.00000
428 0.0064 0.00000
429 -0.0096 0.00000
430 -0.0054 0.00000
431 -0.0423 0.00000
432 0.0657 0.00000
433 0.0241 0.00000
434 0.0413 0.00000
435 0.0593 0.00000
436 -0.0617 0.00000
437 -0.0263 0.00000
438 -0.0399 0.00000
439 -0.0263 0.00000
440 0.0083 0.00000
441 0.0411 0.00000
442 0.0214 0.00000
443 0.0024 0.00000
444 -0.0134 0.00000
445 0.0142 0.00000
446 0.0354 0.00000
447 -0.0215 0.00000
448 0.0048 0.00000
449 0.1343 0.00000
450 0.0208 0.00000
451 0.0006 0.00000
452 0.0660 0.00000
453 0.1126 0.00000
454 -0.0268 0.00000
455 0.0022 0.00000
456 0.0068 0.00000
457 0.0325 0.00000
458 -0.0725 0.00000
459 0.0210 0.00000
460 0.0003 0.00000
461 0.0331 0.00000
462 0.0376 0.00000
463 0.0095 0.00000
464 -0.0168 0.00000
465 0.0655 0.00000
466 -0.0018 0.00000
467 0.0197 0.00000
468 0.0331 0.00000
469 -0.0263 0.00000
470 0.1361 0.00000
471 0.0524 0.00000
472 0.0070 0.00000
473 -0.0806 0.00000
474 0.0081 0.00000
475 0.0111 0.00000
476 -0.0880 0.00000
477 0.0539 0.00000
478 -0.0413 0.00000
479 0.0190 0.00000
480 -0.2615 0.00000
481 -0.0578 0.00000
482 -0.0212 0.00000
483 -0.0189 0.00000
484 -0.0286 0.00000
485 0.0455 0.00000
486 -0.0433 0.00000
487 0.0706 0.00000
488 -0.0524 0.00000
489 0.0385 0.00000
490 -0.0534 0.00000
491 0.0385 0.00000
492 -0.0786 0.00000
493 -0.0020 0.00000
494 -0.1173 0.00000
495 0.0775 0.00000
496 0.0177 0.00000
497 0.0226 0.00000
498 -0.0696 0.00000
499 -0.0293 0.00000
500 -0.0255 0.00000
501 -0.0074 0.00000
502 0.0929 0.00000
503 0.0473 0.00000
504 0.0099 0.00000
505 0.0553 0.00000
506 0.0717 0.00000
507 0.0606 0.00000
508 -0.0057 0.00000
509 0.0019 0.00000
510 0.1138 0.00000
511 0.0345 0.00000
512 -0.0052 0.00000
513 0.0627 0.00000
514 0.0620 0.00000
515 0.0144 0.00000
516 -0.0051 0.00000
517 0.0726 0.00000
518 0.2019 0.00000
519 0.1227 0.00000
520 0.0227 0.00000
521 -0.0017 0.00000
522 0.0834 0.00000
523 -0.0947 0.00000
524 -0.0113 0.00000
525 0.0844 0.00000
526 0.0474 0.00000
527 0.0027 0.00000
528 0.0055 0.00000
529 -0.0241 0.00000
530 0.0302 0.00000
531 -0.0253 0.00000
532 0.0594 0.00000
533 -0.0404 0.00000
534 -0.0091 0.00000
535 -0.0300 0.00000
536 -0.0009 0.00000
537 0.0324 0.00000
538 0.0236 0.00000
539 0.0584 0.00000
540 -0.0511 0.00000
541 -0.0469 0.00000
542 -0.0345 0.00000
543 0.1275 0.00000
544 0.0189 0.00000
545 0.0993 0.00000
546 0.0775 0.00000
547 -0.0092 0.00000
548 -0.0635 0.00000
549 0.0415 0.00000
550 -0.0084 0.00000
551 0.0431 0.00000
552 0.0112 0.00000
553 -0.0458 0.00000
554 -0.0038 0.00000
555 -0.0203 0.00000
556 -0.0572 0.00000
557 -0.0630 0.00000
558 -0.0190 0.00000
559 0.0116 0.00000
560 0.0025 0.00000
561 -0.0071 0.00000
562 -0.0038 0.00000
563 0.0052 0.00000
564 -0.0034 0.00000
565 0.0171 0.00000
566 -0.0584 0.00000
567 -0.0028 0.00000
568 -0.0674 0.00000
569 -0.0919 0.00000
570 -0.0208 0.00000
571 -0.1204 0.00000
572 -0.0439 0.00000
573 -0.0455 0.00000
574 -0.0587 0.00000
575 0.0082 0.00000
576 -0.0867 0.00000
577 -0.0433 0.00000
578 0.0504 0.00000
579 -0.1577 0.00000
580 0.0057 0.00000
581 -0.0539 0.00000
582 -0.0740 0.00000
583 0.0536 0.00000
584 -0.0409 0.00000
585 -0.0196 0.00000
586 0.0223 0.00000
587 0.0428 0.00000
588 0.1332 0.00000
589 0.0028 0.00000
590 -0.0069 0.00000
591 0.0065 0.00000
592 -0.0238 0.00000
593 -0.0287 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0037 0.00000
597 0.0227 0.00000
598 -0.0042 0.00000
599 -0.0021 0.00000
600 0.0927 0.00000
601 0.0578 0.00000
602 0.0645 0.00000
603 0.0513 0.00000
604 0.0468 0.00000
605 0.0258 0.00000
606 -0.0182 0.00000
607 0.0060 0.00000
608 -0.0177 0.00000
609 0.0122 0.00000
610 0.0262 0.00000
611 0.0095 0.00000
612 0.0025 0.00000
613 0.0564 0.00000
614 -0.0310 0.00000
615 -0.0240 0.00000
616 0.0713 0.00000
617 0.0516 0.00000
618 0.0404 0.00000
619 -0.0009 0.00000
620 -0.0086 0.00000
621 0.0118 0.00000
622 0.0009 0.00000
623 0.0770 0.00000
624 -0.0564 0.00000
625 0.0249 0.00000
626 0.0699 0.00000
627 0.0133 0.00000
628 -0.0474 0.00000
629 0.0186 0.00000
630 0.0231 0.00000
631 0.0534 0.00000
632 0.0262 0.00000
633 -0.0118 0.00000
634 -0.0313 0.00000
635 -0.0572 0.00000
636 0.0155 0.00000
637 0.0751 0.00000
638 -0.0138 0.00000
639 0.0215 0.00000
640 0.0297 0.00000
641 0.0104 0.00000
642 -0.0635 0.00000
643 -0.0518 0.00000
644 -0.0786 0.00000
645 -0.0123 0.00000
646 0.0295 0.00000
647 0.0398 0.00000
648 0.0460 0.00000
649 -0.0330 0.00000
650 -0.0164 0.00000
651 0.0386 0.00000
652 0.0395 0.00000
653 0.0215 0.00000
654 0.0058 0.00000
655 0.0167 0.00000
656 -0.0276 0.00000
657 0.0046 0.00000
658 0.0042 0.00000
659 -0.0506 0.00000
660 0.0188 0.00000
661 -0.0228 0.00000
662 -0.0062 0.00000
663 -0.0291 0.00000
664 -0.1093 0.00000
665 0.0059 0.00000
666 0.1032 0.00000
667 0.0596 0.00000
668 -0.0037 0.00000
669 -0.0021 0.00000
670 0.0150 0.00000
671 -0.0591 0.00000
672 -0.0528 0.00000
673 -0.0021 0.00000
674 0.0687 0.00000
675 0.0510 0.00000
676 -0.0495 0.00000
677 -0.0848 0.00000
678 0.0063 0.00000
679 -0.0730 0.00000
680 0.0164 0.00000
681 0.0435 0.00000
682 0.0967 0.00000
683 -0.0606 0.00000
684 -0.0228 0.00000
685 0.0247 0.00000
686 0.0092 0.00000
687 0.0408 0.00000
688 0.0236 0.00000
689 -0.0261 0.00000
690 0.0210 0.00000
691 0.0060 0.00000
692 -0.0562 0.00000
693 0.0541 0.00000
694 -0.0099 0.00000
695 0.0491 0.00000
696 -0.0381 0.00000
697 0.0372 0.00000
698 0.0080 0.00000
699 0.0362 0.00000
700 -0.0132 0.00000
701 -0.0806 0.00000
702 -0.0277 0.00000
703 0.0057 0.00000
704 -0.0175 0.00000
705 0.1249 0.00000
706 -0.0057 0.00000
707 -0.0280 0.00000
708 0.1102 0.00000
709 -0.0138 0.00000
710 0.0238 0.00000
711 0.0070 0.00000
712 0.0036 0.00000
713 0.0601 0.00000
714 -0.0061 0.00000
715 0.0592 0.00000
716 0.0011 0.00000
717 -0.0334 0.00000
718 -0.0559 0.00000
719 -0.0099 0.00000
720 -0.0364 0.00000
721 0.0293 0.00000
722 0.0374 0.00000
723 0.0133 0.00000
724 0.0108 0.00000
725 -0.0953 0.00000
726 0.0173 0.00000
727 0.0096 0.00000
728 0.0431 0.00000
729 -0.0673 0.00000
730 -0.0164 0.00000
731 0.0076 0.00000
732 0.0022 0.00000
733 -0.0070 0.00000
734 0.0221 0.00000
735 0.0258 0.00000
736 -0.0279 0.00000
737 0.0942 0.00000
738 -0.0469 0.00000
739 -0.0150 0.00000
740 -0.0607 0.00000
741 -0.0525 0.00000
742 -0.0214 0.00000
743 0.0290 0.00000
744 0.0055 0.00000
745 -0.0518 0.00000
746 -0.0364 0.00000
747 -0.0558 0.00000
748 -0.0281 0.00000
749 -0.0047 0.00000
750 -0.0551 0.00000
751 -0.0171 0.00000
752 0.0657 0.00000
753 -0.0055 0.00000
754 -0.0435 0.00000
755 -0.0176 0.00000
756 0.0149 0.00000
757 0.0105 0.00000
758 0.0152 0.00000
759 -0.0494 0.00000
760 0.0025 0.00000
761 -0.0136 0.00000
762 0.0348 0.00000
763 -0.0128 0.00000
764 0.0456 0.00000
765 -0.0609 0.00000
766 -0.0186 0.00000
767 -0.0435 0.00000
768 -0.1011 0.00000
769 -0.0522 0.00000
770 0.0290 0.00000
771 -0.0195 0.00000
772 0.0244 0.00000
773 0.0228 0.00000
774 -0.0593 0.00000
775 0.0154 0.00000
776 -0.0418 0.00000
777 0.0072 0.00000
778 -0.0304 0.00000
779 0.0150 0.00000
780 0.0077 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0215 0.00000
5 0.1429 0.00000
6 0.2831 0.00000
7 0.0217 0.00000
8 0.1149 0.00000
9 0.1991 0.00000
10 0.0635 0.00000
11 0.0035 0.00000
12 -0.0131 0.00000
13 -0.0822 0.00000
14 -0.0092 0.00000
15 -0.2341 0.00000
16 -0.2413 0.00000
17 -0.0888 0.00000
18 0.4925 0.00000
19 0.0492 0.00000
20 -0.0037 0.00000
21 0.0113 0.00000
22 0.2267 0.00000
23 0.2100 0.00000
24 0.0788 0.00000
25 0.2377 0.00000
26 0.0708 0.00000
27 0.0827 0.00000
28 -0.2004 0.00000
29 0.1526 0.00000
30 -0.0141 0.00000
31 -0.7442 0.00000
32 -0.2718 0.00000
33 0.0938 0.00000
34 0.1267 0.00000
35 0.0798 0.00000
36 -0.4419 0.00000
37 -0.1477 0.00000
38 -0.0086 0.00000
39 -0.3631 0.00000
40 0.2372 0.00000
41 0.0180 0.00000
42 0.1180 0.00000
43 0.1316 0.00000
44 -0.0850 0.00000
45 -0.2698 0.00000
46 -0.0472 0.00000
47 0.2916 0.00000
48 -0.2310 0.00000
49 0.3974 0.00000
50 0.8285 0.00000
51 0.0172 0.00000
52 0.3039 0.00000
53 0.0737 0.00000
54 -0.1499 0.00000
55 -0.0402 0.00000
56 -0.6514 0.00000
57 0.0414 0.00000
58 -0.0379 0.00000
59 0.6239 0.00000
60 -0.2414 0.00000
61 -0.0653 0.00000
62 -0.0293 0.00000
63 0.1233 0.00000
64 -0.7245 0.00000
65 0.0071 0.00000
66 -0.1915 0.00000
67 0.0911 0.00000
68 0.4923 0.00000
69 -0.0142 0.00000
70 0.0113 0.00000
71 0.0964 0.00000
72 0.0505 0.00000
73 0.0535 0.00000
74 -0.0036 0.00000
75 -0.0788 0.00000
76 0.0143 0.00000
77 -0.0311 0.00000
78 -0.0219 0.00000
79 0.1930 0.00000
80 0.0531 0.00000
81 0.1051 0.00000
82 0.0309 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0811 0.00000
89 0.1146 0.00000
90 -0.0117 0.00000
91 -0.0537 0.00000
92 -0.0577 0.00000
93 0.0314 0.00000
94 -0.1899 0.00000
95 0.2787 0.00000
96 0.1159 0.00000
97 -0.0193 0.00000
98 -0.0099 0.00000
99 -0.0237 0.00000
100 -0.2262 0.00000
101 -0.2357 0.00000
102 0.0670 0.00000
103 -0.1001 0.00000
104 0.1055 0.00000
105 -0.0228 0.00000
106 0.1142 0.00000
107 -0.0257 0.00000
108 0.0698 0.00000
109 0.0131 0.00000
110 0.1797 0.00000
111 -0.0572 0.00000
112 0.0574 0.00000
113 0.0711 0.00000
114 -0.0590 0.00000
115 -0.1263 0.00000
116 -0.2020 0.00000
117 -0.0823 0.00000
118 0.0589 0.00000
119 0.0444 0.00000
120 0.0542 0.00000
121 0.0546 0.00000
122 -0.0273 0.00000
123 0.0396 0.00000
124 -0.0831 0.00000
125 -0.0808 0.00000
126 -0.0942 0.00000
127 -0.1370 0.00000
128 -0.0967 0.00000
129 0.1097 0.00000
130 -0.0107 0.00000
131 0.0044 0.00000
132 -0.1487 0.00000
133 0.1193 0.00000
134 -0.0500 0.00000
135 0.1303 0.00000
136 -0.0422 0.00000
137 -0.5623 0.00000
138 -0.1050 0.00000
139 0.0163 0.00000
140 0.0994 0.00000
141 -0.0484 0.00000
142 -0.1276 0.00000
143 0.0887 0.00000
144 0.1366 0.00000
145 0.1271 0.00000
146 -0.0538 0.00000
147 -0.0394 0.00000
148 0.1458 0.00000
149 0.1295 0.00000
150 0.1250 0.00000
151 0.2596 0.00000
152 -0.0021 0.00000
153 -0.1180 0.00000
154 0.2987 0.00000
155 0.0629 0.00000
156 0.0087 0.00000
157 -0.0010 0.00000
158 -0.1060 0.00000
159 0.0309 0.00000
160 0.0296 0.00000
161 0.0767 0.00000
162 0.1736 0.00000
163 0.0387 0.00000
164 0.0381 0.00000
165 -0.1608 0.00000
166 -0.0435 0.00000
167 -0.2572 0.00000
168 -0.1228 0.00000
169 0.0766 0.00000
170 0.1858 0.00000
171 0.0844 0.00000
172 0.1073 0.00000
173 -0.0568 0.00000
174 -0.0235 0.00000
175 0.0083 0.00000
176 -0.4561 0.00000
177 0.1325 0.00000
178 0.1567 0.00000
179 -0.1445 0.00000
180 -0.0013 0.00000
181 0.0430 0.00000
182 -0.0993 0.00000
183 0.1691 0.00000
184 0.0479 0.00000
185 -0.0522 0.00000
186 0.0225 0.00000
187 0.0616 0.00000
188 -0.1608 0.00000
189 0.1085 0.00000
190 0.0011 0.00000
191 -0.0986 0.00000
192 -0.0411 0.00000
193 0.1141 0.00000
194 0.1253 0.00000
195 0.1030 0.00000
196 0.1673 0.00000
197 0.3220 0.00000
198 -0.0151 0.00000
199 0.0457 0.00000
200 0.0450 0.00000
201 0.0444 0.00000
202 0.3678 0.00000
203 -0.1331 0.00000
204 -0.1387 0.00000
205 -0.0444 0.00000
206 0.1259 0.00000
207 0.1278 0.00000
208 -0.2718 0.00000
209 0.0029 0.00000
210 -0.0166 0.00000
211 0.1782 0.00000
212 0.0472 0.00000
213 0.0563 0.00000
214 0.7306 0.00000
215 -0.3995 0.00000
216 0.1108 0.00000
217 0.0671 0.00000
218 -0.0077 0.00000
219 0.0772 0.00000
220 -0.2205 0.00000
221 -0.1081 0.00000
222 0.0045 0.00000
223 -0.1273 0.00000
224 -0.3274 0.00000
225 0.1954 0.00000
226 0.0168 0.00000
227 -0.0389 0.00000
228 0.0989 0.00000
229 0.0945 0.00000
230 0.0124 0.00000
231 -0.0537 0.00000
232 -0.1008 0.00000
233 -0.0630 0.00000
234 0.0479 0.00000
235 -0.1796 0.00000
236 0.0492 0.00000
237 -0.0321 0.00000
238 -0.1012 0.00000
239 -0.0275 0.00000
240 -0.0350 0.00000
241 0.0020 0.00000
242 -0.0236 0.00000
243 0.0090 0.00000
244 -0.0054 0.00000
245 -0.0251 0.00000
246 0.0455 0.00000
247 0.1393 0.00000
248 0.1605 0.00000
249 0.1766 0.00000
250 0.1181 0.00000
251 -0.0845 0.00000
252 -0.1099 0.00000
253 -0.1023 0.00000
254 0.1087 0.00000
255 -0.0073 0.00000
256 0.0004 0.00000
257 0.0679 0.00000
258 0.0231 0.00000
259 0.0453 0.00000
260 0.0563 0.00000
261 -0.0136 0.00000
262 0.0300 0.00000
263 0.0398 0.00000
264 0.0289 0.00000
265 0.0044 0.00000
266 0.0254 0.00000
267 0.1229 0.00000
268 0.0032 0.00000
269 -0.0224 0.00000
270 0.0450 0.00000
271 0.0973 0.00000
272 -0.0641 0.00000
273 0.1636 0.00000
274 -0.0587 0.00000
275 0.0316 0.00000
276 -0.0300 0.00000
277 -0.0091 0.00000
278 0.0065 0.00000
279 -0.0503 0.00000
280 0.0321 0.00000
281 -0.0245 0.00000
282 -0.0777 0.00000
283 -0.0273 0.00000
284 0.0309 0.00000
285 -0.0382 0.00000
286 -0.2232 0.00000
287 0.1559 0.00000
288 0.0621 0.00000
289 -0.0598 0.00000
290 0.0508 0.00000
291 -0.0041 0.00000
292 -0.0365 0.00000
293 -0.1172 0.00000
294 0.0432 0.00000
295 0.0354 0.00000
296 0.0009 0.00000
297 0.0160 0.00000
298 -0.0987 0.00000
299 -0.0973 0.00000
300 0.0253 0.00000
301 0.0002 0.00000
302 -0.0275 0.00000
303 0.0102 0.00000
304 -0.0624 0.00000
305 0.0823 0.00000
306 -0.0271 0.00000
307 0.0070 0.00000
308 -0.1523 0.00000
309 -0.0195 0.00000
310 0.0434 0.00000
311 -0.0891 0.00000
312 0.0721 0.00000
313 -0.0101 0.00000
314 -0.0566 0.00000
315 -0.0553 0.00000
316 0.0222 0.00000
317 0.0189 0.00000
318 0.0232 0.00000
319 0.0350 0.00000
320 -0.0844 0.00000
321 -0.0025 0.00000
322 -0.0427 0.00000
323 0.0593 0.00000
324 -0.0572 0.00000
325 -0.0278 0.00000
326 -0.1024 0.00000
327 -0.0943 0.00000
328 -0.0365 0.00000
329 -0.0062 0.00000
330 -0.0182 0.00000
331 -0.1073 0.00000
332 0.0231 0.00000
333 0.0169 0.00000
334 -0.0256 0.00000
335 -0.0284 0.00000
336 -0.0671 0.00000
337 -0.0297 0.00000
338 -0.3378 0.00000
339 -0.0429 0.00000
340 0.0375 0.00000
341 0.0342 0.00000
342 0.0333 0.00000
343 0.0614 0.00000
344 -0.0039 0.00000
345 0.0246 0.00000
346 -0.0796 0.00000
347 -0.0652 0.00000
348 0.1952 0.00000
349 0.0314 0.00000
350 -0.0832 0.00000
351 0.1038 0.00000
352 0.1778 0.00000
353 0.1547 0.00000
354 -0.0175 0.00000
355 0.0188 0.00000
356 0.0482 0.00000
357 0.0398 0.00000
358 -0.0092 0.00000
359 -0.0164 0.00000
360 0.0708 0.00000
361 0.0116 0.00000
362 0.0357 0.00000
363 -0.0438 0.00000
364 0.0584 0.00000
365 -0.2160 0.00000
366 -0.0629 0.00000
367 0.2094 0.00000
368 -0.0559 0.00000
369 -0.0302 0.00000
370 0.0504 0.00000
371 0.0614 0.00000
372 -0.1774 0.00000
373 0.0069 0.00000
374 -0.0264 0.00000
375 0.1482 0.00000
376 -0.1182 0.00000
377 -0.1802 0.00000
378 -0.0100 0.00000
379 -0.0598 0.00000
380 0.0055 0.00000
381 0.0168 0.00000
382 0.0505 0.00000
383 0.1203 0.00000
384 0.0083 0.00000
385 -0.0512 0.00000
386 -0.0306 0.00000
387 -0.0538 0.00000
388 0.1386 0.00000
389 0.0029 0.00000
390 -0.0180 0.00000
391 0.0158 0.00000
392 0.1234 0.00000
393 -0.0203 0.00000
394 0.4487 0.00000
395 0.0271 0.00000
396 0.1108 0.00000
397 0.0470 0.00000
398 0.0133 0.00000
399 0.0209 0.00000
400 0.0446 0.00000
401 -0.0128 0.00000
402 0.0372 0.00000
403 -0.0471 0.00000
404 -0.1076 0.00000
405 0.0965 0.00000
406 0.0137 0.00000
407 -0.0754 0.00000
408 -0.1079 0.00000
409 0.3980 0.00000
410 0.0253 0.00000
411 -0.1339 0.00000
412 -0.1861 0.00000
413 0.0014 0.00000
414 -0.1824 0.00000
415 0.0219 0.00000
416 -0.0239 0.00000
417 0.1090 0.00000
418 0.0539 0.00000
419 0.0395 0.00000
420 -0.0010 0.00000
421 0.0323 0.00000
422 -0.0151 0.00000
423 -0.0501 0.00000
424 -0.1232 0.00000
425 -0.1205 0.00000
426 -0.0998 0.00000
427 -0.0117 0.00000
428 -0.0041 0.00000
429 0.2670 0.00000
430 0.0501 0.00000
431 0.0274 0.00000
432 0.0846 0.00000
433 -0.0384 0.00000
434 0.0250 0.00000
435 0.0090 0.00000
436 -0.0115 0.00000
437 0.0472 0.00000
438 0.0351 0.00000
439 -0.0304 0.00000
440 -0.0001 0.00000
441 0.0589 0.00000
442 0.0919 0.00000
443 0.0209 0.00000
444 0.0412 0.00000
445 -0.0933 0.00000
446 0.0199 0.00000
447 -0.0380 0.00000
448 0.0556 0.00000
449 -0.0144 0.00000
450 -0.0659 0.00000
451 -0.0123 0.00000
452 0.0548 0.00000
453 -0.0014 0.00000
454 0.0048 0.00000
455 0.0029 0.00000
456 -0.0418 0.00000
457 -0.0258 0.00000
458 0.0713 0.00000
459 0.0833 0.00000
460 0.0916 0.00000
461 0.0416 0.00000
462 -0.0089 0.00000
463 0.0139 0.00000
464 -0.0345 0.00000
465 -0.0050 0.00000
466 0.0185 0.00000
467 0.0504 0.00000
468 0.0252 0.00000
469 0.0543 0.00000
470 0.0274 0.00000
471 0.0634 0.00000
472 -0.0422 0.00000
473 -0.1447 0.00000
474 -0.0379 0.00000
475 -0.0773 0.00000
476 -0.0508 0.00000
477 0.0238 0.00000
478 -0.1105 0.00000
479 -0.0284 0.00000
480 -0.0140 0.00000
481 0.0383 0.00000
482 -0.0462 0.00000
483 -0.0949 0.00000
484 0.0343 0.00000
485 0.0968 0.00000
486 0.0298 0.00000
487 -0.0288 0.00000
488 0.0814 0.00000
489 0.0425 0.00000
490 0.0198 0.00000
491 0.0444 0.00000
492 -0.0664 0.00000
493 -0.1579 0.00000
494 0.0259 0.00000
495 0.0181 0.00000
496 -0.1387 0.00000
497 0.0443 0.00000
498 -0.0989 0.00000
499 0.0486 0.00000
500 0.0798 0.00000
501 -0.1241 0.00000
502 -0.0043 0.00000
503 0.1105 0.00000
504 0.0477 0.00000
505 0.0416 0.00000
506 -0.0535 0.00000
507 0.0340 0.00000
508 0.0545 0.00000
509 0.0510 0.00000
510 0.0190 0.00000
511 0.0490 0.00000
512 0.2081 0.00000
513 -0.0387 0.00000
514 -0.0408 0.00000
515 -0.0132 0.00000
516 0.0079 0.00000
517 0.0976 0.00000
518 0.2410 0.00000
519 0.1915 0.00000
520 0.0353 0.00000
521 0.0611 0.00000
522 0.0331 0.00000
523 0.0205 0.00000
524 0.0544 0.00000
525 -0.0153 0.00000
526 -0.0295 0.00000
527 -0.0144 0.00000
528 0.0012 0.00000
529 0.0244 0.00000
530 -0.0301 0.00000
531 0.0241 0.00000
532 -0.0075 0.00000
533 0.0462 0.00000
534 -0.0999 0.00000
535 -0.0170 0.00000
536 -0.0127 0.00000
537 -0.0184 0.00000
538 0.0052 0.00000
539 -0.0037 0.00000
540 0.0101 0.00000
541 0.0860 0.00000
542 0.0196 0.00000
543 0.0343 0.00000
544 0.0241 0.00000
545 -0.0112 0.00000
546 0.1474 0.00000
547 0.0435 0.00000
548 -0.1072 0.00000
549 0.0121 0.00000
550 0.0188 0.00000
551 0.0058 0.00000
552 -0.0943 0.00000
553 0.0183 0.00000
554 0.0597 0.00000
555 -0.0243 0.00000
556 -0.0150 0.00000
557 -0.0079 0.00000
558 -0.0035 0.00000
559 0.0337 0.00000
560 0.0091 0.00000
561 -0.0728 0.00000
562 -0.0351 0.00000
563 0.0150 0.00000
564 -0.0896 0.00000
565 -0.0435 0.00000
566 0.0039 0.00000
567 0.0135 0.00000
568 -0.0034 0.00000
569 -0.1256 0.00000
570 -0.1669 0.00000
571 0.0132 0.00000
572 0.0047 0.00000
573 -0.0533 0.00000
574 0.0248 0.00000
575 0.0167 0.00000
576 -0.1332 0.00000
577 -0.2011 0.00000
578 -0.0364 0.00000
579 -0.0734 0.00000
580 0.0631 0.00000
581 -0.1618 0.00000
582 0.0621 0.00000
583 0.0468 0.00000
584 -0.0220 0.00000
585 -0.0716 0.00000
586 0.0504 0.00000
587 0.0452 0.00000
588 0.1562 0.00000
589 0.0032 0.00000
590 -0.0224 0.00000
591 0.0102 0.00000
592 -0.0182 0.00000
593 -0.0286 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0037 0.00000
597 0.0227 0.00000
598 -0.0158 0.00000
599 0.0146 0.00000
600 0.0901 0.00000
601 0.1401 0.00000
602 -0.0048 0.00000
603 0.0005 0.00000
604 -0.0421 0.00000
605 0.0615 0.00000
606 0.0523 0.00000
607 -0.0021 0.00000
608 -0.0219 0.00000
609 0.0690 0.00000
610 0.0171 0.00000
611 0.0461 0.00000
612 0.0696 0.00000
613 -0.0377 0.00000
614 0.0179 0.00000
615 -0.0318 0.00000
616 -0.0061 0.00000
617 0.0360 0.00000
618 0.0906 0.00000
619 0.0406 0.00000
620 0.0153 0.00000
621 -0.0006 0.00000
622 -0.0001 0.00000
623 -0.1466 0.00000
624 0.0633 0.00000
625 0.0136 0.00000
626 0.0341 0.00000
627 0.0303 0.00000
628 0.0424 0.00000
629 0.0113 0.00000
630 0.0209 0.00000
631 0.0407 0.00000
632 -0.1065 0.00000
633 0.0154 0.00000
634 -0.0167 0.00000
635 0.0057 0.00000
636 -0.0241 0.00000
637 0.0668 0.00000
638 -0.0012 0.00000
639 0.0276 0.00000
640 0.0267 0.00000
641 0.0117 0.00000
642 -0.0647 0.00000
643 0.0393 0.00000
644 0.0289 0.00000
645 -0.0136 0.00000
646 -0.0067 0.00000
647 -0.0033 0.00000
648 0.0501 0.00000
649 -0.0114 0.00000
650 0.0109 0.00000
651 0.0476 0.00000
652 -0.0366 0.00000
653 -0.0374 0.00000
654 -0.0983 0.00000
655 0.0008 0.00000
656 0.0322 0.00000
657 -0.0548 0.00000
658 0.0211 0.00000
659 0.0174 0.00000
660 0.0361 0.00000
661 0.0253 0.00000
662 -0.0457 0.00000
663 -0.0319 0.00000
664 -0.0212 0.00000
665 0.0128 0.00000
666 -0.0019 0.00000
667 0.0476 0.00000
668 -0.0678 0.00000
669 -0.0479 0.00000
670 0.0335 0.00000
671 0.0044 0.00000
672 0.0241 0.00000
673 -0.0148 0.00000
674 0.0581 0.00000
675 -0.0202 0.00000
676 -0.0223 0.00000
677 0.0059 0.00000
678 -0.0206 0.00000
679 0.0124 0.00000
680 -0.0126 0.00000
681 0.0097 0.00000
682 -0.0726 0.00000
683 -0.0319 0.00000
684 0.0212 0.00000
685 0.0256 0.00000
686 -0.0356 0.00000
687 0.0366 0.00000
688 0.0109 0.00000
689 0.0235 0.00000
690 0.0778 0.00000
691 0.0327 0.00000
692 -0.0176 0.00000
693 0.0759 0.00000
694 -0.0457 0.00000
695 -0.0102 0.00000
696 -0.0257 0.00000
697 -0.0339 0.00000
698 -0.0189 0.00000
699 0.0410 0.00000
700 0.0512 0.00000
701 0.0315 0.00000
702 0.1145 0.00000
703 -0.0207 0.00000
704 0.0358 0.00000
705 0.0295 0.00000
706 0.0107 0.00000
707 -0.0899 0.00000
708 0.0071 0.00000
709 0.0999 0.00000
710 -0.0462 0.00000
711 0.0186 0.00000
712 -0.0266 0.00000
713 0.0045 0.00000
714 0.0964 0.00000
715 0.0686 0.00000
716 0.0072 0.00000
717 -0.0552 0.00000
718 -0.0441 0.00000
719 -0.0242 0.00000
720 0.0590 0.00000
721 0.0126 0.00000
722 -0.0389 0.00000
723 0.0278 0.00000
724 0.0545 0.00000
725 0.0001 0.00000
726 -0.0777 0.00000
727 -0.0470 0.00000
728 -0.0159 0.00000
729 0.0152 0.00000
730 -0.0511 0.00000
731 0.0169 0.00000
732 -0.0424 0.00000
733 -0.0577 0.00000
734 -0.0415 0.00000
735 0.0700 0.00000
736 0.0449 0.00000
737 -0.0484 0.00000
738 -0.0102 0.00000
739 -0.0184 0.00000
740 0.0105 0.00000
741 -0.1163 0.00000
742 -0.0267 0.00000
743 -0.0242 0.00000
744 -0.0235 0.00000
745 -0.0287 0.00000
746 0.0052 0.00000
747 0.0039 0.00000
748 -0.0328 0.00000
749 -0.0222 0.00000
750 0.0244 0.00000
751 -0.0334 0.00000
752 0.0115 0.00000
753 0.0106 0.00000
754 -0.0385 0.00000
755 0.0366 0.00000
756 -0.0719 0.00000
757 -0.0097 0.00000
758 -0.0018 0.00000
759 -0.0336 0.00000
760 -0.0379 0.00000
761 0.0031 0.00000
762 0.0320 0.00000
763 0.0183 0.00000
764 -0.0563 0.00000
765 -0.0076 0.00000
766 -0.0333 0.00000
767 -0.0781 0.00000
768 -0.0189 0.00000
769 -0.0078 0.00000
770 -0.0461 0.00000
771 -0.0738 0.00000
772 0.0031 0.00000
773 0.0020 0.00000
774 0.0177 0.00000
775 0.0245 0.00000
776 0.0657 0.00000
777 -0.0223 0.00000
778 -0.0393 0.00000
779 -0.0042 0.00000
780 -0.0106 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0415 0.00000
2 0.0920 0.00000
3 0.2825 0.00000
4 0.0228 0.00000
5 0.1417 0.00000
6 0.2832 0.00000
7 0.0218 0.00000
8 0.1147 0.00000
9 0.1993 0.00000
10 0.0625 0.00000
11 0.0035 0.00000
12 -0.0135 0.00000
13 -0.0821 0.00000
14 -0.0091 0.00000
15 -0.2342 0.00000
16 -0.2479 0.00000
17 0.1691 0.00000
18 0.2671 0.00000
19 -0.0361 0.00000
20 0.0051 0.00000
21 0.0126 0.00000
22 0.2490 0.00000
23 0.1516 0.00000
24 0.2692 0.00000
25 0.1398 0.00000
26 0.0645 0.00000
27 0.1009 0.00000
28 -0.0824 0.00000
29 0.1524 0.00000
30 -0.1024 0.00000
31 -0.7892 0.00000
32 -0.2609 0.00000
33 0.1009 0.00000
34 0.1262 0.00000
35 0.0732 0.00000
36 -0.5043 0.00000
37 -0.1129 0.00000
38 0.0385 0.00000
39 -0.3561 0.00000
40 0.2376 0.00000
41 0.0206 0.00000
42 0.0089 0.00000
43 0.1316 0.00000
44 -0.3084 0.00000
45 -0.0577 0.00000
46 0.3153 0.00000
47 0.2578 0.00000
48 -0.4849 0.00000
49 0.5761 0.00000
50 0.1088 0.00000
51 0.0565 0.00000
52 0.7814 0.00000
53 0.0723 0.00000
54 -0.1093 0.00000
55 -0.0066 0.00000
56 -0.6884 0.00000
57 0.0414 0.00000
58 -0.0717 0.00000
59 -0.3101 0.00000
60 0.8584 0.00000
61 -0.2060 0.00000
62 0.0212 0.00000
63 0.0528 0.00000
64 -0.7014 0.00000
65 -0.0325 0.00000
66 -0.2086 0.00000
67 0.0030 0.00000
68 0.6274 0.00000
69 -0.0150 0.00000
70 0.0967 0.00000
71 0.0182 0.00000
72 0.0505 0.00000
73 0.0547 0.00000
74 -0.0034 0.00000
75 -0.0819 0.00000
76 0.0170 0.00000
77 -0.0339 0.00000
78 -0.0221 0.00000
79 0.1953 0.00000
80 0.0525 0.00000
81 0.1056 0.00000
82 0.0309 0.00000
83 0.0580 0.00000
84 -0.0798 0.00000
85 0.0365 0.00000
86 -0.0354 0.00000
87 0.0058 0.00000
88 -0.0811 0.00000
89 0.1146 0.00000
90 -0.0119 0.00000
91 -0.0531 0.00000
92 -0.0575 0.00000
93 0.0272 0.00000
94 -0.1866 0.00000
95 0.2774 0.00000
96 0.1265 0.00000
97 -0.0283 0.00000
98 -0.0441 0.00000
99 0.0046 0.00000
100 -0.3435 0.00000
101 -0.1034 0.00000
102 0.0687 0.00000
103 -0.1062 0.00000
104 0.0877 0.00000
105 -0.0209 0.00000
106 0.1326 0.00000
107 -0.0461 0.00000
108 0.1081 0.00000
109 -0.0063 0.00000
110 0.2020 0.00000
111 -0.0950 0.00000
112 0.0382 0.00000
113 0.0892 0.00000
114 -0.0458 0.00000
115 -0.1342 0.00000
116 -0.1986 0.00000
117 -0.1035 0.00000
118 0.0774 0.00000
119 0.0315 0.00000
120 0.0730 0.00000
121 0.0571 0.00000
122 -0.0348 0.00000
123 0.0240 0.00000
124 -0.0782 0.00000
125 -0.0643 0.00000
126 -0.0862 0.00000
127 -0.1457 0.00000
128 -0.0939 0.00000
129 0.1088 0.00000
130 -0.0171 0.00000
131 0.0250 0.00000
132 -0.1685 0.00000
133 0.1171 0.00000
134 -0.0424 0.00000
135 0.1294 0.00000
136 -0.0394 0.00000
137 -0.5620 0.00000
138 -0.1052 0.00000
139 0.0189 0.00000
140 0.0890 0.00000
141 -0.0482 0.00000
142 -0.1292 0.00000
143 0.0883 0.00000
144 0.1438 0.00000
145 0.1227 0.00000
146 -0.0516 0.00000
147 -0.0394 0.00000
148 0.1327 0.00000
149 0.1638 0.00000
150 0.1157 0.00000
151 0.1099 0.00000
152 0.0026 0.00000
153 0.0152 0.00000
154 0.3017 0.00000
155 0.0350 0.00000
156 -0.0007 0.00000
157 0.1106 0.00000
158 0.0118 0.00000
159 -0.0081 0.00000
160 0.0104 0.00000
161 -0.0256 0.00000
162 0.0732 0.00000
163 0.0455 0.00000
164 0.0626 0.00000
165 -0.0234 0.00000
166 -0.2572 0.00000
167 -0.0338 0.00000
168 0.0052 0.00000
169 0.1592 0.00000
170 -0.0335 0.00000
171 -0.1519 0.00000
172 0.0190 0.00000
173 -0.0073 0.00000
174 0.0502 0.00000
175 -0.0193 0.00000
176 -0.1029 0.00000
177 0.0665 0.00000
178 -0.0954 0.00000
179 0.0060 0.00000
180 0.0567 0.00000
181 -0.0593 0.00000
182 -0.0188 0.00000
183 0.0709 0.00000
184 0.0547 0.00000
185 -0.0461 0.00000
186 0.0668 0.00000
187 -0.0265 0.00000
188 -0.1496 0.00000
189 -0.0271 0.00000
190 -0.0548 0.00000
191 0.0191 0.00000
192 0.3719 0.00000
193 -0.0219 0.00000
194 0.0201 0.00000
195 0.0833 0.00000
196 0.0928 0.00000
197 0.2570 0.00000
198 0.0237 0.00000
199 -0.0572 0.00000
200 0.1009 0.00000
201 0.1111 0.00000
202 0.5346 0.00000
203 0.0248 0.00000
204 -0.5431 0.00000
205 -0.0284 0.00000
206 -0.0066 0.00000
207 0.1125 0.00000
208 -0.0095 0.00000
209 0.0094 0.00000
210 -0.0338 0.00000
211 0.3041 0.00000
212 0.2141 0.00000
213 0.0090 0.00000
214 0.5029 0.00000
215 -0.4682 0.00000
216 0.0540 0.00000
217 0.0643 0.00000
218 -0.0052 0.00000
219 -0.0045 0.00000
220 -0.2389 0.00000
221 0.0499 0.00000
222 0.0036 0.00000
223 -0.1062 0.00000
224 -0.2765 0.00000
225 0.1775 0.00000
226 -0.0001 0.00000
227 -0.0382 0.00000
228 0.0987 0.00000
229 0.0950 0.00000
230 0.0120 0.00000
231 -0.0540 0.00000
232 -0.1051 0.00000
233 -0.0634 0.00000
234 0.0476 0.00000
235 -0.1630 0.00000
236 0.0448 0.00000
237 0.0139 0.00000
238 -0.1684 0.00000
239 -0.0216 0.00000
240 -0.0314 0.00000
241 0.0096 0.00000
242 -0.0257 0.00000
243 0.0109 0.00000
244 0.0025 0.00000
245 -0.0152 0.00000
246 0.0766 0.00000
247 0.1143 0.00000
248 0.1344 0.00000
249 0.1148 0.00000
250 0.1848 0.00000
251 0.0143 0.00000
252 -0.3340 0.00000
253 -0.0109 0.00000
254 0.0362 0.00000
255 -0.0002 0.00000
256 0.0783 0.00000
257 0.0633 0.00000
258 0.0561 0.00000
259 0.0816 0.00000
260 0.0044 0.00000
261 0.0681 0.00000
262 -0.0422 0.00000
263 -0.0076 0.00000
264 0.0652 0.00000
265 0.0296 0.00000
266 0.0343 0.00000
267 0.1164 0.00000
268 0.0521 0.00000
269 -0.0393 0.00000
270 0.0309 0.00000
271 0.0054 0.00000
272 -0.0307 0.00000
273 0.1703 0.00000
274 -0.0656 0.00000
275 0.0060 0.00000
276 -0.0263 0.00000
277 0.0101 0.00000
278 -0.0396 0.00000
279 -0.0071 0.00000
280 0.0302 0.00000
281 0.0495 0.00000
282 -0.0312 0.00000
283 -0.0239 0.00000
284 0.0331 0.00000
285 0.0019 0.00000
286 -0.0158 0.00000
287 -0.1499 0.00000
288 -0.0059 0.00000
289 -0.0021 0.00000
290 -0.1175 0.00000
291 -0.0386 0.00000
292 0.0034 0.00000
293 0.1001 0.00000
294 0.0443 0.00000
295 -0.0554 0.00000
296 -0.0030 0.00000
297 0.0477 0.00000
298 -0.1902 0.00000
299 -0.0756 0.00000
300 0.0467 0.00000
301 -0.0351 0.00000
302 -0.0141 0.00000
303 0.0639 0.00000
304 -0.1151 0.00000
305 0.0784 0.00000
306 -0.0319 0.00000
307 -0.0688 0.00000
308 -0.0459 0.00000
309 -0.0127 0.00000
310 -0.0283 0.00000
311 -0.0085 0.00000
312 -0.1875 0.00000
313 0.0286 0.00000
314 0.1406 0.00000
315 -0.0508 0.00000
316 0.0185 0.00000
317 -0.0193 0.00000
318 0.1144 0.00000
319 0.0292 0.00000
320 -0.0109 0.00000
321 -0.0054 0.00000
322 0.0553 0.00000
323 -0.0400 0.00000
324 -0.0673 0.00000
325 -0.0443 0.00000
326 0.0507 0.00000
327 -0.0480 0.00000
328 -0.2140 0.00000
329 0.0385 0.00000
330 -0.0118 0.00000
331 -0.0438 0.00000
332 -0.0324 0.00000
333 -0.0493 0.00000
334 -0.0437 0.00000
335 -0.0412 0.00000
336 -0.0276 0.00000
337 -0.0719 0.00000
338 -0.0145 0.00000
339 -0.0259 0.00000
340 -0.2864 0.00000
341 -0.0667 0.00000
342 0.0127 0.00000
343 0.0322 0.00000
344 0.0424 0.00000
345 0.0380 0.00000
346 0.0491 0.00000
347 -0.1565 0.00000
348 0.0741 0.00000
349 -0.1159 0.00000
350 0.0808 0.00000
351 0.1824 0.00000
352 -0.1192 0.00000
353 -0.0750 0.00000
354 0.2688 0.00000
355 0.0520 0.00000
356 0.0799 0.00000
357 0.1692 0.00000
358 0.0468 0.00000
359 0.0712 0.00000
360 -0.0146 0.00000
361 -0.0135 0.00000
362 0.0794 0.00000
363 -0.0084 0.00000
364 0.0838 0.00000
365 -0.0371 0.00000
366 -0.1985 0.00000
367 0.0744 0.00000
368 -0.0278 0.00000
369 0.0012 0.00000
370 -0.0048 0.00000
371 -0.0184 0.00000
372 -0.0314 0.00000
373 -0.0409 0.00000
374 -0.0548 0.00000
375 0.0537 0.00000
376 0.0252 0.00000
377 -0.1954 0.00000
378 -0.0042 0.00000
379 0.0124 0.00000
380 0.0634 0.00000
381 -0.0129 0.00000
382 0.0592 0.00000
383 0.0714 0.00000
384 -0.0848 0.00000
385 -0.0585 0.00000
386 0.0380 0.00000
387 -0.0535 0.00000
388 0.1146 0.00000
389 -0.0361 0.00000
390 0.0017 0.00000
391 0.0185 0.00000
392 0.0639 0.00000
393 0.0733 0.00000
394 0.1285 0.00000
395 0.2381 0.00000
396 0.0989 0.00000
397 0.0355 0.00000
398 0.1382 0.00000
399 0.0529 0.00000
400 0.0185 0.00000
401 0.1699 0.00000
402 0.0053 0.00000
403 -0.2820 0.00000
404 0.0306 0.00000
405 -0.0231 0.00000
406 -0.1184 0.00000
407 0.0637 0.00000
408 0.0890 0.00000
409 0.0037 0.00000
410 0.0028 0.00000
411 0.0435 0.00000
412 -0.1693 0.00000
413 -0.1551 0.00000
414 0.0914 0.00000
415 -0.1185 0.00000
416 -0.0961 0.00000
417 -0.0406 0.00000
418 0.5103 0.00000
419 0.0818 0.00000
420 -0.0093 0.00000
421 -0.0371 0.00000
422 -0.0676 0.00000
423 -0.1199 0.00000
424 -0.0094 0.00000
425 -0.0422 0.00000
426 -0.0658 0.00000
427 0.0173 0.00000
428 0.0244 0.00000
429 0.0072 0.00000
430 0.0069 0.00000
431 -0.0117 0.00000
432 0.0597 0.00000
433 0.0317 0.00000
434 0.0197 0.00000
435 0.0793 0.00000
436 -0.0376 0.00000
437 0.0211 0.00000
438 -0.0013 0.00000
439 0.0244 0.00000
440 0.0065 0.00000
441 0.0229 0.00000
442 -0.0007 0.00000
443 0.0032 0.00000
444 -0.1006 0.00000
445 0.0203 0.00000
446 0.0597 0.00000
447 0.0250 0.00000
448 0.0213 0.00000
449 0.0554 0.00000
450 -0.0551 0.00000
451 0.0837 0.00000
452 0.0189 0.00000
453 -0.0887 0.00000
454 0.0507 0.00000
455 0.0086 0.00000
456 0.0035 0.00000
457 -0.0036 0.00000
458 0.0455 0.00000
459 0.0276 0.00000
460 0.0377 0.00000
461 -0.0369 0.00000
462 0.0481 0.00000
463 -0.0020 0.00000
464 0.0236 0.00000
465 -0.0373 0.00000
466 0.0374 0.00000
467 0.1172 0.00000
468 0.0410 0.00000
469 0.0093 0.00000
470 -0.0293 0.00000
471 0.0935 0.00000
472 -0.0604 0.00000
473 -0.0544 0.00000
474 0.0463 0.00000
475 -0.2055 0.00000
476 0.0622 0.00000
477 0.0304 0.00000
478 -0.0787 0.00000
479 0.0105 0.00000
480 -0.0320 0.00000
481 0.0100 0.00000
482 -0.1804 0.00000
483 -0.0355 0.00000
484 0.0479 0.00000
485 0.0023 0.00000
486 0.0288 0.00000
487 -0.0146 0.00000
488 -0.0550 0.00000
489 0.0333 0.00000
490 0.0426 0.00000
491 -0.0727 0.00000
492 -0.1071 0.00000
493 -0.1251 0.00000
494 0.0677 0.00000
495 0.0439 0.00000
496 0.0889 0.00000
497 -0.0591 0.00000
498 0.0260 0.00000
499 0.0228 0.00000
500 -0.0927 0.00000
501 0.0106 0.00000
502 0.0351 0.00000
503 0.0316 0.00000
504 0.0543 0.00000
505 0.0235 0.00000
506 0.0484 0.00000
507 0.0143 0.00000
508 0.0791 0.00000
509 0.0061 0.00000
510 -0.0021 0.00000
511 0.1047 0.00000
512 0.0359 0.00000
513 0.0765 0.00000
514 0.1095 0.00000
515 -0.0186 0.00000
516 0.1262 0.00000
517 0.0564 0.00000
518 -0.0055 0.00000
519 0.0604 0.00000
520 -0.0058 0.00000
521 0.1533 0.00000
522 0.0015 0.00000
523 -0.0162 0.00000
524 -0.0120 0.00000
525 0.0268 0.00000
526 -0.0239 0.00000
527 0.0039 0.00000
528 0.1379 0.00000
529 0.0481 0.00000
530 0.0451 0.00000
531 0.0130 0.00000
532 -0.0672 0.00000
533 0.0402 0.00000
534 0.0063 0.00000
535 -0.0372 0.00000
536 -0.0106 0.00000
537 0.0537 0.00000
538 -0.2166 0.00000
539 0.0386 0.00000
540 -0.0339 0.00000
541 0.0851 0.00000
542 0.0410 0.00000
543 0.0555 0.00000
544 0.0983 0.00000
545 0.1225 0.00000
546 -0.0066 0.00000
547 0.0567 0.00000
548 -0.0009 0.00000
549 -0.0774 0.00000
550 -0.0038 0.00000
551 -0.0047 0.00000
552 -0.0280 0.00000
553 0.0002 0.00000
554 0.0024 0.00000
555 -0.0254 0.00000
556 0.0231 0.00000
557 -0.0169 0.00000
558 -0.0517 0.00000
559 -0.0026 0.00000
560 0.0066 0.00000
561 -0.0126 0.00000
562 -0.0360 0.00000
563 -0.0702 0.00000
564 0.0363 0.00000
565 -0.1194 0.00000
566 0.0006 0.00000
567 -0.0255 0.00000
568 -0.1617 0.00000
569 0.0435 0.00000
570 -0.0523 0.00000
571 0.0052 0.00000
572 0.0002 0.00000
573 0.0132 0.00000
574 -0.0084 0.00000
575 -0.1830 0.00000
576 -0.0677 0.00000
577 0.0505 0.00000
578 -0.2148 0.00000
579 0.0155 0.00000
580 -0.0556 0.00000
581 -0.0847 0.00000
582 0.0506 0.00000
583 0.0004 0.00000
584 -0.0414 0.00000
585 0.0639 0.00000
586 -0.0704 0.00000
587 0.0478 0.00000
588 0.1538 0.00000
589 0.0021 0.00000
590 -0.0214 0.00000
591 0.0098 0.00000
592 -0.0176 0.00000
593 -0.0291 0.00000
594 0.0065 0.00000
595 0.0046 0.00000
596 0.0037 0.00000
597 0.0227 0.00000
598 -0.0173 0.00000
599 0.0170 0.00000
600 0.0188 0.00000
601 0.2268 0.00000
602 -0.0484 0.00000
603 0.0378 0.00000
604 -0.0409 0.00000
605 0.0450 0.00000
606 0.0838 0.00000
607 -0.0516 0.00000
608 0.0532 0.00000
609 0.0182 0.00000
610 0.0113 0.00000
611 -0.0117 0.00000
612 0.0729 0.00000
613 -0.0489 0.00000
614 0.0191 0.00000
615 0.0487 0.00000
616 0.0539 0.00000
617 -0.0332 0.00000
618 0.0043 0.00000
619 -0.0353 0.00000
620 0.0547 0.00000
621 0.0121 0.00000
622 0.0843 0.00000
623 -0.0415 0.00000
624 0.0580 0.00000
625 -0.0608 0.00000
626 0.0269 0.00000
627 0.0983 0.00000
628 0.0019 0.00000
629 0.0148 0.00000
630 0.0150 0.00000
631 0.0238 0.00000
632 0.0346 0.00000
633 -0.0589 0.00000
634 0.0256 0.00000
635 -0.0105 0.00000
636 0.0591 0.00000
637 0.0089 0.00000
638 -0.0597 0.00000
639 0.0155 0.00000
640 -0.0832 0.00000
641 0.0223 0.00000
642 0.0250 0.00000
643 -0.0470 0.00000
644 -0.0478 0.00000
645 -0.0130 0.00000
646 0.0320 0.00000
647 0.0127 0.00000
648 0.0243 0.00000
649 0.0194 0.00000
650 0.0600 0.00000
651 -0.0360 0.00000
652 -0.0266 0.00000
653 -0.0234 0.00000
654 0.0049 0.00000
655 -0.0537 0.00000
656 -0.0195 0.00000
657 0.0364 0.00000
658 0.0090 0.00000
659 -0.0067 0.00000
660 0.0020 0.00000
661 0.0132 0.00000
662 0.0141 0.00000
663 0.0113 0.00000
664 0.0353 0.00000
665 0.0337 0.00000
666 0.0106 0.00000
667 -0.0687 0.00000
668 -0.0722 0.00000
669 0.0285 0.00000
670 0.0008 0.00000
671 0.0139 0.00000
672 0.0445 0.00000
673 0.0131 0.00000
674 -0.0513 0.00000
675 -0.0031 0.00000
676 -0.0393 0.00000
677 0.0131 0.00000
678 -0.0360 0.00000
679 -0.0229 0.00000
680 -0.0735 0.00000
681 0.0299 0.00000
682 -0.0445 0.00000
683 0.0389 0.00000
684 -0.0028 0.00000
685 0.0236 0.00000
686 0.0319 0.00000
687 0.0341 0.00000
688 -0.0169 0.00000
689 0.0695 0.00000
690 0.0229 0.00000
691 -0.0048 0.00000
692 -0.0265 0.00000
693 -0.0110 0.00000
694 0.0322 0.00000
695 -0.0158 0.00000
696 -0.0228 0.00000
697 0.0406 0.00000
698 0.0318 0.00000
699 -0.0117 0.00000
700 0.0577 0.00000
701 0.0736 0.00000
702 0.0642 0.00000
703 -0.0062 0.00000
704 -0.0115 0.00000
705 -0.0721 0.00000
706 0.0115 0.00000
707 0.0243 0.00000
708 0.0166 0.00000
709 -0.0104 0.00000
710 -0.0113 0.00000
711 0.0016 0.00000
712 0.0219 0.00000
713 0.0603 0.00000
714 -0.0307 0.00000
715 -0.0118 0.00000
716 0.0876 0.00000
717 0.0350 0.00000
718 0.0372 0.00000
719 -0.0134 0.00000
720 0.0496 0.00000
721 0.0479 0.00000
722 -0.0169 0.00000
723 -0.0138 0.00000
724 -0.0004 0.00000
725 -0.0016 0.00000
726 -0.0157 0.00000
727 -0.0143 0.00000
728 -0.0611 0.00000
729 -0.0105 0.00000
730 -0.0698 0.00000
731 -0.0722 0.00000
732 -0.0048 0.00000
733 -0.0528 0.00000
734 -0.0326 0.00000
735 -0.0431 0.00000
736 -0.0052 0.00000
737 0.0485 0.00000
738 -0.0597 0.00000
739 0.0486 0.00000
740 0.0320 0.00000
741 -0.0461 0.00000
742 0.0179 0.00000
743 -0.0080 0.00000
744 -0.0419 0.00000
745 0.0199 0.00000
746 -0.0261 0.00000
747 0.0042 0.00000
748 -0.0649 0.00000
749 -0.0421 0.00000
750 -0.0682 0.00000
751 -0.0033 0.00000
752 0.0093 0.00000
753 0.0174 0.00000
754 -0.0842 0.00000
755 0.0147 0.00000
756 0.0201 0.00000
757 -0.0438 0.00000
758 0.0260 0.00000
759 -0.0778 0.00000
760 -0.0026 0.00000
761 0.0188 0.00000
762 -0.0035 0.00000
763 0.0664 0.00000
764 0.0008 0.00000
765 -0.0855 0.00000
766 0.0091 0.00000
767 -0.0143 0.00000
768 -0.0077 0.00000
769 -0.0207 0.00000
770 -0.0224 0.00000
771 0.0249 0.00000
772 -0.0664 0.00000
773 0.0253 0.00000
774 0.0166 0.00000
775 -0.0387 0.00000
776 -0.0697 0.00000
777 -0.0471 0.00000
778 0.0013 0.00000
779 -0.0310 0.00000
780 0.0379 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 7 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
7.56754 -4.22096 18.64464
-4.22064 -2.74099 -0.18099
18.64370 -0.18140 -3.66779
POSITION FORCE-CONSTANT FOR ION 7 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.345314 -0.108780 0.067960
4.30302 2.15352 7.05746 -0.137353 -0.057630 -0.142905
1.30883 4.06731 2.03161 -0.109138 -0.000111 0.038071
3.96992 4.32885 4.13194 -0.048883 -0.007172 -0.016955
1.29275 3.05683 8.10201 -0.318383 0.064838 0.262588
3.79636 1.47547 14.70421 -0.201374 -0.788093 0.709523
1.24643 4.63551 10.86193 -33.748152 -0.601331 -1.638142
3.89005 4.20092 12.88287 3.851231 -1.097831 3.658453
1.04482 6.69020 17.44020 -0.471281 -0.049751 -0.100508
3.77370 7.04599 6.61024 -0.249663 0.117385 -0.072859
0.71312 9.21049 2.53845 -0.062063 -0.004658 0.014448
3.86880 9.70388 4.59023 -0.039470 0.037767 -0.016679
1.19399 7.29663 8.75952 0.090173 -0.217994 0.166227
4.14925 6.52609 15.71477 0.262823 0.516998 0.539380
1.16791 10.19708 10.50563 -0.247589 -0.047789 -0.000458
3.90202 11.30466 11.97145 -0.104155 0.054881 -0.024843
1.41963 13.48240 16.88000 -0.120456 0.008072 -0.001619
3.89470 12.50036 6.39588 -0.047229 0.016855 0.013350
1.24092 15.65995 2.03746 -0.069332 -0.007793 0.008011
3.45676 13.88732 3.60018 -0.027272 0.009935 -0.005443
1.37686 12.90671 8.69683 -0.068112 -0.007322 0.012033
4.20896 12.98001 14.89140 -0.068180 -0.009696 0.055901
1.28271 15.54574 11.35729 -0.215475 0.005250 -0.031448
4.02704 16.14416 13.12883 -0.065791 -0.256554 -0.139013
8.51844 2.13686 0.32759 0.094016 -0.005876 0.016248
10.42520 1.68659 6.72748 0.181906 -0.037360 0.040556
6.89192 4.41938 2.41726 0.039906 -0.050385 0.075062
10.22536 4.35381 4.16682 0.102803 -0.009186 -0.023059
7.19238 2.15284 8.75827 0.128752 -0.175444 -0.229678
10.67141 2.29852 15.08728 0.209507 0.001309 -0.010158
7.24075 4.59797 11.01224 0.838679 -0.032048 -0.440070
10.30176 4.56419 12.61212 0.545483 -0.021984 0.025969
6.40057 6.85176 0.36515 0.186760 0.098804 0.195247
9.75325 6.62606 6.90745 0.150753 -0.034195 -0.007106
6.24007 9.67823 1.67645 0.046084 0.078798 0.055976
6.65558 7.06042 8.79421 0.109971 0.225095 -0.214005
11.80692 6.94639 14.05727 0.234835 -0.037386 -0.016899
6.39955 9.97659 10.34026 0.046517 0.137583 0.013646
11.03265 10.16848 13.84914 0.100181 -0.049560 -0.015391
6.77345 12.10505 16.99256 0.075899 0.025689 0.007823
10.32223 13.09442 6.99099 0.096677 0.010056 0.012958
10.59365 15.96480 4.77521 0.055683 0.005674 -0.007691
6.94250 12.79247 7.88185 0.045218 0.013030 -0.049470
10.18654 12.31147 16.08279 0.107616 -0.011739 -0.007660
7.13888 17.01345 11.20310 0.120182 -0.033825 0.008247
10.37682 0.23169 12.64835 0.196814 0.000967 -0.013214
13.24904 1.54346 17.14370 0.231965 0.026077 -0.121346
15.89410 1.64185 6.44545 -0.050558 0.045667 0.108812
12.98857 4.28042 2.14546 0.088739 0.008489 -0.060558
15.96785 4.32998 4.48967 -0.030514 0.015684 0.087286
13.27097 1.52537 8.57426 0.157683 0.255824 0.245637
16.03461 1.53130 15.21659 0.101023 0.789613 -0.622567
13.37701 3.97590 10.80799 0.713586 0.018366 0.456369
16.23421 4.17555 13.11475 3.706052 0.592235 -3.398684
13.12188 6.75851 16.83328 0.143875 0.012030 -0.092968
16.15350 6.82329 6.57280 -0.131951 -0.109646 0.182809
13.80451 11.28726 3.11364 0.019619 -0.004380 -0.012526
16.01530 9.31599 4.57229 -0.035735 -0.035778 0.052881
16.24774 6.95131 14.97400 -0.294219 -0.872878 -0.781610
13.37358 11.10317 11.33384 0.069415 -0.068911 -0.009489
16.26481 10.28310 12.82929 -0.011692 -0.201081 0.106763
13.02958 12.87265 0.34345 0.050463 0.013847 -0.011171
15.63587 13.81058 6.90598 -0.021401 0.002589 0.003876
13.11026 15.86276 1.91698 0.023120 0.023051 -0.046300
16.04847 15.98249 4.25314 -0.032520 0.031251 0.026037
12.92950 13.50280 9.01948 0.044740 0.003886 0.060900
16.03470 13.24150 15.21399 -0.034865 0.007373 -0.092980
13.00717 16.52927 10.76204 0.135448 0.070978 -0.029063
15.92967 15.85673 13.13419 -0.102346 0.225313 0.084850
1.86054 17.36365 1.29865 0.052597 0.023803 -0.010412
4.17830 2.73136 5.21241 0.033167 -0.004341 -0.006379
3.26426 5.75851 5.24301 0.035397 -0.016821 0.005522
17.49829 1.67854 7.58538 0.010685 0.019095 0.041711
1.16532 17.05709 10.27678 0.038473 -0.004450 0.020376
3.43296 5.28736 14.40974 -0.426876 -0.305632 -0.881375
5.78979 4.58179 12.35127 -0.414986 0.084851 -0.148975
2.66622 1.96025 16.18884 0.136607 0.111179 -0.175208
17.32027 0.89679 16.51550 0.067443 -0.028801 0.055766
0.46199 8.18893 0.93413 0.076618 0.017583 0.010944
5.39231 10.11127 3.40660 0.010736 -0.005331 -0.000498
2.32066 9.80687 3.44943 0.028658 0.000780 0.010649
4.91964 7.92130 14.71679 -0.014481 -0.120197 -0.072348
2.68710 7.23238 16.69438 0.061657 -0.097220 -0.128808
0.01020 10.88204 2.02154 0.013537 0.003032 0.000910
4.21835 0.28129 6.98759 0.022163 0.000283 -0.002644
17.23783 13.81793 8.03064 0.027414 -0.003697 0.005465
4.79582 14.66186 14.12172 0.016261 0.030575 -0.001970
1.82404 14.00413 10.26937 0.028129 0.001563 0.012102
5.26768 16.92854 11.79676 0.005251 0.000256 0.010445
10.96027 2.96124 5.34122 -0.026351 0.008500 0.002471
6.97457 3.04582 1.08259 -0.008867 -0.000344 0.000954
10.16898 6.05361 5.08582 -0.025867 0.005488 -0.002493
8.34039 4.05066 3.68939 -0.026297 0.003629 -0.012234
8.74489 2.42632 7.55292 -0.049444 0.018997 0.028628
7.18775 0.35634 9.46384 -0.022164 0.007247 0.012066
11.47395 4.04892 11.19556 -0.163540 0.052583 -0.036400
9.15080 2.77757 16.12393 -0.022254 0.007767 0.015520
7.98734 0.36277 0.04247 -0.000196 -0.001080 0.008102
8.09306 7.37877 7.53063 -0.036749 -0.006373 0.034418
5.20414 6.37683 7.73407 0.045218 -0.007528 0.033752
12.25313 11.32613 12.87115 -0.022910 -0.004655 0.010352
7.88582 9.71337 11.41294 -0.005829 0.001382 -0.014533
7.90588 7.26091 16.85699 -0.020559 -0.015319 -0.010624
11.07224 14.64349 6.08452 -0.010197 0.005253 -0.000992
9.97410 0.03402 5.82220 -0.020071 0.010058 0.005646
11.77786 16.49122 3.26041 -0.011897 -0.004869 0.018871
6.65717 11.67689 9.40508 -0.007048 -0.007973 0.012148
7.76961 15.24886 11.07941 -0.013146 -0.004074 -0.001119
8.52712 0.41686 12.29829 -0.032194 0.009469 -0.001988
13.11181 17.12784 0.26607 -0.017204 -0.012021 0.025520
13.20693 2.50512 1.34897 -0.025297 -0.002876 0.011339
17.29335 3.71694 3.19979 0.033563 -0.001547 -0.021620
14.20035 4.69758 3.69278 -0.003895 -0.004184 -0.007959
14.59997 3.56179 12.23787 -0.514378 -0.058299 0.143091
13.57708 5.48481 0.72232 -0.014973 -0.008785 0.023902
12.29749 8.18631 0.22048 -0.020642 -0.004879 0.008317
16.86596 10.59176 5.62457 0.010908 0.005134 -0.004796
16.66958 8.43890 13.63905 0.000821 0.132855 -0.023602
16.67265 11.67449 14.15979 0.005164 0.042309 0.009457
14.70756 7.45696 15.98014 0.004830 0.061599 0.097531
16.06899 0.34084 4.92526 0.013781 -0.012150 -0.006078
14.63768 15.41566 3.05858 0.003477 -0.003685 0.003478
12.21694 15.07373 9.87203 -0.012550 -0.003454 -0.004162
15.65466 0.14914 13.86557 0.023636 -0.154470 -0.012453
14.35754 15.71932 11.91759 -0.005289 -0.018813 -0.020120
14.30081 12.83268 16.21967 -0.002670 -0.004925 0.013190
8.77223 10.39607 2.47225 0.027442 0.015705 0.006593
12.91187 8.54216 10.48161 0.045756 -0.060388 0.006805
8.49467 15.82840 2.99445 0.012675 -0.007141 0.011199
1.32045 2.68577 1.08043 0.071791 -0.024147 -0.044748
5.44581 4.42337 3.31859 0.015972 0.002930 -0.011633
2.71895 4.15019 2.95898 0.073704 0.003868 0.025893
2.89361 2.63574 7.84048 0.474906 -0.055449 -0.142040
3.72928 2.61904 13.46082 -0.329044 1.274498 -1.190577
1.12195 3.42722 9.72736 3.129689 0.794233 0.689600
2.69176 4.49808 11.70258 11.827328 -0.862914 4.965106
1.13271 5.33613 0.95032 0.064655 0.014512 -0.016845
4.03043 8.42197 5.67301 0.041550 -0.034951 0.023887
3.75157 11.03623 5.64253 0.020723 -0.012085 -0.000275
2.52170 7.25791 7.75547 0.292249 0.025083 -0.256353
17.39856 7.13193 7.68295 0.154842 0.037331 0.125401
1.18188 6.06412 9.94036 3.219407 -0.277413 0.125490
1.18202 8.73358 9.65531 -0.001444 0.085512 0.013073
3.91098 11.84592 13.59643 0.022755 -0.002492 -0.004577
5.12928 10.31683 11.41789 0.025911 -0.032136 -0.004059
2.50977 10.51875 11.46580 0.108455 0.018368 0.041332
17.45087 6.59897 16.12377 0.330959 0.046695 0.336859
3.55980 13.67281 5.25157 0.018238 -0.002180 0.005119
1.28803 14.62748 0.64715 0.025280 0.001240 0.003073
4.98905 14.24610 3.11864 0.019148 0.003951 -0.001888
2.40264 15.06164 3.08512 0.033923 -0.009172 0.008186
2.72172 12.72875 7.62075 0.055216 -0.006572 -0.020920
1.06333 11.39589 9.35618 0.043669 0.024943 -0.007466
3.61212 17.43666 14.11103 0.030508 0.312610 0.042364
2.61877 15.69429 12.36150 0.146209 0.039965 0.081425
2.80206 13.36593 15.83914 0.078317 -0.008182 -0.043726
17.47316 13.58140 16.05649 0.085641 0.006915 0.043328
9.77890 2.08644 1.42003 -0.049156 0.002215 -0.020293
11.39452 4.37239 2.86549 -0.084038 0.000839 0.039593
5.75314 2.47184 7.89843 0.013992 0.038921 0.072528
10.58974 3.42804 13.84178 -0.075351 0.001894 0.011913
7.29963 3.26088 10.01774 -0.123239 0.198159 0.232645
10.61644 6.04073 13.30213 -0.116964 -0.048886 -0.026838
8.72282 4.57356 11.93667 -0.547640 0.019637 -0.123529
6.87268 5.85394 1.60201 -0.034005 0.035634 -0.057899
10.69996 7.99849 7.09252 -0.043598 -0.013132 -0.000627
5.73707 8.23825 1.01832 -0.005104 -0.073711 -0.044890
10.63831 11.82289 5.95914 -0.018684 0.002072 0.001036
12.27791 10.92294 3.59234 -0.014153 0.000792 0.002733
7.82470 9.40720 2.06031 -0.028221 -0.013631 -0.011998
7.06519 5.95381 10.03323 -0.086124 -0.181920 0.224889
11.49637 8.56646 14.11248 -0.057792 0.070792 0.003398
6.22218 8.54831 9.46647 -0.019707 -0.090729 -0.008543
10.64255 10.88430 15.28736 -0.032283 0.017801 0.024632
5.27533 6.08183 16.89617 -0.194823 -0.085993 -0.245470
6.19392 10.87447 0.49133 -0.006757 -0.015297 0.000923
6.63594 13.50144 0.40946 -0.009028 0.000363 -0.003638
9.20318 15.33527 4.12194 -0.027688 -0.000141 -0.011924
8.65369 12.87516 7.41323 -0.071856 -0.008427 0.019446
5.50203 12.61795 6.94111 0.027389 -0.001180 0.014395
10.10713 13.64215 15.27789 -0.028668 0.002119 0.001798
10.67911 0.87544 14.08625 -0.049780 -0.009802 -0.013859
11.60356 17.20368 11.75834 -0.099179 0.019205 0.042209
8.39118 11.91622 16.60701 -0.060078 -0.005251 0.006202
5.50451 12.34914 15.80657 -0.004902 0.003646 -0.018576
15.73327 3.04046 5.55542 0.016908 0.007768 -0.036235
16.46394 5.60663 5.46979 0.023673 -0.012655 -0.045564
14.52808 1.45286 7.47168 0.031881 -0.023950 -0.059351
11.79275 1.56088 7.78873 -0.146619 -0.009464 -0.088806
13.32704 0.21681 9.64565 -0.028816 -0.069177 0.019662
16.41790 2.90736 14.26355 -0.402289 -1.007163 1.076498
13.45171 2.82808 9.57211 -0.120715 -0.173633 -0.231830
16.10069 5.57752 13.99343 -0.530939 1.080461 1.173034
0.00005 4.40711 11.99025 8.114200 0.731266 -4.617295
14.62884 1.73967 16.17160 -0.216257 -0.084300 0.217202
11.98368 2.03831 16.06725 -0.110268 0.013617 -0.037755
15.63239 8.11986 5.68103 0.020423 0.048692 -0.039385
17.11138 8.55854 3.60414 0.044552 0.007808 -0.025772
14.79559 9.98222 3.60061 0.005950 0.008690 -0.003550
14.83832 6.40254 7.47085 0.036018 0.045395 -0.074091
10.26118 5.42988 7.96507 -0.043747 0.017821 -0.009744
13.84142 5.42996 10.14226 -0.128426 0.085752 -0.091135
12.90067 9.94534 10.26834 -0.011442 0.049405 0.006389
17.40760 10.25314 11.57387 0.110871 0.040176 -0.081992
14.84553 10.65634 12.01294 -0.038212 0.036609 -0.022813
12.09160 6.31793 15.56215 -0.061889 0.002907 0.003060
13.66330 11.76838 1.50243 -0.001563 -0.002555 0.005345
15.90808 14.97969 5.66759 0.013486 -0.006425 -0.000598
12.90234 14.38066 1.10662 -0.007359 -0.014438 0.002332
17.39979 15.79595 3.12260 0.056681 -0.008829 -0.036945
14.24465 13.87010 7.98683 0.010850 -0.000770 -0.013214
11.50975 12.98027 8.22780 -0.048273 -0.008166 -0.030983
13.37751 12.44417 10.26044 -0.010910 0.019966 -0.018484
15.76289 14.59733 14.23402 0.017051 -0.072603 0.040606
17.35248 15.55367 12.27553 0.134615 -0.039452 -0.065731
11.51892 12.39014 17.28946 -0.045204 -0.006874 -0.015772
2.14782 0.44560 2.19550 0.009314 -0.002939 0.004136
3.29477 2.11300 4.94555 0.004538 0.004339 0.007873
2.45654 5.15830 5.71352 0.000274 0.002302 0.002345
17.13665 1.28635 8.55333 -0.008561 0.030163 0.018771
2.05496 17.16622 9.63831 0.004983 -0.013059 -0.018650
2.76007 4.61458 14.97268 -0.026991 0.012410 -0.049923
5.82104 5.64963 12.65472 -0.008228 -0.001700 0.011648
1.99867 2.73895 15.76239 -0.052308 -0.014032 0.015147
16.62702 0.41219 17.23014 0.035822 -0.016914 0.022949
0.53299 8.97932 0.15968 -0.007363 0.003545 -0.002554
6.28070 9.99466 4.05905 0.007720 0.001625 -0.003651
2.80484 10.34140 2.60493 0.006061 0.003424 0.002197
5.85876 7.59725 14.24081 0.031536 0.024723 0.001693
2.33378 8.07412 16.06384 -0.002955 -0.018179 -0.005336
0.72196 11.42800 1.39191 0.003213 0.002859 -0.001694
4.17641 17.36384 8.00554 -0.000112 -0.008833 -0.002611
0.17664 14.81238 7.80592 0.002817 0.003661 0.000814
5.28314 15.15948 14.98492 0.012636 -0.009360 0.005225
1.99589 13.21868 11.02572 0.000243 -0.002739 0.000017
4.90269 16.46159 10.85427 -0.006587 0.004102 0.009784
11.44760 2.27402 4.62061 -0.000013 -0.000999 0.003324
6.42001 2.18281 1.50214 0.003437 0.003155 0.003608
11.20298 6.44871 5.00937 0.000146 -0.004079 0.004399
8.23943 2.94593 3.71752 0.003973 -0.001051 -0.000870
9.07830 3.43667 7.86385 0.016525 0.004263 -0.003236
8.13841 17.45818 9.05432 0.003025 0.010632 0.006221
11.09062 4.59939 10.31069 -0.018600 -0.010148 0.005077
8.29143 2.75175 15.42638 0.006557 -0.005243 0.000864
8.82941 17.22992 17.22214 0.003878 0.004681 0.000288
7.50840 7.62286 6.62087 -0.001722 0.001226 0.000035
4.60511 5.74329 8.41778 0.007055 -0.012678 -0.054986
12.92668 11.75537 13.63632 0.003472 -0.003080 -0.000440
8.02117 10.55523 12.10517 0.007029 -0.003662 -0.000700
8.67556 7.71636 17.49570 0.000358 -0.001459 0.001004
11.47875 15.24589 6.91703 0.004025 -0.001285 0.000643
9.35972 16.97903 6.56192 0.002409 -0.003399 0.000752
11.03713 17.07922 2.67792 0.006602 0.001289 -0.002290
7.42775 12.08916 10.09180 0.005650 -0.004073 -0.000283
7.92017 14.83580 12.09082 0.007771 0.000626 0.000620
8.50905 1.48718 11.99359 0.019471 -0.013406 0.005043
13.83892 16.58967 17.12637 0.004969 0.008629 -0.000190
14.18064 2.16404 1.76300 0.001997 0.000933 -0.005626
0.22637 2.85420 3.74771 0.003003 -0.002575 0.003643
13.55731 4.46328 4.56374 0.013100 0.000149 0.008183
13.93368 3.48067 13.12140 -0.145426 -0.087280 -0.015035
14.29477 4.78199 0.25086 -0.002136 0.002383 -0.013134
12.05112 9.01860 17.04503 0.009883 -0.003041 -0.001514
16.27694 10.80430 6.52497 0.004418 -0.003273 -0.000323
16.72250 7.84092 12.70809 -0.019513 -0.062299 0.041426
0.08131 12.14367 13.72814 0.003562 0.011171 0.004268
15.18747 8.06134 16.77823 -0.033598 0.034652 0.019796
15.33129 0.80027 4.23469 0.005042 -0.001066 -0.000541
15.22283 14.74953 2.39790 0.001091 -0.001224 -0.003345
11.52991 14.60593 10.60396 0.005359 -0.005745 0.001086
14.54913 0.08259 13.94141 0.005034 -0.006214 -0.003121
13.64918 15.17179 12.57877 0.007828 -0.005724 0.002049
14.26990 11.73639 16.04700 0.006139 -0.001941 -0.000277
2.83011 17.00291 0.89614 0.015288 -0.009638 0.012841
5.01762 2.19884 4.72481 0.005294 -0.000634 -0.005183
2.72197 6.40768 4.52960 0.008558 0.004391 0.010460
0.61592 0.85326 7.17988 0.020789 0.004800 0.002855
1.05804 0.47662 10.87149 -0.048904 0.004719 -0.007155
2.72869 6.02833 13.97220 -0.138231 0.098310 0.154523
6.27365 4.07474 13.21275 -0.166278 -0.046212 -0.023771
3.39789 2.54642 16.78232 0.023909 -0.001083 0.014412
0.26647 0.03376 15.97352 0.001144 -0.021505 0.009088
16.86896 8.04953 1.06168 0.018950 -0.016054 -0.015095
5.26691 11.21282 3.35522 0.003307 -0.001824 -0.001460
1.79651 10.63408 3.97172 0.004631 -0.003490 0.001586
4.24367 8.25477 13.91418 -0.003272 0.037715 -0.002498
3.20146 7.72932 0.04071 0.054662 -0.035302 -0.029760
17.29565 11.52683 2.88643 0.003852 -0.000361 0.000781
5.09458 17.34903 6.48077 0.005925 -0.004123 0.000120
16.80060 13.95067 9.04167 0.004336 -0.000734 0.001761
5.65314 14.35380 13.49055 0.007555 0.005751 -0.001625
2.85103 14.37043 10.06567 0.010814 -0.002363 -0.004097
4.88020 0.46410 11.72901 0.007078 -0.017373 -0.020514
11.82432 3.49932 5.78478 -0.001012 -0.003021 0.002633
6.33916 3.40343 0.25044 0.004990 -0.003753 0.005795
9.59394 6.71839 4.41200 0.007059 0.003417 -0.004660
7.91802 4.38505 4.66043 0.001578 -0.001438 -0.003014
8.23543 2.62518 6.58554 -0.002942 0.001299 0.004155
6.41431 17.32071 8.88054 0.003303 0.001786 -0.006901
11.14557 3.00954 10.98712 0.002069 -0.015096 -0.002361
9.36027 3.86210 16.23230 0.012794 -0.003813 0.001781
7.53966 17.41529 0.94072 0.004419 -0.001945 0.000647
8.48774 8.36338 7.84778 0.004336 -0.001369 0.003941
5.72768 5.64505 7.08615 0.002107 -0.009544 0.016495
11.53162 12.14308 12.66419 0.006122 0.005801 0.000044
7.77778 8.79967 12.01567 0.020608 0.005254 0.006206
7.67148 7.97660 16.05599 0.018504 0.009399 0.001501
11.96712 14.11387 5.69832 0.001398 0.000148 0.000223
9.20674 0.45352 5.13285 -0.000794 -0.003128 -0.004519
12.42086 17.27854 3.71166 0.002515 -0.001709 -0.000802
5.72984 12.20671 9.71226 0.002722 -0.002275 0.001123
7.06651 14.59485 10.54611 0.004380 -0.003929 -0.002168
8.18003 0.43236 13.34917 0.007747 -0.005608 -0.000727
12.13433 16.79403 17.35819 0.003461 -0.008607 0.001038
12.47800 1.85419 1.86970 0.008418 -0.001405 0.009618
16.61133 3.22326 2.47663 0.006415 0.001690 -0.003118
14.18380 5.80672 3.64923 0.005270 0.000380 -0.000741
14.87276 2.50739 12.03337 0.039631 0.047428 -0.013724
14.23243 6.19147 1.27631 -0.000642 0.001227 -0.001704
12.93327 8.58137 1.02753 0.003708 -0.002687 -0.003795
0.31818 10.15222 5.96061 0.003647 -0.002072 0.003182
0.23893 8.66414 13.84372 0.014580 0.029788 -0.001925
17.08408 11.06555 14.99139 -0.003227 -0.010886 -0.008002
14.24371 8.22849 15.33189 0.004895 0.008521 0.003008
17.03243 0.72423 4.52831 0.004413 0.000598 -0.003148
14.06257 14.70897 3.69175 0.007380 -0.002226 0.001630
11.55248 15.52990 9.11606 0.003467 0.002866 -0.002346
15.79992 0.71375 12.92180 0.017007 0.042620 0.036532
14.66771 14.92743 11.20480 -0.008205 -0.006864 -0.005819
13.59723 13.22883 15.45681 0.010147 0.003316 -0.000797
0.28893 16.96969 9.61776 0.008757 0.014636 0.012231
5.14861 8.79609 15.34428 -0.012298 -0.028534 0.014484
16.57887 10.76457 1.44815 0.006064 -0.002186 0.000170
3.32280 17.43531 6.45000 0.005081 0.006205 0.005874
7.22345 0.33037 16.74849 0.007638 -0.008089 0.000625
8.80270 9.61454 10.81195 0.006346 -0.000091 0.006953
8.32656 6.35754 16.39008 0.018626 0.001667 0.003126
8.73549 15.20213 10.55252 0.001832 0.004422 0.003895
11.35757 7.84337 0.68199 0.001743 0.005811 0.007358
17.07689 11.54135 5.11708 0.004650 0.003844 0.000555
1.05898 4.30352 7.32607 0.039772 -0.009018 -0.060174
4.03509 12.56543 11.20951 0.014787 -0.004080 0.002170
2.98241 12.61908 2.99845 0.008659 -0.000344 0.000755
13.02951 6.77394 13.23542 -0.032853 0.005727 0.009973
9.81405 10.04557 13.02717 -0.007771 0.003385 0.003103
14.38062 12.44509 3.83928 0.002639 0.000773 0.000821
15.29130 12.60070 6.14349 0.007779 -0.000916 -0.000047
1.51212 12.17674 0.04632 0.015627 0.001042 0.000143
5.20365 1.54821 15.21091 -0.016777 0.095519 -0.123756
6.79297 14.20253 8.32851 -0.000513 -0.002105 0.008137
11.61515 7.96197 6.76612 0.014119 -0.001731 0.009745
10.25461 10.96603 6.21744 0.013528 -0.000204 0.000770
11.90891 11.26603 4.43245 0.013246 -0.001491 -0.003444
8.53540 10.78259 3.48001 0.002888 -0.001490 -0.001649
9.76681 9.93079 2.50215 0.002874 0.001742 -0.001290
8.80784 11.23977 1.76494 0.004648 -0.002288 0.000333
14.97448 6.01037 8.35394 0.044713 -0.051043 0.093596
10.93413 4.83383 7.59381 0.026146 0.002276 0.018082
13.14865 5.92816 9.67432 0.013348 -0.022772 0.009186
12.65000 8.06887 9.52187 0.013311 -0.002284 0.011224
13.90414 8.18239 10.79823 -0.008585 -0.014595 -0.005380
12.16474 8.24325 11.23577 0.007146 -0.001728 0.001674
5.27827 14.04824 2.20496 0.002374 0.000885 0.005037
10.20084 2.92381 1.69633 0.024424 0.005275 0.003255
7.46833 14.00510 0.41146 0.009367 -0.003248 0.001890
7.48179 15.39929 3.01468 0.002111 -0.000419 0.000322
8.41010 16.93048 3.00754 0.005053 0.002405 0.000136
8.99741 15.53505 2.05618 0.005647 0.001076 -0.000212
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 7 DIRECTION 1 : 3.582 0.058 0.178
rigid augmentation : 0.174 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -0.592 0.058 0.178
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 20/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 23( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258971; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258933; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01017079
-V(xc)+E(xc) XCENC = 0.02114422
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03605971
---------------------------------------------------
free energy TOTEN = -0.02508627 eV
energy without entropy = -0.02508627
----------------------------------------- Iteration 23( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258971; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258933; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10335E+01 rms(broyden)= 0.10321E+01
rms(prec ) = 0.11138E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01017079
-V(xc)+E(xc) XCENC = 0.02114422
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01439019
---------------------------------------------------
free energy TOTEN = -0.00341676 eV
energy without entropy = -0.00341676
----------------------------------------- Iteration 23( 3) ---------------------------------------
BZINTS: Fermi energy: 0.259007; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258898; 1190.000000 electrons
Band energy:-0.912015E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.61951E+00 rms(broyden)= 0.61936E+00
rms(prec ) = 0.67673E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3706
2.3706
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00925687
-V(xc)+E(xc) XCENC = 0.01764539
PAW double counting = 0.01187686 -0.01187988
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01417899
---------------------------------------------------
free energy TOTEN = -0.00579349 eV
energy without entropy = -0.00579349
----------------------------------------- Iteration 23( 4) ---------------------------------------
BZINTS: Fermi energy: 0.259058; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258846; 1190.000000 electrons
Band energy:-0.912013E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10578E+00 rms(broyden)= 0.10554E+00
rms(prec ) = 0.14028E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8287
1.2421 2.4153
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00828086
-V(xc)+E(xc) XCENC = 0.01480216
PAW double counting = 0.07027632 -0.07029320
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01422295
---------------------------------------------------
free energy TOTEN = -0.00771852 eV
energy without entropy = -0.00771852
----------------------------------------- Iteration 23( 5) ---------------------------------------
BZINTS: Fermi energy: 0.259063; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258842; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.63061E-01 rms(broyden)= 0.63009E-01
rms(prec ) = 0.85441E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.6895
2.5682 1.6534 0.8469
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00796376
-V(xc)+E(xc) XCENC = 0.01424141
PAW double counting = 0.07365169 -0.07366858
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01442937
---------------------------------------------------
free energy TOTEN = -0.00816862 eV
energy without entropy = -0.00816862
----------------------------------------- Iteration 23( 6) ---------------------------------------
BZINTS: Fermi energy: 0.259065; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258840; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.28531E-01 rms(broyden)= 0.28507E-01
rms(prec ) = 0.43849E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7095
2.7864 2.1659 1.0617 0.8242
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00782250
-V(xc)+E(xc) XCENC = 0.01397354
PAW double counting = 0.07549413 -0.07551194
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01451289
---------------------------------------------------
free energy TOTEN = -0.00837966 eV
energy without entropy = -0.00837966
----------------------------------------- Iteration 23( 7) ---------------------------------------
BZINTS: Fermi energy: 0.259066; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258838; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.16070E-01 rms(broyden)= 0.16058E-01
rms(prec ) = 0.24579E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9172
3.3945 2.3999 1.9228 1.0091 0.8597
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00775117
-V(xc)+E(xc) XCENC = 0.01390298
PAW double counting = 0.07509400 -0.07511188
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455680
---------------------------------------------------
free energy TOTEN = -0.00842287 eV
energy without entropy = -0.00842287
----------------------------------------- Iteration 23( 8) ---------------------------------------
BZINTS: Fermi energy: 0.259068; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.57258E-02 rms(broyden)= 0.57076E-02
rms(prec ) = 0.82424E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8967
3.7786 2.4630 1.7881 1.4697 0.8985 0.9821
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773856
-V(xc)+E(xc) XCENC = 0.01397612
PAW double counting = 0.07448110 -0.07449882
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455768
---------------------------------------------------
free energy TOTEN = -0.00833785 eV
energy without entropy = -0.00833785
----------------------------------------- Iteration 23( 9) ---------------------------------------
BZINTS: Fermi energy: 0.259067; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.32450E-02 rms(broyden)= 0.32395E-02
rms(prec ) = 0.44501E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9925
4.3597 2.6655 2.3442 1.7505 1.0473 0.8903 0.8903
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773783
-V(xc)+E(xc) XCENC = 0.01398265
PAW double counting = 0.07446780 -0.07448559
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455687
---------------------------------------------------
free energy TOTEN = -0.00832983 eV
energy without entropy = -0.00832983
----------------------------------------- Iteration 23( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258638; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11375E-02 rms(broyden)= 0.11349E-02
rms(prec ) = 0.16058E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9877
4.5746 3.0102 2.3793 1.8063 1.3007 0.9043 0.9043 1.0219
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773935
-V(xc)+E(xc) XCENC = 0.01399316
PAW double counting = 0.07459085 -0.07460864
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455348
---------------------------------------------------
free energy TOTEN = -0.00831746 eV
energy without entropy = -0.00831746
----------------------------------------- Iteration 23( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258639; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.56564E-03 rms(broyden)= 0.56443E-03
rms(prec ) = 0.78297E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9672
4.7994 3.0920 2.4536 1.9234 1.6516 1.0468 0.9431 0.9431 0.8516
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773820
-V(xc)+E(xc) XCENC = 0.01399229
PAW double counting = 0.07461659 -0.07463439
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455330
---------------------------------------------------
free energy TOTEN = -0.00831702 eV
energy without entropy = -0.00831702
----------------------------------------- Iteration 23( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258638; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.23874E-03 rms(broyden)= 0.23846E-03
rms(prec ) = 0.37008E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9888
4.9405 3.2789 2.6893 2.2853 1.7578 1.2083 1.0283 0.9251 0.9251 0.8498
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773809
-V(xc)+E(xc) XCENC = 0.01399080
PAW double counting = 0.07462862 -0.07464642
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455237
---------------------------------------------------
free energy TOTEN = -0.00831747 eV
energy without entropy = -0.00831747
----------------------------------------- Iteration 23( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258638; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11372E-03 rms(broyden)= 0.11358E-03
rms(prec ) = 0.16955E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0108
4.9326 3.7298 2.6859 2.5535 1.8986 1.5630 1.0553 1.0264 0.9195 0.9195
0.8345
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773817
-V(xc)+E(xc) XCENC = 0.01398993
PAW double counting = 0.07462572 -0.07464351
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455162
---------------------------------------------------
free energy TOTEN = -0.00831765 eV
energy without entropy = -0.00831765
----------------------------------------- Iteration 23( 14) ---------------------------------------
BZINTS: Fermi energy: 0.258638; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258837; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.58889E-04 rms(broyden)= 0.58803E-04
rms(prec ) = 0.82287E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9598
5.0512 3.8445 2.8790 2.4379 1.8913 1.7012 1.0775 1.0775 0.9255 0.9255
0.9382 0.7682
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00773834
-V(xc)+E(xc) XCENC = 0.01399000
PAW double counting = 0.07461652 -0.07463433
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01455134
---------------------------------------------------
free energy TOTEN = -0.00831749 eV
energy without entropy = -0.00831749
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0676 0.00000
4 -0.0910 0.00000
5 -0.6506 0.00000
6 -0.0862 0.00000
7 -0.0360 0.00000
8 -0.1698 0.00000
9 0.4503 0.00000
10 0.1343 0.00000
11 0.0235 0.00000
12 -0.0395 0.00000
13 -0.0334 0.00000
14 0.0382 0.00000
15 0.0579 0.00000
16 -0.0520 0.00000
17 0.0029 0.00000
18 -0.5919 0.00000
19 -0.0224 0.00000
20 0.0484 0.00000
21 -0.0627 0.00000
22 0.3109 0.00000
23 -0.1079 0.00000
24 0.0600 0.00000
25 0.6094 0.00000
26 0.1109 0.00000
27 0.1321 0.00000
28 0.0207 0.00000
29 -0.0978 0.00000
30 0.0005 0.00000
31 0.1679 0.00000
32 0.1539 0.00000
33 -0.0640 0.00000
34 0.0528 0.00000
35 -0.0772 0.00000
36 0.2844 0.00000
37 -0.0294 0.00000
38 -0.3205 0.00000
39 0.2111 0.00000
40 0.1253 0.00000
41 -0.2508 0.00000
42 0.0336 0.00000
43 0.0789 0.00000
44 0.0786 0.00000
45 0.4504 0.00000
46 0.0309 0.00000
47 0.0736 0.00000
48 -0.0013 0.00000
49 -0.1389 0.00000
50 0.4660 0.00000
51 0.0286 0.00000
52 -0.3969 0.00000
53 -0.0558 0.00000
54 0.0312 0.00000
55 -0.0305 0.00000
56 0.2908 0.00000
57 0.0206 0.00000
58 -0.4930 0.00000
59 -0.8628 0.00000
60 -0.2129 0.00000
61 0.1500 0.00000
62 0.1167 0.00000
63 0.0544 0.00000
64 -0.7904 0.00000
65 -0.6350 0.00000
66 -0.0594 0.00000
67 0.1343 0.00000
68 -0.6818 0.00000
69 -0.1347 0.00000
70 -0.1977 0.00000
71 -0.1580 0.00000
72 -0.1199 0.00000
73 -0.2858 0.00000
74 -0.1590 0.00000
75 -0.0443 0.00000
76 -0.0028 0.00000
77 -0.0485 0.00000
78 -0.2555 0.00000
79 -0.0230 0.00000
80 -0.0312 0.00000
81 0.0207 0.00000
82 0.0743 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0879 0.00000
90 0.0628 0.00000
91 0.0562 0.00000
92 0.0986 0.00000
93 0.0257 0.00000
94 -0.0452 0.00000
95 0.1131 0.00000
96 0.0981 0.00000
97 0.0173 0.00000
98 0.0926 0.00000
99 0.1214 0.00000
100 -0.0263 0.00000
101 0.1150 0.00000
102 0.2360 0.00000
103 0.0001 0.00000
104 0.1459 0.00000
105 0.0820 0.00000
106 0.0038 0.00000
107 0.1078 0.00000
108 0.0832 0.00000
109 0.1001 0.00000
110 0.1138 0.00000
111 0.0637 0.00000
112 0.2346 0.00000
113 -0.0231 0.00000
114 0.0488 0.00000
115 -0.0021 0.00000
116 0.0283 0.00000
117 -0.0060 0.00000
118 0.0332 0.00000
119 -0.1069 0.00000
120 -0.0258 0.00000
121 0.2177 0.00000
122 0.0335 0.00000
123 0.0566 0.00000
124 0.1534 0.00000
125 0.1058 0.00000
126 0.0471 0.00000
127 -0.0413 0.00000
128 -0.0859 0.00000
129 0.1075 0.00000
130 0.0244 0.00000
131 0.1507 0.00000
132 -0.0093 0.00000
133 -0.0397 0.00000
134 0.0659 0.00000
135 -0.1102 0.00000
136 0.0325 0.00000
137 -0.0137 0.00000
138 -0.0148 0.00000
139 0.0563 0.00000
140 -0.0293 0.00000
141 0.0360 0.00000
142 -0.0743 0.00000
143 0.0087 0.00000
144 -0.0538 0.00000
145 -0.0926 0.00000
146 -0.0671 0.00000
147 -0.0710 0.00000
148 -0.0477 0.00000
149 -0.9703 0.00000
150 0.1198 0.00000
151 0.0240 0.00000
152 -0.1671 0.00000
153 0.1180 0.00000
154 -0.0591 0.00000
155 -0.0419 0.00000
156 0.0804 0.00000
157 -0.0314 0.00000
158 -0.1618 0.00000
159 0.1957 0.00000
160 -0.1057 0.00000
161 0.0044 0.00000
162 0.2203 0.00000
163 -0.1166 0.00000
164 0.3064 0.00000
165 0.1734 0.00000
166 -0.0926 0.00000
167 -0.0438 0.00000
168 -0.0339 0.00000
169 -0.0349 0.00000
170 0.0301 0.00000
171 0.0142 0.00000
172 -0.0071 0.00000
173 0.0499 0.00000
174 -0.0318 0.00000
175 -0.0129 0.00000
176 -0.0221 0.00000
177 0.0605 0.00000
178 0.0376 0.00000
179 -0.0264 0.00000
180 -0.0054 0.00000
181 -0.0955 0.00000
182 0.0316 0.00000
183 -0.0248 0.00000
184 0.0440 0.00000
185 0.0391 0.00000
186 0.1699 0.00000
187 0.1115 0.00000
188 0.0105 0.00000
189 -0.0730 0.00000
190 0.0103 0.00000
191 -0.0988 0.00000
192 -0.0234 0.00000
193 -0.0332 0.00000
194 -0.3473 0.00000
195 0.0594 0.00000
196 -0.0611 0.00000
197 0.0303 0.00000
198 0.0775 0.00000
199 -0.1319 0.00000
200 -0.0337 0.00000
201 -0.0171 0.00000
202 -0.0638 0.00000
203 -0.1084 0.00000
204 0.1456 0.00000
205 0.3063 0.00000
206 -0.7056 0.00000
207 -0.3256 0.00000
208 -0.4322 0.00000
209 -0.4892 0.00000
210 0.1118 0.00000
211 0.0625 0.00000
212 -0.5115 0.00000
213 0.1096 0.00000
214 -0.2121 0.00000
215 -0.4060 0.00000
216 0.0666 0.00000
217 0.0808 0.00000
218 -0.1147 0.00000
219 -0.0794 0.00000
220 0.6133 0.00000
221 0.6334 0.00000
222 -0.1757 0.00000
223 -0.1267 0.00000
224 0.2322 0.00000
225 -0.2749 0.00000
226 -0.1900 0.00000
227 -0.0366 0.00000
228 -0.1016 0.00000
229 -0.2295 0.00000
230 -0.0554 0.00000
231 0.0916 0.00000
232 -0.0430 0.00000
233 -0.0412 0.00000
234 0.0219 0.00000
235 0.0745 0.00000
236 0.0453 0.00000
237 0.0236 0.00000
238 0.0774 0.00000
239 -0.0154 0.00000
240 0.0529 0.00000
241 0.0758 0.00000
242 0.1076 0.00000
243 0.1227 0.00000
244 0.0018 0.00000
245 -0.0390 0.00000
246 0.1106 0.00000
247 0.1345 0.00000
248 0.1679 0.00000
249 0.1110 0.00000
250 0.1143 0.00000
251 0.0536 0.00000
252 0.0410 0.00000
253 0.0328 0.00000
254 0.0125 0.00000
255 0.0485 0.00000
256 0.0424 0.00000
257 -0.0271 0.00000
258 0.2499 0.00000
259 -0.0323 0.00000
260 0.0538 0.00000
261 0.0483 0.00000
262 0.0156 0.00000
263 0.0278 0.00000
264 0.0343 0.00000
265 -0.0153 0.00000
266 0.0346 0.00000
267 0.0015 0.00000
268 0.0393 0.00000
269 0.0592 0.00000
270 0.0112 0.00000
271 0.0257 0.00000
272 0.0400 0.00000
273 0.0782 0.00000
274 0.0041 0.00000
275 0.1549 0.00000
276 0.0170 0.00000
277 0.0342 0.00000
278 0.0394 0.00000
279 0.1149 0.00000
280 -0.0266 0.00000
281 -0.0135 0.00000
282 0.0299 0.00000
283 0.0608 0.00000
284 0.0607 0.00000
285 0.1086 0.00000
286 0.0520 0.00000
287 -0.0007 0.00000
288 0.0078 0.00000
289 0.0563 0.00000
290 0.0110 0.00000
291 0.0311 0.00000
292 0.2115 0.00000
293 0.0184 0.00000
294 0.0497 0.00000
295 0.1335 0.00000
296 0.0479 0.00000
297 0.0535 0.00000
298 -0.0046 0.00000
299 0.0660 0.00000
300 0.1281 0.00000
301 0.0821 0.00000
302 0.0293 0.00000
303 0.0485 0.00000
304 0.0527 0.00000
305 0.1302 0.00000
306 0.1181 0.00000
307 0.0943 0.00000
308 0.0504 0.00000
309 0.0378 0.00000
310 0.0382 0.00000
311 0.1854 0.00000
312 0.0897 0.00000
313 0.0162 0.00000
314 0.0713 0.00000
315 0.0226 0.00000
316 0.1749 0.00000
317 0.1365 0.00000
318 0.0253 0.00000
319 0.0636 0.00000
320 -0.0194 0.00000
321 0.0874 0.00000
322 0.2654 0.00000
323 -0.0157 0.00000
324 0.0786 0.00000
325 -0.0028 0.00000
326 -0.0173 0.00000
327 0.0307 0.00000
328 0.0492 0.00000
329 0.0186 0.00000
330 0.0024 0.00000
331 -0.0445 0.00000
332 0.0342 0.00000
333 0.0642 0.00000
334 0.0995 0.00000
335 -0.0269 0.00000
336 0.0288 0.00000
337 -0.0078 0.00000
338 0.0159 0.00000
339 0.0805 0.00000
340 -0.0329 0.00000
341 0.0589 0.00000
342 -0.1594 0.00000
343 0.0333 0.00000
344 0.0297 0.00000
345 -0.0017 0.00000
346 0.1090 0.00000
347 -0.0168 0.00000
348 0.0202 0.00000
349 -0.0277 0.00000
350 -0.0049 0.00000
351 0.0397 0.00000
352 -0.1063 0.00000
353 -0.0919 0.00000
354 0.0114 0.00000
355 0.0397 0.00000
356 -0.1426 0.00000
357 0.0228 0.00000
358 -0.0106 0.00000
359 0.0855 0.00000
360 0.0085 0.00000
361 0.0158 0.00000
362 -0.0596 0.00000
363 0.1053 0.00000
364 0.0655 0.00000
365 -0.2904 0.00000
366 -0.0131 0.00000
367 -0.0925 0.00000
368 -0.0166 0.00000
369 0.0686 0.00000
370 -0.1207 0.00000
371 -0.0468 0.00000
372 0.0147 0.00000
373 -0.1370 0.00000
374 0.0007 0.00000
375 -0.2155 0.00000
376 0.0963 0.00000
377 -0.0488 0.00000
378 0.0424 0.00000
379 -0.0652 0.00000
380 -0.0255 0.00000
381 -0.2017 0.00000
382 -0.0048 0.00000
383 0.0703 0.00000
384 -0.0184 0.00000
385 0.1842 0.00000
386 0.1356 0.00000
387 0.0357 0.00000
388 0.0101 0.00000
389 0.0451 0.00000
390 -0.0781 0.00000
391 -0.0397 0.00000
392 -0.1014 0.00000
393 -0.0551 0.00000
394 0.0637 0.00000
395 -0.1692 0.00000
396 -0.1049 0.00000
397 -0.0385 0.00000
398 -0.0299 0.00000
399 -0.1552 0.00000
400 -0.1019 0.00000
401 -0.0351 0.00000
402 -0.0984 0.00000
403 0.0012 0.00000
404 -0.0906 0.00000
405 -0.0210 0.00000
406 -0.0462 0.00000
407 0.1489 0.00000
408 -0.1978 0.00000
409 -0.2230 0.00000
410 -0.0567 0.00000
411 -0.1299 0.00000
412 -0.1631 0.00000
413 -0.2942 0.00000
414 0.0545 0.00000
415 -0.0715 0.00000
416 0.0193 0.00000
417 -0.0752 0.00000
418 -0.0895 0.00000
419 0.0461 0.00000
420 -0.0837 0.00000
421 -0.0189 0.00000
422 -0.0240 0.00000
423 -0.2627 0.00000
424 -0.0903 0.00000
425 -0.0407 0.00000
426 -0.0178 0.00000
427 -0.0230 0.00000
428 -0.0288 0.00000
429 -0.0559 0.00000
430 0.0889 0.00000
431 -0.0070 0.00000
432 -0.0818 0.00000
433 0.1336 0.00000
434 -0.0074 0.00000
435 0.0097 0.00000
436 -0.0442 0.00000
437 0.0498 0.00000
438 0.0316 0.00000
439 -0.0444 0.00000
440 -0.1295 0.00000
441 0.0419 0.00000
442 -0.1391 0.00000
443 -0.0001 0.00000
444 0.0092 0.00000
445 -0.0096 0.00000
446 0.0562 0.00000
447 -0.0793 0.00000
448 0.0764 0.00000
449 0.0301 0.00000
450 -0.0678 0.00000
451 -0.0212 0.00000
452 0.0011 0.00000
453 -0.0031 0.00000
454 0.0415 0.00000
455 0.0079 0.00000
456 -0.0092 0.00000
457 -0.1352 0.00000
458 0.0083 0.00000
459 -0.0274 0.00000
460 -0.0474 0.00000
461 0.0290 0.00000
462 -0.0485 0.00000
463 -0.0105 0.00000
464 0.0389 0.00000
465 -0.0252 0.00000
466 0.0330 0.00000
467 0.0141 0.00000
468 -0.0232 0.00000
469 0.0464 0.00000
470 0.0867 0.00000
471 -0.0052 0.00000
472 0.0613 0.00000
473 0.0122 0.00000
474 0.0040 0.00000
475 -0.0035 0.00000
476 0.0070 0.00000
477 -0.0057 0.00000
478 0.0469 0.00000
479 0.0829 0.00000
480 -0.0039 0.00000
481 0.0647 0.00000
482 -0.0275 0.00000
483 -0.0226 0.00000
484 0.0090 0.00000
485 0.1277 0.00000
486 -0.0250 0.00000
487 0.0904 0.00000
488 -0.0403 0.00000
489 -0.1077 0.00000
490 0.0423 0.00000
491 0.0271 0.00000
492 0.0651 0.00000
493 -0.0384 0.00000
494 -0.0109 0.00000
495 -0.0135 0.00000
496 -0.0071 0.00000
497 0.0181 0.00000
498 0.1034 0.00000
499 -0.0145 0.00000
500 -0.1117 0.00000
501 -0.0652 0.00000
502 -0.0189 0.00000
503 -0.0395 0.00000
504 0.0565 0.00000
505 0.0837 0.00000
506 0.0285 0.00000
507 0.0089 0.00000
508 0.0358 0.00000
509 0.0536 0.00000
510 0.0623 0.00000
511 0.0078 0.00000
512 -0.0230 0.00000
513 0.0072 0.00000
514 -0.0498 0.00000
515 0.0132 0.00000
516 0.1040 0.00000
517 0.0580 0.00000
518 0.0145 0.00000
519 -0.0686 0.00000
520 -0.1118 0.00000
521 -0.0005 0.00000
522 -0.1996 0.00000
523 0.2187 0.00000
524 0.0086 0.00000
525 -0.1141 0.00000
526 -0.2294 0.00000
527 0.0388 0.00000
528 -0.2254 0.00000
529 -0.0327 0.00000
530 -0.1590 0.00000
531 -0.0819 0.00000
532 -0.0085 0.00000
533 -0.0103 0.00000
534 -0.0663 0.00000
535 -0.0350 0.00000
536 -0.0847 0.00000
537 -0.1661 0.00000
538 -0.0706 0.00000
539 -0.0768 0.00000
540 -0.0276 0.00000
541 -0.1151 0.00000
542 -0.0124 0.00000
543 -0.1025 0.00000
544 -0.0697 0.00000
545 -0.0166 0.00000
546 -0.0478 0.00000
547 0.0238 0.00000
548 -0.0078 0.00000
549 -0.0195 0.00000
550 0.0169 0.00000
551 -0.0509 0.00000
552 -0.0154 0.00000
553 0.0456 0.00000
554 0.0011 0.00000
555 -0.0343 0.00000
556 0.0034 0.00000
557 -0.0554 0.00000
558 -0.0569 0.00000
559 -0.0393 0.00000
560 0.0720 0.00000
561 0.0011 0.00000
562 0.0074 0.00000
563 0.0513 0.00000
564 0.0536 0.00000
565 0.0652 0.00000
566 -0.0193 0.00000
567 0.0036 0.00000
568 -0.0332 0.00000
569 0.0137 0.00000
570 0.0299 0.00000
571 0.0146 0.00000
572 0.0143 0.00000
573 0.0115 0.00000
574 0.0282 0.00000
575 0.0291 0.00000
576 0.0477 0.00000
577 0.0579 0.00000
578 0.0224 0.00000
579 -0.0485 0.00000
580 0.0157 0.00000
581 0.0792 0.00000
582 -0.0201 0.00000
583 -0.0618 0.00000
584 -0.0622 0.00000
585 -0.0789 0.00000
586 -0.1091 0.00000
587 0.0224 0.00000
588 -0.0829 0.00000
589 0.0470 0.00000
590 -0.0592 0.00000
591 -0.0491 0.00000
592 -0.0486 0.00000
593 -0.0366 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0815 0.00000
597 0.0867 0.00000
598 -0.0256 0.00000
599 -0.0697 0.00000
600 -0.1191 0.00000
601 -0.0205 0.00000
602 -0.3063 0.00000
603 0.0447 0.00000
604 -0.0232 0.00000
605 -0.0141 0.00000
606 0.0276 0.00000
607 0.0539 0.00000
608 -0.0119 0.00000
609 0.0406 0.00000
610 -0.0399 0.00000
611 0.0411 0.00000
612 -0.0223 0.00000
613 0.0179 0.00000
614 0.0090 0.00000
615 0.0212 0.00000
616 0.0814 0.00000
617 0.0147 0.00000
618 0.0058 0.00000
619 0.0687 0.00000
620 0.1382 0.00000
621 0.0025 0.00000
622 0.0470 0.00000
623 0.0187 0.00000
624 -0.0216 0.00000
625 0.0092 0.00000
626 0.0865 0.00000
627 0.0681 0.00000
628 0.0791 0.00000
629 0.0453 0.00000
630 0.0396 0.00000
631 0.1501 0.00000
632 0.0244 0.00000
633 0.0629 0.00000
634 0.0263 0.00000
635 0.0449 0.00000
636 0.0306 0.00000
637 0.0492 0.00000
638 0.0011 0.00000
639 0.0475 0.00000
640 0.0528 0.00000
641 0.0458 0.00000
642 0.0006 0.00000
643 0.0194 0.00000
644 0.0312 0.00000
645 0.0076 0.00000
646 -0.0010 0.00000
647 0.0460 0.00000
648 0.0376 0.00000
649 0.0297 0.00000
650 0.0132 0.00000
651 0.0334 0.00000
652 -0.0113 0.00000
653 -0.0056 0.00000
654 0.0769 0.00000
655 0.0239 0.00000
656 0.0308 0.00000
657 0.0537 0.00000
658 -0.0413 0.00000
659 -0.0046 0.00000
660 0.0070 0.00000
661 0.0170 0.00000
662 0.0401 0.00000
663 0.0142 0.00000
664 -0.0088 0.00000
665 0.0287 0.00000
666 0.0149 0.00000
667 0.0111 0.00000
668 -0.0384 0.00000
669 0.0397 0.00000
670 -0.0083 0.00000
671 -0.0215 0.00000
672 0.0030 0.00000
673 0.0259 0.00000
674 0.0284 0.00000
675 0.0304 0.00000
676 0.0334 0.00000
677 -0.0029 0.00000
678 0.0429 0.00000
679 0.0019 0.00000
680 0.0316 0.00000
681 0.0264 0.00000
682 0.0079 0.00000
683 0.0261 0.00000
684 0.0342 0.00000
685 -0.0070 0.00000
686 0.0194 0.00000
687 -0.0247 0.00000
688 -0.0041 0.00000
689 -0.0457 0.00000
690 -0.0087 0.00000
691 -0.0498 0.00000
692 0.0246 0.00000
693 0.0046 0.00000
694 0.0492 0.00000
695 0.0057 0.00000
696 -0.0171 0.00000
697 -0.0029 0.00000
698 0.0019 0.00000
699 -0.0167 0.00000
700 0.0321 0.00000
701 0.0042 0.00000
702 -0.0317 0.00000
703 0.0072 0.00000
704 0.0021 0.00000
705 0.0080 0.00000
706 -0.0198 0.00000
707 0.0135 0.00000
708 -0.0206 0.00000
709 -0.0157 0.00000
710 -0.0174 0.00000
711 -0.0130 0.00000
712 -0.0371 0.00000
713 0.0135 0.00000
714 0.0541 0.00000
715 -0.0065 0.00000
716 -0.0193 0.00000
717 -0.0133 0.00000
718 -0.0065 0.00000
719 0.0399 0.00000
720 -0.0133 0.00000
721 0.0249 0.00000
722 0.0333 0.00000
723 -0.0233 0.00000
724 -0.0148 0.00000
725 -0.0452 0.00000
726 -0.0183 0.00000
727 -0.0061 0.00000
728 0.0072 0.00000
729 0.0076 0.00000
730 0.0773 0.00000
731 0.0090 0.00000
732 -0.0093 0.00000
733 0.0946 0.00000
734 0.0256 0.00000
735 0.0262 0.00000
736 -0.0340 0.00000
737 0.0068 0.00000
738 -0.0150 0.00000
739 0.0127 0.00000
740 -0.0123 0.00000
741 -0.0110 0.00000
742 0.0479 0.00000
743 -0.0018 0.00000
744 0.0587 0.00000
745 0.0018 0.00000
746 0.0362 0.00000
747 0.1307 0.00000
748 -0.0598 0.00000
749 0.0025 0.00000
750 -0.0797 0.00000
751 -0.0149 0.00000
752 -0.0238 0.00000
753 -0.0148 0.00000
754 -0.0275 0.00000
755 0.0204 0.00000
756 -0.0238 0.00000
757 0.0437 0.00000
758 -0.0164 0.00000
759 0.0196 0.00000
760 0.0302 0.00000
761 0.0112 0.00000
762 0.0101 0.00000
763 0.0100 0.00000
764 -0.0019 0.00000
765 0.0010 0.00000
766 -0.0391 0.00000
767 0.0086 0.00000
768 0.0250 0.00000
769 -0.0823 0.00000
770 -0.0473 0.00000
771 -0.0593 0.00000
772 -0.0164 0.00000
773 0.0093 0.00000
774 0.0088 0.00000
775 -0.0138 0.00000
776 0.0005 0.00000
777 0.0019 0.00000
778 -0.0294 0.00000
779 0.0376 0.00000
780 -0.0271 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0676 0.00000
4 -0.0725 0.00000
5 -0.6682 0.00000
6 -0.0883 0.00000
7 -0.0351 0.00000
8 -0.1711 0.00000
9 0.4584 0.00000
10 0.1291 0.00000
11 0.0210 0.00000
12 -0.0384 0.00000
13 -0.0334 0.00000
14 0.0381 0.00000
15 0.0536 0.00000
16 -0.0487 0.00000
17 0.0032 0.00000
18 -0.5975 0.00000
19 -0.0100 0.00000
20 0.0443 0.00000
21 -0.0619 0.00000
22 0.3177 0.00000
23 -0.0557 0.00000
24 0.1590 0.00000
25 0.4338 0.00000
26 0.0815 0.00000
27 0.1187 0.00000
28 -0.1422 0.00000
29 0.0880 0.00000
30 0.0272 0.00000
31 0.1895 0.00000
32 0.1530 0.00000
33 -0.0656 0.00000
34 0.0537 0.00000
35 -0.0766 0.00000
36 0.2862 0.00000
37 -0.0341 0.00000
38 -0.3228 0.00000
39 0.2108 0.00000
40 0.1239 0.00000
41 -0.3054 0.00000
42 0.0333 0.00000
43 0.0790 0.00000
44 0.0340 0.00000
45 0.5276 0.00000
46 0.0669 0.00000
47 0.0639 0.00000
48 0.0364 0.00000
49 0.0701 0.00000
50 0.1790 0.00000
51 0.1537 0.00000
52 -0.4952 0.00000
53 -0.0639 0.00000
54 -0.0625 0.00000
55 0.0968 0.00000
56 0.2585 0.00000
57 0.0122 0.00000
58 -0.4239 0.00000
59 -0.7937 0.00000
60 -0.4643 0.00000
61 -0.0127 0.00000
62 0.0424 0.00000
63 -0.0603 0.00000
64 0.2080 0.00000
65 -0.5721 0.00000
66 -0.2661 0.00000
67 -1.1331 0.00000
68 0.1715 0.00000
69 -0.1550 0.00000
70 -0.1669 0.00000
71 -0.1589 0.00000
72 -0.1189 0.00000
73 -0.1982 0.00000
74 -0.1941 0.00000
75 -0.0662 0.00000
76 0.0080 0.00000
77 -0.0608 0.00000
78 -0.2711 0.00000
79 -0.0031 0.00000
80 -0.0314 0.00000
81 0.0208 0.00000
82 0.0736 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0870 0.00000
90 0.0634 0.00000
91 0.0618 0.00000
92 0.0939 0.00000
93 0.0228 0.00000
94 -0.0314 0.00000
95 0.1049 0.00000
96 0.0923 0.00000
97 0.0112 0.00000
98 0.1068 0.00000
99 0.1278 0.00000
100 -0.0157 0.00000
101 0.0884 0.00000
102 0.2698 0.00000
103 -0.0460 0.00000
104 0.1545 0.00000
105 0.0854 0.00000
106 0.0123 0.00000
107 0.0965 0.00000
108 0.0841 0.00000
109 0.0904 0.00000
110 0.1592 0.00000
111 0.0398 0.00000
112 0.2577 0.00000
113 -0.0603 0.00000
114 0.0315 0.00000
115 0.0333 0.00000
116 0.0229 0.00000
117 -0.0101 0.00000
118 0.0333 0.00000
119 -0.1326 0.00000
120 -0.0086 0.00000
121 0.1610 0.00000
122 0.0999 0.00000
123 0.0599 0.00000
124 0.1532 0.00000
125 0.1011 0.00000
126 0.0404 0.00000
127 -0.0394 0.00000
128 -0.0849 0.00000
129 0.1117 0.00000
130 0.0485 0.00000
131 0.1616 0.00000
132 -0.0281 0.00000
133 -0.0620 0.00000
134 0.0709 0.00000
135 -0.1101 0.00000
136 0.0307 0.00000
137 -0.0072 0.00000
138 -0.0186 0.00000
139 0.0562 0.00000
140 -0.0289 0.00000
141 0.0355 0.00000
142 -0.0771 0.00000
143 0.0111 0.00000
144 -0.0531 0.00000
145 -0.0913 0.00000
146 -0.0692 0.00000
147 -0.0707 0.00000
148 0.0220 0.00000
149 -1.0146 0.00000
150 0.0936 0.00000
151 -0.0456 0.00000
152 0.0565 0.00000
153 0.0641 0.00000
154 -0.1004 0.00000
155 -0.0810 0.00000
156 -0.0298 0.00000
157 -0.1171 0.00000
158 0.0841 0.00000
159 0.0401 0.00000
160 0.0665 0.00000
161 0.0837 0.00000
162 -0.1326 0.00000
163 0.0393 0.00000
164 0.4674 0.00000
165 -0.0469 0.00000
166 -0.0486 0.00000
167 0.0323 0.00000
168 0.0156 0.00000
169 0.0168 0.00000
170 -0.0383 0.00000
171 0.0520 0.00000
172 -0.0417 0.00000
173 -0.1412 0.00000
174 -0.0535 0.00000
175 0.0754 0.00000
176 -0.0115 0.00000
177 0.1176 0.00000
178 -0.0365 0.00000
179 0.0127 0.00000
180 -0.0813 0.00000
181 0.0813 0.00000
182 0.0284 0.00000
183 0.0784 0.00000
184 -0.0443 0.00000
185 0.0357 0.00000
186 0.0163 0.00000
187 0.2599 0.00000
188 -0.0928 0.00000
189 -0.0540 0.00000
190 -0.0575 0.00000
191 -0.0063 0.00000
192 -0.0914 0.00000
193 -0.2419 0.00000
194 -0.1357 0.00000
195 0.0517 0.00000
196 -0.0166 0.00000
197 0.0289 0.00000
198 0.1422 0.00000
199 -0.2005 0.00000
200 -0.1116 0.00000
201 -0.0317 0.00000
202 0.1687 0.00000
203 0.1376 0.00000
204 0.0413 0.00000
205 -0.0200 0.00000
206 -0.3867 0.00000
207 -0.7257 0.00000
208 -0.5020 0.00000
209 -0.5245 0.00000
210 0.1656 0.00000
211 -0.1663 0.00000
212 0.0513 0.00000
213 -0.1701 0.00000
214 -0.0350 0.00000
215 -0.0313 0.00000
216 -0.2921 0.00000
217 -0.0076 0.00000
218 -0.0882 0.00000
219 0.8463 0.00000
220 -0.2259 0.00000
221 0.4401 0.00000
222 -0.0711 0.00000
223 -0.1824 0.00000
224 0.2395 0.00000
225 -0.0339 0.00000
226 -0.3166 0.00000
227 -0.0691 0.00000
228 -0.1151 0.00000
229 -0.2277 0.00000
230 -0.0682 0.00000
231 0.0934 0.00000
232 -0.0401 0.00000
233 -0.0448 0.00000
234 0.0208 0.00000
235 0.0775 0.00000
236 0.0137 0.00000
237 0.0396 0.00000
238 0.0795 0.00000
239 0.0872 0.00000
240 0.0483 0.00000
241 0.0310 0.00000
242 -0.0003 0.00000
243 0.0374 0.00000
244 -0.0221 0.00000
245 0.1503 0.00000
246 0.0478 0.00000
247 0.0184 0.00000
248 0.4311 0.00000
249 0.0646 0.00000
250 0.0800 0.00000
251 0.0495 0.00000
252 0.0390 0.00000
253 0.0413 0.00000
254 0.0381 0.00000
255 -0.0132 0.00000
256 0.1713 0.00000
257 -0.0488 0.00000
258 0.1626 0.00000
259 0.0044 0.00000
260 0.0310 0.00000
261 0.0204 0.00000
262 0.0145 0.00000
263 0.0330 0.00000
264 0.0091 0.00000
265 0.0507 0.00000
266 0.0195 0.00000
267 0.0116 0.00000
268 0.0176 0.00000
269 -0.0108 0.00000
270 0.0478 0.00000
271 -0.0280 0.00000
272 0.0754 0.00000
273 0.1461 0.00000
274 0.0095 0.00000
275 0.0206 0.00000
276 0.1074 0.00000
277 0.0454 0.00000
278 0.0857 0.00000
279 0.0210 0.00000
280 0.1226 0.00000
281 -0.0249 0.00000
282 0.0209 0.00000
283 -0.0120 0.00000
284 0.0261 0.00000
285 0.0878 0.00000
286 0.0678 0.00000
287 0.0638 0.00000
288 0.0264 0.00000
289 0.0627 0.00000
290 0.0582 0.00000
291 0.0903 0.00000
292 0.0554 0.00000
293 0.0731 0.00000
294 0.0388 0.00000
295 0.0063 0.00000
296 0.0438 0.00000
297 0.0473 0.00000
298 0.0405 0.00000
299 0.1690 0.00000
300 0.0848 0.00000
301 0.0393 0.00000
302 0.0542 0.00000
303 0.1004 0.00000
304 0.0390 0.00000
305 0.0919 0.00000
306 0.1550 0.00000
307 0.0839 0.00000
308 0.0503 0.00000
309 -0.0261 0.00000
310 0.0865 0.00000
311 0.1009 0.00000
312 0.1175 0.00000
313 0.0794 0.00000
314 0.0101 0.00000
315 0.1050 0.00000
316 0.1370 0.00000
317 0.0145 0.00000
318 0.1359 0.00000
319 0.0518 0.00000
320 0.0279 0.00000
321 0.0339 0.00000
322 0.1395 0.00000
323 0.0652 0.00000
324 0.1530 0.00000
325 0.0133 0.00000
326 0.0455 0.00000
327 0.0467 0.00000
328 -0.0106 0.00000
329 0.0552 0.00000
330 0.0004 0.00000
331 0.0407 0.00000
332 0.0714 0.00000
333 -0.0484 0.00000
334 0.0205 0.00000
335 0.0495 0.00000
336 0.0420 0.00000
337 0.0225 0.00000
338 -0.0482 0.00000
339 0.0282 0.00000
340 -0.0016 0.00000
341 -0.0180 0.00000
342 -0.0097 0.00000
343 -0.0086 0.00000
344 0.0038 0.00000
345 0.0106 0.00000
346 -0.0055 0.00000
347 0.0208 0.00000
348 0.0337 0.00000
349 0.0362 0.00000
350 -0.1094 0.00000
351 -0.0664 0.00000
352 0.0224 0.00000
353 0.1212 0.00000
354 -0.1714 0.00000
355 -0.0862 0.00000
356 -0.0803 0.00000
357 0.0027 0.00000
358 0.0211 0.00000
359 0.1730 0.00000
360 0.0099 0.00000
361 -0.0132 0.00000
362 0.0541 0.00000
363 -0.0370 0.00000
364 -0.0289 0.00000
365 -0.3150 0.00000
366 0.0163 0.00000
367 -0.0956 0.00000
368 -0.0095 0.00000
369 -0.0450 0.00000
370 -0.0761 0.00000
371 0.0946 0.00000
372 -0.0165 0.00000
373 -0.0400 0.00000
374 0.0137 0.00000
375 0.0126 0.00000
376 -0.0517 0.00000
377 0.0066 0.00000
378 -0.1278 0.00000
379 0.0722 0.00000
380 -0.0954 0.00000
381 0.0307 0.00000
382 -0.1452 0.00000
383 -0.0908 0.00000
384 0.0103 0.00000
385 0.1901 0.00000
386 0.1000 0.00000
387 0.0502 0.00000
388 -0.0100 0.00000
389 -0.1407 0.00000
390 -0.0763 0.00000
391 -0.1246 0.00000
392 0.0176 0.00000
393 -0.0391 0.00000
394 -0.0267 0.00000
395 -0.0546 0.00000
396 0.0692 0.00000
397 -0.1250 0.00000
398 -0.0082 0.00000
399 0.0758 0.00000
400 -0.2111 0.00000
401 -0.0176 0.00000
402 -0.0207 0.00000
403 -0.0429 0.00000
404 0.0439 0.00000
405 -0.1315 0.00000
406 -0.0462 0.00000
407 -0.0842 0.00000
408 -0.2405 0.00000
409 0.1178 0.00000
410 -0.1353 0.00000
411 -0.6772 0.00000
412 -0.1086 0.00000
413 -0.0034 0.00000
414 -0.0799 0.00000
415 -0.0054 0.00000
416 -0.0478 0.00000
417 0.0556 0.00000
418 -0.0051 0.00000
419 -0.0828 0.00000
420 -0.1384 0.00000
421 -0.0698 0.00000
422 -0.0064 0.00000
423 0.0121 0.00000
424 -0.0015 0.00000
425 -0.0035 0.00000
426 -0.0858 0.00000
427 0.0055 0.00000
428 -0.0273 0.00000
429 -0.0192 0.00000
430 -0.0285 0.00000
431 0.0382 0.00000
432 -0.0710 0.00000
433 -0.0026 0.00000
434 -0.0449 0.00000
435 0.0253 0.00000
436 -0.0342 0.00000
437 -0.1544 0.00000
438 -0.0016 0.00000
439 0.0070 0.00000
440 0.0187 0.00000
441 -0.0232 0.00000
442 -0.0581 0.00000
443 -0.0205 0.00000
444 0.0572 0.00000
445 -0.0678 0.00000
446 0.0198 0.00000
447 -0.0344 0.00000
448 0.0593 0.00000
449 0.0697 0.00000
450 0.0144 0.00000
451 -0.0585 0.00000
452 -0.0337 0.00000
453 0.0458 0.00000
454 -0.0738 0.00000
455 -0.0207 0.00000
456 -0.0121 0.00000
457 0.0325 0.00000
458 -0.0359 0.00000
459 -0.0677 0.00000
460 -0.0223 0.00000
461 0.0422 0.00000
462 -0.0288 0.00000
463 0.0298 0.00000
464 -0.0236 0.00000
465 -0.1122 0.00000
466 0.0318 0.00000
467 0.0640 0.00000
468 0.0040 0.00000
469 -0.0121 0.00000
470 0.1383 0.00000
471 -0.0591 0.00000
472 0.0532 0.00000
473 0.0262 0.00000
474 0.0532 0.00000
475 0.0926 0.00000
476 -0.0001 0.00000
477 0.0091 0.00000
478 -0.0046 0.00000
479 0.0177 0.00000
480 -0.0513 0.00000
481 -0.0032 0.00000
482 -0.0753 0.00000
483 -0.0224 0.00000
484 0.0187 0.00000
485 0.0219 0.00000
486 0.1596 0.00000
487 0.0598 0.00000
488 -0.0186 0.00000
489 0.0337 0.00000
490 -0.0036 0.00000
491 0.0311 0.00000
492 -0.0228 0.00000
493 0.0020 0.00000
494 0.0075 0.00000
495 0.0525 0.00000
496 -0.0612 0.00000
497 -0.0615 0.00000
498 -0.0306 0.00000
499 -0.0057 0.00000
500 0.2801 0.00000
501 -0.1435 0.00000
502 -0.0439 0.00000
503 0.0231 0.00000
504 -0.0419 0.00000
505 0.0314 0.00000
506 -0.0117 0.00000
507 -0.0029 0.00000
508 -0.0111 0.00000
509 0.0749 0.00000
510 0.2557 0.00000
511 0.0082 0.00000
512 0.0031 0.00000
513 -0.0718 0.00000
514 0.0784 0.00000
515 -0.0608 0.00000
516 0.0425 0.00000
517 0.0200 0.00000
518 -0.1054 0.00000
519 -0.0178 0.00000
520 0.0057 0.00000
521 0.1082 0.00000
522 -0.2304 0.00000
523 -0.1248 0.00000
524 0.0025 0.00000
525 0.0367 0.00000
526 -0.0350 0.00000
527 -0.0003 0.00000
528 -0.3454 0.00000
529 0.0331 0.00000
530 -0.0644 0.00000
531 -0.1640 0.00000
532 -0.0417 0.00000
533 -0.0408 0.00000
534 -0.1247 0.00000
535 -0.0571 0.00000
536 -0.0690 0.00000
537 -0.1252 0.00000
538 0.0327 0.00000
539 -0.1022 0.00000
540 -0.0556 0.00000
541 -0.1609 0.00000
542 -0.1432 0.00000
543 0.0584 0.00000
544 -0.0109 0.00000
545 -0.0058 0.00000
546 -0.0981 0.00000
547 0.0079 0.00000
548 0.0061 0.00000
549 -0.0618 0.00000
550 -0.0599 0.00000
551 0.0717 0.00000
552 -0.0470 0.00000
553 -0.0425 0.00000
554 -0.0313 0.00000
555 0.0326 0.00000
556 -0.0532 0.00000
557 -0.0011 0.00000
558 -0.0201 0.00000
559 0.0181 0.00000
560 -0.0144 0.00000
561 0.0720 0.00000
562 -0.0351 0.00000
563 0.0336 0.00000
564 0.0489 0.00000
565 0.0437 0.00000
566 0.0340 0.00000
567 0.0513 0.00000
568 0.0304 0.00000
569 -0.0242 0.00000
570 -0.0336 0.00000
571 0.0325 0.00000
572 0.0198 0.00000
573 0.0260 0.00000
574 -0.0121 0.00000
575 0.0727 0.00000
576 -0.0174 0.00000
577 0.0251 0.00000
578 0.0138 0.00000
579 -0.0008 0.00000
580 0.0944 0.00000
581 -0.0099 0.00000
582 0.0299 0.00000
583 -0.0823 0.00000
584 -0.0753 0.00000
585 -0.0812 0.00000
586 -0.0942 0.00000
587 0.0158 0.00000
588 -0.0803 0.00000
589 0.0471 0.00000
590 -0.0587 0.00000
591 -0.0511 0.00000
592 -0.0510 0.00000
593 -0.0358 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0815 0.00000
597 0.0867 0.00000
598 -0.0255 0.00000
599 -0.0427 0.00000
600 -0.0064 0.00000
601 -0.3744 0.00000
602 -0.0165 0.00000
603 0.0493 0.00000
604 0.0059 0.00000
605 0.0309 0.00000
606 -0.0593 0.00000
607 -0.0756 0.00000
608 -0.0243 0.00000
609 0.0524 0.00000
610 0.0253 0.00000
611 0.0337 0.00000
612 -0.0145 0.00000
613 0.0053 0.00000
614 0.1436 0.00000
615 -0.0232 0.00000
616 0.1723 0.00000
617 -0.0051 0.00000
618 0.0014 0.00000
619 -0.0195 0.00000
620 0.0583 0.00000
621 -0.0080 0.00000
622 0.0332 0.00000
623 0.0329 0.00000
624 0.0665 0.00000
625 0.0396 0.00000
626 0.0500 0.00000
627 0.0357 0.00000
628 0.0353 0.00000
629 -0.0115 0.00000
630 0.1424 0.00000
631 0.0279 0.00000
632 0.0633 0.00000
633 0.0847 0.00000
634 0.0440 0.00000
635 0.0158 0.00000
636 0.0454 0.00000
637 -0.0038 0.00000
638 0.0369 0.00000
639 0.0606 0.00000
640 0.0627 0.00000
641 0.0082 0.00000
642 0.0388 0.00000
643 0.0622 0.00000
644 -0.0332 0.00000
645 0.0162 0.00000
646 0.0578 0.00000
647 0.0271 0.00000
648 0.0476 0.00000
649 0.0430 0.00000
650 0.0399 0.00000
651 0.0019 0.00000
652 0.0153 0.00000
653 -0.0144 0.00000
654 0.0028 0.00000
655 0.0159 0.00000
656 0.0067 0.00000
657 0.0202 0.00000
658 -0.0062 0.00000
659 0.0093 0.00000
660 0.0494 0.00000
661 0.0533 0.00000
662 0.0650 0.00000
663 0.0150 0.00000
664 0.0081 0.00000
665 -0.0111 0.00000
666 0.0012 0.00000
667 -0.0015 0.00000
668 0.0531 0.00000
669 -0.0212 0.00000
670 0.0142 0.00000
671 0.0525 0.00000
672 0.0359 0.00000
673 -0.0092 0.00000
674 0.0241 0.00000
675 0.0406 0.00000
676 -0.0269 0.00000
677 0.0033 0.00000
678 -0.0201 0.00000
679 0.0475 0.00000
680 0.0093 0.00000
681 0.0436 0.00000
682 0.0283 0.00000
683 0.0306 0.00000
684 0.0413 0.00000
685 0.0171 0.00000
686 -0.0098 0.00000
687 -0.0802 0.00000
688 -0.0093 0.00000
689 0.0323 0.00000
690 0.0230 0.00000
691 -0.0193 0.00000
692 -0.0577 0.00000
693 -0.0921 0.00000
694 0.0356 0.00000
695 0.0127 0.00000
696 -0.0257 0.00000
697 -0.0262 0.00000
698 0.0302 0.00000
699 -0.0189 0.00000
700 -0.0498 0.00000
701 -0.0171 0.00000
702 0.0286 0.00000
703 0.0294 0.00000
704 0.0163 0.00000
705 -0.0283 0.00000
706 -0.0392 0.00000
707 0.0253 0.00000
708 -0.0611 0.00000
709 -0.0038 0.00000
710 0.0183 0.00000
711 -0.0088 0.00000
712 -0.0104 0.00000
713 0.0374 0.00000
714 -0.0141 0.00000
715 -0.0323 0.00000
716 -0.0410 0.00000
717 0.0548 0.00000
718 0.0021 0.00000
719 0.0414 0.00000
720 -0.0098 0.00000
721 0.0254 0.00000
722 0.0895 0.00000
723 -0.0010 0.00000
724 0.0353 0.00000
725 -0.0092 0.00000
726 -0.0284 0.00000
727 -0.0187 0.00000
728 -0.0180 0.00000
729 0.0238 0.00000
730 0.0229 0.00000
731 0.0020 0.00000
732 0.0035 0.00000
733 0.0184 0.00000
734 0.0695 0.00000
735 -0.0219 0.00000
736 0.0123 0.00000
737 -0.0112 0.00000
738 0.0369 0.00000
739 -0.0023 0.00000
740 0.0684 0.00000
741 0.0045 0.00000
742 -0.0005 0.00000
743 0.0835 0.00000
744 -0.0481 0.00000
745 -0.0042 0.00000
746 0.0343 0.00000
747 0.0404 0.00000
748 -0.0218 0.00000
749 -0.0156 0.00000
750 -0.0405 0.00000
751 0.0077 0.00000
752 0.0160 0.00000
753 0.0467 0.00000
754 -0.0557 0.00000
755 -0.0171 0.00000
756 0.0021 0.00000
757 -0.1324 0.00000
758 0.0231 0.00000
759 0.0725 0.00000
760 0.0270 0.00000
761 -0.0000 0.00000
762 0.0228 0.00000
763 -0.0079 0.00000
764 -0.0342 0.00000
765 -0.0508 0.00000
766 -0.0038 0.00000
767 -0.0386 0.00000
768 0.0199 0.00000
769 0.0028 0.00000
770 0.0290 0.00000
771 0.0205 0.00000
772 -0.0379 0.00000
773 0.0038 0.00000
774 0.0087 0.00000
775 -0.0134 0.00000
776 -0.0060 0.00000
777 -0.0164 0.00000
778 -0.0076 0.00000
779 0.0033 0.00000
780 -0.0645 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0676 0.00000
4 -0.0925 0.00000
5 -0.6482 0.00000
6 -0.0872 0.00000
7 -0.0360 0.00000
8 -0.1710 0.00000
9 0.4537 0.00000
10 0.1309 0.00000
11 0.0235 0.00000
12 -0.0393 0.00000
13 -0.0335 0.00000
14 0.0383 0.00000
15 0.0581 0.00000
16 0.1327 0.00000
17 -0.3348 0.00000
18 -0.4363 0.00000
19 -0.0257 0.00000
20 0.0532 0.00000
21 -0.0627 0.00000
22 0.3113 0.00000
23 -0.1084 0.00000
24 0.0570 0.00000
25 0.6132 0.00000
26 0.1042 0.00000
27 0.1354 0.00000
28 0.0322 0.00000
29 -0.1508 0.00000
30 0.0100 0.00000
31 0.2012 0.00000
32 0.1251 0.00000
33 0.0165 0.00000
34 -0.0067 0.00000
35 -0.0674 0.00000
36 0.2935 0.00000
37 -0.0148 0.00000
38 -0.3375 0.00000
39 0.1305 0.00000
40 0.2157 0.00000
41 -0.3315 0.00000
42 0.1177 0.00000
43 0.0790 0.00000
44 0.2019 0.00000
45 0.1776 0.00000
46 0.0791 0.00000
47 0.0295 0.00000
48 0.2820 0.00000
49 -0.0415 0.00000
50 0.1350 0.00000
51 0.0106 0.00000
52 -0.2599 0.00000
53 -0.0347 0.00000
54 -0.0884 0.00000
55 -0.0692 0.00000
56 0.5034 0.00000
57 0.0125 0.00000
58 -0.3844 0.00000
59 -1.3457 0.00000
60 0.0094 0.00000
61 0.0524 0.00000
62 0.2235 0.00000
63 -0.0382 0.00000
64 -0.7033 0.00000
65 -0.5687 0.00000
66 -0.0957 0.00000
67 -0.7816 0.00000
68 0.2437 0.00000
69 -0.1393 0.00000
70 -0.2014 0.00000
71 -0.1577 0.00000
72 -0.1198 0.00000
73 -0.2842 0.00000
74 -0.1590 0.00000
75 -0.0472 0.00000
76 0.0002 0.00000
77 -0.0495 0.00000
78 -0.2495 0.00000
79 -0.0276 0.00000
80 -0.0312 0.00000
81 0.0207 0.00000
82 0.0742 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0879 0.00000
90 0.0629 0.00000
91 0.0560 0.00000
92 0.0996 0.00000
93 0.0255 0.00000
94 -0.0433 0.00000
95 0.1094 0.00000
96 0.0951 0.00000
97 -0.0001 0.00000
98 0.1156 0.00000
99 0.1578 0.00000
100 -0.0275 0.00000
101 0.0922 0.00000
102 0.2376 0.00000
103 -0.0053 0.00000
104 0.1303 0.00000
105 0.0769 0.00000
106 0.0147 0.00000
107 0.1033 0.00000
108 0.0865 0.00000
109 0.1280 0.00000
110 0.0498 0.00000
111 0.1333 0.00000
112 0.0775 0.00000
113 0.1093 0.00000
114 0.0597 0.00000
115 -0.0090 0.00000
116 0.0158 0.00000
117 -0.0069 0.00000
118 0.0313 0.00000
119 -0.1249 0.00000
120 -0.0301 0.00000
121 0.2308 0.00000
122 0.0357 0.00000
123 0.1052 0.00000
124 0.1182 0.00000
125 0.0986 0.00000
126 0.0382 0.00000
127 -0.0489 0.00000
128 -0.0582 0.00000
129 0.1089 0.00000
130 0.0144 0.00000
131 0.1595 0.00000
132 -0.0073 0.00000
133 -0.0448 0.00000
134 0.0617 0.00000
135 -0.1111 0.00000
136 0.0307 0.00000
137 -0.0143 0.00000
138 -0.0157 0.00000
139 0.0654 0.00000
140 -0.0284 0.00000
141 0.0359 0.00000
142 -0.0755 0.00000
143 0.0114 0.00000
144 -0.0638 0.00000
145 -0.0889 0.00000
146 -0.0673 0.00000
147 -0.0710 0.00000
148 0.0528 0.00000
149 -1.1109 0.00000
150 0.1385 0.00000
151 0.0295 0.00000
152 -0.1058 0.00000
153 0.0578 0.00000
154 0.1290 0.00000
155 -0.2024 0.00000
156 0.0215 0.00000
157 -0.2002 0.00000
158 0.0229 0.00000
159 0.2331 0.00000
160 0.0747 0.00000
161 0.0078 0.00000
162 -0.0196 0.00000
163 0.0147 0.00000
164 0.3241 0.00000
165 -0.0224 0.00000
166 -0.0214 0.00000
167 -0.0192 0.00000
168 -0.0397 0.00000
169 -0.0136 0.00000
170 0.0124 0.00000
171 -0.0603 0.00000
172 0.0566 0.00000
173 -0.0008 0.00000
174 0.0329 0.00000
175 0.0165 0.00000
176 0.1256 0.00000
177 -0.0315 0.00000
178 -0.0125 0.00000
179 -0.0932 0.00000
180 -0.1240 0.00000
181 0.0457 0.00000
182 0.0045 0.00000
183 0.0342 0.00000
184 0.0371 0.00000
185 0.0288 0.00000
186 -0.0093 0.00000
187 0.3379 0.00000
188 -0.0338 0.00000
189 0.0101 0.00000
190 -0.0798 0.00000
191 -0.0305 0.00000
192 -0.0309 0.00000
193 -0.3907 0.00000
194 -0.0758 0.00000
195 0.0785 0.00000
196 0.0187 0.00000
197 0.0642 0.00000
198 0.0090 0.00000
199 -0.0597 0.00000
200 -0.1151 0.00000
201 -0.0959 0.00000
202 0.0749 0.00000
203 -0.1701 0.00000
204 0.4862 0.00000
205 -0.1094 0.00000
206 -0.9501 0.00000
207 -0.5350 0.00000
208 -0.0377 0.00000
209 -0.4074 0.00000
210 0.1110 0.00000
211 0.0701 0.00000
212 -0.4385 0.00000
213 0.0817 0.00000
214 0.0426 0.00000
215 -0.3605 0.00000
216 -0.0415 0.00000
217 -0.2699 0.00000
218 -0.0843 0.00000
219 0.1292 0.00000
220 0.3190 0.00000
221 0.5292 0.00000
222 0.1205 0.00000
223 0.0635 0.00000
224 0.0335 0.00000
225 -0.2322 0.00000
226 -0.2344 0.00000
227 -0.0357 0.00000
228 -0.1009 0.00000
229 -0.2295 0.00000
230 -0.0545 0.00000
231 0.0917 0.00000
232 -0.0444 0.00000
233 -0.0404 0.00000
234 0.0231 0.00000
235 0.0903 0.00000
236 0.0133 0.00000
237 0.0862 0.00000
238 0.0413 0.00000
239 -0.0284 0.00000
240 0.0550 0.00000
241 0.0760 0.00000
242 0.1501 0.00000
243 0.0349 0.00000
244 -0.0196 0.00000
245 -0.0576 0.00000
246 0.1603 0.00000
247 0.1651 0.00000
248 0.1927 0.00000
249 0.0584 0.00000
250 0.1732 0.00000
251 0.0066 0.00000
252 0.0266 0.00000
253 0.0680 0.00000
254 0.0134 0.00000
255 0.0480 0.00000
256 0.1442 0.00000
257 -0.0327 0.00000
258 0.0867 0.00000
259 0.0459 0.00000
260 0.0265 0.00000
261 0.0678 0.00000
262 -0.0146 0.00000
263 0.0353 0.00000
264 0.0259 0.00000
265 0.0406 0.00000
266 0.0392 0.00000
267 0.0019 0.00000
268 -0.0031 0.00000
269 0.0598 0.00000
270 0.0118 0.00000
271 0.0225 0.00000
272 -0.0192 0.00000
273 0.1419 0.00000
274 0.0307 0.00000
275 0.1530 0.00000
276 0.0380 0.00000
277 0.0280 0.00000
278 -0.0028 0.00000
279 0.0452 0.00000
280 -0.0214 0.00000
281 0.0770 0.00000
282 0.0301 0.00000
283 0.0874 0.00000
284 0.1014 0.00000
285 -0.0038 0.00000
286 0.0343 0.00000
287 0.0327 0.00000
288 -0.0083 0.00000
289 0.0465 0.00000
290 0.0553 0.00000
291 0.0941 0.00000
292 0.1510 0.00000
293 0.0534 0.00000
294 0.0617 0.00000
295 0.0969 0.00000
296 0.0238 0.00000
297 0.0111 0.00000
298 0.0591 0.00000
299 0.0936 0.00000
300 0.0611 0.00000
301 0.1090 0.00000
302 0.0525 0.00000
303 0.0828 0.00000
304 0.1326 0.00000
305 0.0718 0.00000
306 0.0195 0.00000
307 0.0661 0.00000
308 0.1023 0.00000
309 0.0427 0.00000
310 0.0457 0.00000
311 0.1837 0.00000
312 0.0263 0.00000
313 0.0961 0.00000
314 0.1098 0.00000
315 0.0378 0.00000
316 0.0756 0.00000
317 0.0033 0.00000
318 0.1229 0.00000
319 0.1495 0.00000
320 0.0615 0.00000
321 0.0239 0.00000
322 0.1579 0.00000
323 0.1085 0.00000
324 0.0066 0.00000
325 -0.0006 0.00000
326 -0.0126 0.00000
327 0.0477 0.00000
328 0.0671 0.00000
329 -0.0195 0.00000
330 0.0151 0.00000
331 0.0612 0.00000
332 0.0321 0.00000
333 0.0014 0.00000
334 -0.0228 0.00000
335 0.0500 0.00000
336 -0.0074 0.00000
337 -0.0188 0.00000
338 0.0229 0.00000
339 -0.0161 0.00000
340 0.0070 0.00000
341 0.0737 0.00000
342 -0.0316 0.00000
343 -0.0158 0.00000
344 -0.0050 0.00000
345 0.0239 0.00000
346 0.0211 0.00000
347 0.0374 0.00000
348 0.0653 0.00000
349 -0.0176 0.00000
350 0.0545 0.00000
351 -0.0659 0.00000
352 0.0268 0.00000
353 -0.0866 0.00000
354 -0.1228 0.00000
355 -0.0323 0.00000
356 -0.0106 0.00000
357 0.0190 0.00000
358 0.0345 0.00000
359 -0.0666 0.00000
360 -0.0195 0.00000
361 0.0009 0.00000
362 -0.0111 0.00000
363 0.0583 0.00000
364 0.0748 0.00000
365 -0.2664 0.00000
366 0.0342 0.00000
367 -0.0000 0.00000
368 -0.0129 0.00000
369 -0.0471 0.00000
370 -0.0581 0.00000
371 -0.0126 0.00000
372 -0.0426 0.00000
373 -0.1275 0.00000
374 -0.0572 0.00000
375 0.0497 0.00000
376 0.0397 0.00000
377 -0.1060 0.00000
378 -0.0296 0.00000
379 -0.0696 0.00000
380 -0.0560 0.00000
381 -0.0260 0.00000
382 -0.0362 0.00000
383 -0.0677 0.00000
384 0.2617 0.00000
385 0.0096 0.00000
386 -0.0196 0.00000
387 -0.0712 0.00000
388 0.0506 0.00000
389 -0.0691 0.00000
390 0.0211 0.00000
391 -0.0922 0.00000
392 0.0513 0.00000
393 -0.0230 0.00000
394 0.0241 0.00000
395 -0.0647 0.00000
396 -0.1388 0.00000
397 -0.0669 0.00000
398 -0.0846 0.00000
399 -0.0322 0.00000
400 0.0209 0.00000
401 -0.0168 0.00000
402 -0.1320 0.00000
403 -0.1399 0.00000
404 0.0266 0.00000
405 -0.0323 0.00000
406 -0.3076 0.00000
407 -0.3994 0.00000
408 0.3406 0.00000
409 -0.0053 0.00000
410 -0.0414 0.00000
411 -0.4749 0.00000
412 -0.0998 0.00000
413 0.0271 0.00000
414 0.0338 0.00000
415 -0.1151 0.00000
416 -0.0399 0.00000
417 -0.0438 0.00000
418 -0.0491 0.00000
419 -0.1428 0.00000
420 0.0163 0.00000
421 -0.0325 0.00000
422 -0.0679 0.00000
423 0.0022 0.00000
424 -0.1786 0.00000
425 -0.0016 0.00000
426 0.0173 0.00000
427 -0.0927 0.00000
428 -0.0454 0.00000
429 0.0190 0.00000
430 -0.1677 0.00000
431 0.0941 0.00000
432 0.1114 0.00000
433 -0.0478 0.00000
434 0.0155 0.00000
435 -0.0515 0.00000
436 0.0698 0.00000
437 0.0204 0.00000
438 -0.0348 0.00000
439 -0.0722 0.00000
440 -0.0346 0.00000
441 -0.1081 0.00000
442 -0.0439 0.00000
443 -0.0673 0.00000
444 -0.0165 0.00000
445 0.0150 0.00000
446 -0.0238 0.00000
447 -0.0347 0.00000
448 0.1453 0.00000
449 0.0260 0.00000
450 -0.0551 0.00000
451 0.1264 0.00000
452 0.0340 0.00000
453 -0.0802 0.00000
454 -0.0486 0.00000
455 -0.0030 0.00000
456 -0.0241 0.00000
457 -0.1179 0.00000
458 -0.0446 0.00000
459 0.0112 0.00000
460 -0.0406 0.00000
461 -0.0747 0.00000
462 -0.0529 0.00000
463 0.0393 0.00000
464 0.0008 0.00000
465 0.0315 0.00000
466 0.0214 0.00000
467 0.0057 0.00000
468 -0.0097 0.00000
469 0.0710 0.00000
470 -0.0274 0.00000
471 0.0517 0.00000
472 0.0325 0.00000
473 0.0298 0.00000
474 0.0511 0.00000
475 0.0579 0.00000
476 0.0216 0.00000
477 -0.0433 0.00000
478 0.0440 0.00000
479 -0.0345 0.00000
480 0.0377 0.00000
481 -0.0059 0.00000
482 0.0454 0.00000
483 0.1931 0.00000
484 0.0192 0.00000
485 0.0644 0.00000
486 -0.0386 0.00000
487 0.0261 0.00000
488 -0.0314 0.00000
489 -0.0416 0.00000
490 0.0305 0.00000
491 -0.1156 0.00000
492 0.0378 0.00000
493 -0.0195 0.00000
494 0.0650 0.00000
495 0.0528 0.00000
496 -0.0019 0.00000
497 0.0393 0.00000
498 -0.0084 0.00000
499 -0.0103 0.00000
500 -0.0237 0.00000
501 -0.0272 0.00000
502 -0.0345 0.00000
503 -0.0433 0.00000
504 -0.0150 0.00000
505 0.0498 0.00000
506 -0.0579 0.00000
507 0.1029 0.00000
508 0.0391 0.00000
509 0.0364 0.00000
510 0.0976 0.00000
511 -0.0341 0.00000
512 -0.0329 0.00000
513 0.0000 0.00000
514 -0.0548 0.00000
515 0.0453 0.00000
516 -0.0266 0.00000
517 0.0461 0.00000
518 0.0081 0.00000
519 0.0815 0.00000
520 -0.1297 0.00000
521 -0.0270 0.00000
522 0.0985 0.00000
523 0.0454 0.00000
524 -0.0435 0.00000
525 -0.0690 0.00000
526 0.0016 0.00000
527 -0.2110 0.00000
528 -0.0065 0.00000
529 -0.3337 0.00000
530 -0.0577 0.00000
531 -0.0261 0.00000
532 0.0100 0.00000
533 -0.0770 0.00000
534 -0.1580 0.00000
535 -0.0483 0.00000
536 -0.1579 0.00000
537 -0.0979 0.00000
538 -0.0470 0.00000
539 -0.0402 0.00000
540 -0.0589 0.00000
541 -0.0538 0.00000
542 -0.0531 0.00000
543 -0.0440 0.00000
544 -0.0584 0.00000
545 -0.0637 0.00000
546 -0.0430 0.00000
547 -0.0406 0.00000
548 -0.0475 0.00000
549 0.0177 0.00000
550 0.0171 0.00000
551 -0.0226 0.00000
552 -0.0089 0.00000
553 -0.0473 0.00000
554 0.0013 0.00000
555 -0.0915 0.00000
556 0.0016 0.00000
557 0.0053 0.00000
558 0.0944 0.00000
559 0.0329 0.00000
560 0.0115 0.00000
561 0.0859 0.00000
562 -0.0238 0.00000
563 -0.0239 0.00000
564 0.0173 0.00000
565 0.0128 0.00000
566 -0.0066 0.00000
567 -0.0063 0.00000
568 -0.0204 0.00000
569 -0.0110 0.00000
570 0.0891 0.00000
571 0.0444 0.00000
572 0.0076 0.00000
573 0.0159 0.00000
574 -0.0242 0.00000
575 0.0305 0.00000
576 0.0352 0.00000
577 0.0819 0.00000
578 0.0294 0.00000
579 -0.0119 0.00000
580 0.0273 0.00000
581 0.0204 0.00000
582 -0.0542 0.00000
583 -0.0123 0.00000
584 -0.0762 0.00000
585 -0.0608 0.00000
586 -0.1100 0.00000
587 0.0192 0.00000
588 -0.0872 0.00000
589 0.0475 0.00000
590 -0.0601 0.00000
591 -0.0481 0.00000
592 -0.0484 0.00000
593 -0.0370 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0816 0.00000
597 0.0868 0.00000
598 -0.0186 0.00000
599 0.0128 0.00000
600 -0.2299 0.00000
601 -0.0389 0.00000
602 -0.0356 0.00000
603 -0.1606 0.00000
604 -0.0840 0.00000
605 -0.0076 0.00000
606 0.0387 0.00000
607 0.0153 0.00000
608 0.0469 0.00000
609 0.0543 0.00000
610 0.0046 0.00000
611 0.0105 0.00000
612 0.0108 0.00000
613 -0.0884 0.00000
614 0.0458 0.00000
615 0.0482 0.00000
616 0.0147 0.00000
617 0.0081 0.00000
618 0.0649 0.00000
619 0.0642 0.00000
620 0.0863 0.00000
621 -0.0026 0.00000
622 0.1491 0.00000
623 0.0128 0.00000
624 0.0391 0.00000
625 0.0323 0.00000
626 0.0242 0.00000
627 0.0330 0.00000
628 0.1399 0.00000
629 0.0029 0.00000
630 0.0615 0.00000
631 0.0960 0.00000
632 0.0671 0.00000
633 -0.0006 0.00000
634 0.0366 0.00000
635 0.0425 0.00000
636 0.0246 0.00000
637 0.0584 0.00000
638 0.0215 0.00000
639 0.0275 0.00000
640 0.0144 0.00000
641 -0.0041 0.00000
642 0.0056 0.00000
643 0.0112 0.00000
644 0.0390 0.00000
645 0.0473 0.00000
646 0.0722 0.00000
647 0.0469 0.00000
648 0.0172 0.00000
649 0.0396 0.00000
650 0.0139 0.00000
651 -0.0824 0.00000
652 0.0041 0.00000
653 0.0317 0.00000
654 -0.0197 0.00000
655 0.0368 0.00000
656 -0.0087 0.00000
657 0.0766 0.00000
658 0.0341 0.00000
659 0.0227 0.00000
660 0.0008 0.00000
661 0.0431 0.00000
662 0.0130 0.00000
663 0.0119 0.00000
664 0.0005 0.00000
665 -0.0060 0.00000
666 0.0140 0.00000
667 -0.0064 0.00000
668 0.0382 0.00000
669 0.0252 0.00000
670 0.0250 0.00000
671 -0.0041 0.00000
672 -0.0033 0.00000
673 0.0639 0.00000
674 0.0230 0.00000
675 -0.0055 0.00000
676 0.0388 0.00000
677 0.0297 0.00000
678 0.0217 0.00000
679 0.0279 0.00000
680 -0.0407 0.00000
681 0.0413 0.00000
682 -0.0589 0.00000
683 0.0235 0.00000
684 0.0310 0.00000
685 0.0487 0.00000
686 -0.0221 0.00000
687 0.0203 0.00000
688 0.0313 0.00000
689 0.0087 0.00000
690 -0.0103 0.00000
691 0.0422 0.00000
692 -0.0516 0.00000
693 -0.0575 0.00000
694 -0.0005 0.00000
695 0.0185 0.00000
696 -0.0224 0.00000
697 0.0371 0.00000
698 0.0311 0.00000
699 0.0290 0.00000
700 -0.0316 0.00000
701 -0.0374 0.00000
702 0.0176 0.00000
703 -0.0190 0.00000
704 -0.0151 0.00000
705 0.0171 0.00000
706 0.0015 0.00000
707 -0.0438 0.00000
708 -0.0490 0.00000
709 -0.0183 0.00000
710 -0.0130 0.00000
711 0.0026 0.00000
712 0.0153 0.00000
713 0.0155 0.00000
714 -0.0135 0.00000
715 0.0008 0.00000
716 0.0223 0.00000
717 0.0116 0.00000
718 0.0264 0.00000
719 0.0021 0.00000
720 0.0099 0.00000
721 0.0142 0.00000
722 -0.0010 0.00000
723 -0.0649 0.00000
724 0.0266 0.00000
725 0.0216 0.00000
726 0.0496 0.00000
727 -0.0817 0.00000
728 -0.0089 0.00000
729 0.0346 0.00000
730 0.0723 0.00000
731 0.0394 0.00000
732 0.0055 0.00000
733 0.0425 0.00000
734 -0.0021 0.00000
735 -0.0315 0.00000
736 -0.0439 0.00000
737 0.0324 0.00000
738 0.0216 0.00000
739 -0.0020 0.00000
740 0.0105 0.00000
741 -0.0034 0.00000
742 -0.0357 0.00000
743 -0.0193 0.00000
744 0.0783 0.00000
745 0.0387 0.00000
746 0.0621 0.00000
747 0.0243 0.00000
748 0.0224 0.00000
749 0.0170 0.00000
750 -0.0713 0.00000
751 -0.0083 0.00000
752 -0.0321 0.00000
753 -0.0243 0.00000
754 0.0175 0.00000
755 -0.0479 0.00000
756 -0.0018 0.00000
757 0.0214 0.00000
758 0.0048 0.00000
759 0.0102 0.00000
760 0.0496 0.00000
761 -0.0639 0.00000
762 0.0289 0.00000
763 -0.0027 0.00000
764 -0.0058 0.00000
765 -0.0605 0.00000
766 0.0221 0.00000
767 -0.0139 0.00000
768 0.0019 0.00000
769 -0.0226 0.00000
770 -0.0073 0.00000
771 0.0019 0.00000
772 0.0117 0.00000
773 0.0074 0.00000
774 0.0060 0.00000
775 -0.0464 0.00000
776 -0.0451 0.00000
777 -0.0046 0.00000
778 0.0140 0.00000
779 0.0171 0.00000
780 0.0045 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0676 0.00000
4 -0.0832 0.00000
5 -0.6579 0.00000
6 -0.0864 0.00000
7 -0.0360 0.00000
8 -0.1699 0.00000
9 0.4510 0.00000
10 0.1321 0.00000
11 0.0238 0.00000
12 -0.0379 0.00000
13 -0.0334 0.00000
14 0.0377 0.00000
15 0.0579 0.00000
16 -0.0069 0.00000
17 -0.6020 0.00000
18 -0.0043 0.00000
19 0.0051 0.00000
20 0.0069 0.00000
21 -0.0627 0.00000
22 0.3195 0.00000
23 -0.0933 0.00000
24 0.1045 0.00000
25 0.4862 0.00000
26 0.1380 0.00000
27 0.1077 0.00000
28 0.0455 0.00000
29 -0.0739 0.00000
30 -0.0004 0.00000
31 0.1589 0.00000
32 0.1636 0.00000
33 -0.0373 0.00000
34 0.0394 0.00000
35 -0.0788 0.00000
36 0.2243 0.00000
37 -0.0390 0.00000
38 -0.3011 0.00000
39 0.3118 0.00000
40 0.1245 0.00000
41 -0.3223 0.00000
42 0.0394 0.00000
43 0.0799 0.00000
44 0.0511 0.00000
45 0.4714 0.00000
46 0.0381 0.00000
47 0.0777 0.00000
48 -0.0365 0.00000
49 -0.0551 0.00000
50 0.5055 0.00000
51 -0.5343 0.00000
52 0.0520 0.00000
53 -0.0438 0.00000
54 -0.0899 0.00000
55 -0.0722 0.00000
56 0.4267 0.00000
57 0.0063 0.00000
58 -0.4369 0.00000
59 -0.0485 0.00000
60 -1.0114 0.00000
61 -0.0068 0.00000
62 0.1284 0.00000
63 -0.0629 0.00000
64 -0.5483 0.00000
65 -0.6299 0.00000
66 -0.0500 0.00000
67 0.1300 0.00000
68 -0.6904 0.00000
69 -0.1391 0.00000
70 -0.2004 0.00000
71 -0.1580 0.00000
72 -0.1198 0.00000
73 -0.2866 0.00000
74 -0.1574 0.00000
75 -0.0554 0.00000
76 0.0024 0.00000
77 -0.0550 0.00000
78 -0.2883 0.00000
79 0.0187 0.00000
80 -0.0309 0.00000
81 0.0207 0.00000
82 0.0744 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0881 0.00000
90 0.0612 0.00000
91 0.0770 0.00000
92 0.0802 0.00000
93 0.0251 0.00000
94 -0.0371 0.00000
95 0.1005 0.00000
96 0.1036 0.00000
97 -0.0141 0.00000
98 0.0747 0.00000
99 0.1389 0.00000
100 0.1334 0.00000
101 -0.0189 0.00000
102 0.2554 0.00000
103 0.0092 0.00000
104 0.1162 0.00000
105 0.0804 0.00000
106 0.0082 0.00000
107 0.0327 0.00000
108 0.1407 0.00000
109 0.1098 0.00000
110 0.1236 0.00000
111 0.1061 0.00000
112 0.0884 0.00000
113 0.0864 0.00000
114 0.0639 0.00000
115 -0.0104 0.00000
116 0.0087 0.00000
117 -0.0019 0.00000
118 0.0321 0.00000
119 -0.0957 0.00000
120 -0.0417 0.00000
121 0.2167 0.00000
122 0.0437 0.00000
123 0.0576 0.00000
124 0.1587 0.00000
125 0.0976 0.00000
126 0.0476 0.00000
127 -0.0385 0.00000
128 -0.0879 0.00000
129 0.1147 0.00000
130 0.0357 0.00000
131 0.1157 0.00000
132 0.0104 0.00000
133 -0.0426 0.00000
134 0.0672 0.00000
135 -0.1095 0.00000
136 0.0381 0.00000
137 -0.0205 0.00000
138 -0.0150 0.00000
139 0.0575 0.00000
140 -0.0311 0.00000
141 0.0362 0.00000
142 -0.0744 0.00000
143 0.0093 0.00000
144 -0.0547 0.00000
145 -0.0917 0.00000
146 -0.0668 0.00000
147 -0.0711 0.00000
148 -0.0192 0.00000
149 -1.0492 0.00000
150 0.1042 0.00000
151 0.1399 0.00000
152 -0.0597 0.00000
153 -0.2093 0.00000
154 0.1525 0.00000
155 -0.0809 0.00000
156 0.0648 0.00000
157 -0.0221 0.00000
158 0.0848 0.00000
159 0.0064 0.00000
160 0.0080 0.00000
161 -0.0679 0.00000
162 0.1153 0.00000
163 0.1686 0.00000
164 -0.0182 0.00000
165 0.0527 0.00000
166 -0.0035 0.00000
167 0.0063 0.00000
168 0.0371 0.00000
169 -0.0398 0.00000
170 -0.0473 0.00000
171 -0.0377 0.00000
172 0.1478 0.00000
173 -0.0871 0.00000
174 0.0511 0.00000
175 -0.0014 0.00000
176 0.0603 0.00000
177 0.0328 0.00000
178 -0.0927 0.00000
179 0.0247 0.00000
180 -0.0107 0.00000
181 0.0198 0.00000
182 -0.1083 0.00000
183 0.0885 0.00000
184 0.0500 0.00000
185 0.0764 0.00000
186 0.0529 0.00000
187 -0.0129 0.00000
188 -0.0360 0.00000
189 0.0320 0.00000
190 0.3490 0.00000
191 -0.0734 0.00000
192 -0.3057 0.00000
193 -0.2000 0.00000
194 -0.2159 0.00000
195 -0.0779 0.00000
196 -0.0089 0.00000
197 0.0416 0.00000
198 -0.0551 0.00000
199 -0.0473 0.00000
200 -0.0688 0.00000
201 0.1646 0.00000
202 -0.0716 0.00000
203 0.2082 0.00000
204 -0.3113 0.00000
205 0.1300 0.00000
206 -0.2972 0.00000
207 -0.3141 0.00000
208 -0.0700 0.00000
209 -0.9390 0.00000
210 -0.1365 0.00000
211 0.0494 0.00000
212 -0.0499 0.00000
213 -0.3184 0.00000
214 -0.0730 0.00000
215 -0.1416 0.00000
216 -0.0460 0.00000
217 -0.0367 0.00000
218 -0.0558 0.00000
219 0.2955 0.00000
220 0.1839 0.00000
221 0.6363 0.00000
222 -0.1468 0.00000
223 -0.0735 0.00000
224 0.1350 0.00000
225 -0.1699 0.00000
226 -0.2458 0.00000
227 -0.0382 0.00000
228 -0.1014 0.00000
229 -0.2286 0.00000
230 -0.0564 0.00000
231 0.0912 0.00000
232 -0.0445 0.00000
233 -0.0413 0.00000
234 0.0231 0.00000
235 0.0823 0.00000
236 0.0192 0.00000
237 0.0462 0.00000
238 0.0639 0.00000
239 -0.0130 0.00000
240 0.0957 0.00000
241 0.0776 0.00000
242 0.1162 0.00000
243 0.0403 0.00000
244 -0.0081 0.00000
245 -0.0036 0.00000
246 0.1676 0.00000
247 -0.0471 0.00000
248 0.2305 0.00000
249 0.1412 0.00000
250 0.1736 0.00000
251 0.0531 0.00000
252 0.0658 0.00000
253 0.0351 0.00000
254 -0.0161 0.00000
255 -0.0191 0.00000
256 0.2153 0.00000
257 0.0182 0.00000
258 -0.0230 0.00000
259 0.0680 0.00000
260 0.1078 0.00000
261 0.0226 0.00000
262 0.0297 0.00000
263 -0.0086 0.00000
264 0.0223 0.00000
265 0.0157 0.00000
266 0.0124 0.00000
267 0.0414 0.00000
268 -0.0110 0.00000
269 0.0044 0.00000
270 0.0711 0.00000
271 0.0273 0.00000
272 0.0803 0.00000
273 0.0609 0.00000
274 0.0679 0.00000
275 -0.0246 0.00000
276 0.0802 0.00000
277 0.0633 0.00000
278 0.0464 0.00000
279 0.0119 0.00000
280 0.1221 0.00000
281 -0.0088 0.00000
282 0.0552 0.00000
283 0.0528 0.00000
284 0.0489 0.00000
285 0.0485 0.00000
286 0.0224 0.00000
287 -0.0149 0.00000
288 0.0183 0.00000
289 0.0646 0.00000
290 0.1248 0.00000
291 0.0826 0.00000
292 0.0621 0.00000
293 0.0333 0.00000
294 0.0809 0.00000
295 0.0406 0.00000
296 0.0668 0.00000
297 0.0357 0.00000
298 0.0783 0.00000
299 0.1534 0.00000
300 -0.0027 0.00000
301 0.0492 0.00000
302 0.0903 0.00000
303 0.0717 0.00000
304 0.0789 0.00000
305 0.1096 0.00000
306 0.0439 0.00000
307 0.1844 0.00000
308 0.0041 0.00000
309 0.0894 0.00000
310 0.0320 0.00000
311 0.1457 0.00000
312 0.0357 0.00000
313 0.1129 0.00000
314 0.0936 0.00000
315 0.0385 0.00000
316 0.1122 0.00000
317 -0.0263 0.00000
318 0.0567 0.00000
319 0.1183 0.00000
320 0.0434 0.00000
321 0.1830 0.00000
322 0.1001 0.00000
323 -0.0069 0.00000
324 0.1395 0.00000
325 0.0171 0.00000
326 0.0204 0.00000
327 0.0293 0.00000
328 0.0298 0.00000
329 0.0312 0.00000
330 0.0666 0.00000
331 -0.0049 0.00000
332 -0.0208 0.00000
333 -0.0413 0.00000
334 0.0345 0.00000
335 -0.0813 0.00000
336 0.0095 0.00000
337 0.0196 0.00000
338 0.1573 0.00000
339 -0.0183 0.00000
340 0.0293 0.00000
341 -0.0485 0.00000
342 0.0271 0.00000
343 0.0449 0.00000
344 -0.0546 0.00000
345 0.0205 0.00000
346 0.0431 0.00000
347 0.0001 0.00000
348 0.0598 0.00000
349 -0.1140 0.00000
350 -0.0196 0.00000
351 0.0332 0.00000
352 -0.0553 0.00000
353 -0.1311 0.00000
354 -0.0829 0.00000
355 0.0556 0.00000
356 0.0200 0.00000
357 0.0375 0.00000
358 0.0124 0.00000
359 -0.0589 0.00000
360 -0.0334 0.00000
361 -0.0098 0.00000
362 0.0702 0.00000
363 0.1157 0.00000
364 -0.0728 0.00000
365 0.0196 0.00000
366 -0.1520 0.00000
367 -0.0027 0.00000
368 -0.0097 0.00000
369 -0.0200 0.00000
370 -0.0519 0.00000
371 -0.1173 0.00000
372 -0.0375 0.00000
373 0.0283 0.00000
374 0.0278 0.00000
375 -0.0438 0.00000
376 -0.1057 0.00000
377 -0.0273 0.00000
378 -0.0232 0.00000
379 -0.0856 0.00000
380 -0.0052 0.00000
381 -0.0268 0.00000
382 0.0367 0.00000
383 0.0958 0.00000
384 -0.1211 0.00000
385 -0.0764 0.00000
386 0.0131 0.00000
387 -0.0665 0.00000
388 -0.0788 0.00000
389 0.1036 0.00000
390 -0.1190 0.00000
391 -0.0432 0.00000
392 0.0036 0.00000
393 0.1580 0.00000
394 0.0967 0.00000
395 -0.0176 0.00000
396 -0.1151 0.00000
397 -0.2047 0.00000
398 -0.0358 0.00000
399 -0.2388 0.00000
400 -0.0329 0.00000
401 -0.0474 0.00000
402 -0.1372 0.00000
403 0.0518 0.00000
404 -0.1605 0.00000
405 -0.0205 0.00000
406 -0.0929 0.00000
407 -0.0128 0.00000
408 -0.1370 0.00000
409 -0.0958 0.00000
410 0.0160 0.00000
411 -0.2327 0.00000
412 -0.3226 0.00000
413 0.0570 0.00000
414 -0.0494 0.00000
415 0.1509 0.00000
416 -0.0658 0.00000
417 -0.0320 0.00000
418 -0.1767 0.00000
419 0.1188 0.00000
420 -0.0179 0.00000
421 -0.0486 0.00000
422 -0.2273 0.00000
423 0.0130 0.00000
424 -0.1464 0.00000
425 0.1362 0.00000
426 -0.0467 0.00000
427 -0.0106 0.00000
428 -0.1338 0.00000
429 0.0663 0.00000
430 0.0438 0.00000
431 -0.1092 0.00000
432 -0.0535 0.00000
433 -0.0157 0.00000
434 -0.0272 0.00000
435 -0.0105 0.00000
436 0.0115 0.00000
437 -0.0076 0.00000
438 -0.0465 0.00000
439 -0.0730 0.00000
440 -0.1257 0.00000
441 0.0235 0.00000
442 -0.0461 0.00000
443 0.0520 0.00000
444 -0.0253 0.00000
445 -0.0255 0.00000
446 -0.0533 0.00000
447 0.0802 0.00000
448 -0.0072 0.00000
449 -0.0105 0.00000
450 0.0439 0.00000
451 -0.1338 0.00000
452 0.0426 0.00000
453 -0.0407 0.00000
454 0.0296 0.00000
455 -0.0074 0.00000
456 -0.0220 0.00000
457 -0.0593 0.00000
458 0.0285 0.00000
459 -0.0060 0.00000
460 -0.0275 0.00000
461 -0.0929 0.00000
462 0.0579 0.00000
463 -0.0481 0.00000
464 -0.0289 0.00000
465 -0.0207 0.00000
466 -0.0165 0.00000
467 0.0741 0.00000
468 0.1136 0.00000
469 -0.0228 0.00000
470 0.0305 0.00000
471 0.0740 0.00000
472 0.0438 0.00000
473 0.0489 0.00000
474 0.0492 0.00000
475 0.0640 0.00000
476 -0.0950 0.00000
477 0.0426 0.00000
478 0.0866 0.00000
479 0.0560 0.00000
480 0.0495 0.00000
481 0.0204 0.00000
482 0.0651 0.00000
483 0.0130 0.00000
484 -0.0774 0.00000
485 -0.0535 0.00000
486 -0.0508 0.00000
487 -0.0454 0.00000
488 0.0675 0.00000
489 -0.0160 0.00000
490 0.0450 0.00000
491 0.0149 0.00000
492 0.1029 0.00000
493 0.0032 0.00000
494 -0.0730 0.00000
495 0.0301 0.00000
496 -0.0345 0.00000
497 -0.0556 0.00000
498 -0.1147 0.00000
499 0.0523 0.00000
500 -0.0640 0.00000
501 0.0083 0.00000
502 -0.0542 0.00000
503 -0.0542 0.00000
504 0.0203 0.00000
505 0.0774 0.00000
506 0.0206 0.00000
507 0.1000 0.00000
508 -0.0367 0.00000
509 0.0907 0.00000
510 0.0599 0.00000
511 -0.0071 0.00000
512 -0.0026 0.00000
513 0.2105 0.00000
514 0.0406 0.00000
515 0.0414 0.00000
516 -0.1127 0.00000
517 -0.0470 0.00000
518 0.0313 0.00000
519 -0.0220 0.00000
520 0.1020 0.00000
521 -0.0133 0.00000
522 -0.0945 0.00000
523 -0.1316 0.00000
524 -0.0538 0.00000
525 -0.0549 0.00000
526 -0.0839 0.00000
527 -0.0699 0.00000
528 -0.0937 0.00000
529 -0.1277 0.00000
530 0.0404 0.00000
531 0.0378 0.00000
532 -0.0112 0.00000
533 0.0470 0.00000
534 -0.2647 0.00000
535 -0.0738 0.00000
536 -0.1548 0.00000
537 -0.2450 0.00000
538 -0.1790 0.00000
539 -0.0090 0.00000
540 -0.0374 0.00000
541 -0.0277 0.00000
542 0.0362 0.00000
543 -0.1364 0.00000
544 -0.0285 0.00000
545 0.0212 0.00000
546 -0.0099 0.00000
547 -0.0937 0.00000
548 0.0408 0.00000
549 -0.0716 0.00000
550 -0.0781 0.00000
551 0.0175 0.00000
552 -0.0381 0.00000
553 -0.0616 0.00000
554 -0.0197 0.00000
555 -0.0308 0.00000
556 0.0705 0.00000
557 -0.0040 0.00000
558 0.0361 0.00000
559 0.0154 0.00000
560 0.0505 0.00000
561 0.0110 0.00000
562 -0.0211 0.00000
563 -0.0219 0.00000
564 0.0725 0.00000
565 0.0120 0.00000
566 0.0373 0.00000
567 -0.0065 0.00000
568 0.0123 0.00000
569 0.0040 0.00000
570 0.0430 0.00000
571 -0.0086 0.00000
572 0.0334 0.00000
573 -0.0217 0.00000
574 -0.0104 0.00000
575 0.0218 0.00000
576 0.0426 0.00000
577 0.0420 0.00000
578 -0.0036 0.00000
579 0.0421 0.00000
580 0.0201 0.00000
581 -0.0084 0.00000
582 0.0769 0.00000
583 -0.0601 0.00000
584 -0.0844 0.00000
585 -0.0869 0.00000
586 -0.0899 0.00000
587 0.0140 0.00000
588 -0.0857 0.00000
589 0.0466 0.00000
590 -0.0585 0.00000
591 -0.0504 0.00000
592 -0.0473 0.00000
593 -0.0370 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0816 0.00000
597 0.0868 0.00000
598 -0.0179 0.00000
599 -0.0522 0.00000
600 -0.1363 0.00000
601 -0.0527 0.00000
602 -0.0261 0.00000
603 -0.3250 0.00000
604 0.0488 0.00000
605 0.0576 0.00000
606 0.0407 0.00000
607 -0.0453 0.00000
608 0.0518 0.00000
609 0.0511 0.00000
610 0.0189 0.00000
611 -0.1202 0.00000
612 0.0329 0.00000
613 0.0402 0.00000
614 0.0628 0.00000
615 0.0766 0.00000
616 0.0235 0.00000
617 0.0578 0.00000
618 0.0093 0.00000
619 0.0495 0.00000
620 0.0186 0.00000
621 0.0865 0.00000
622 0.0828 0.00000
623 0.0105 0.00000
624 -0.0112 0.00000
625 -0.0232 0.00000
626 0.1022 0.00000
627 0.0139 0.00000
628 0.0267 0.00000
629 0.0640 0.00000
630 0.0662 0.00000
631 0.1198 0.00000
632 0.0463 0.00000
633 0.0207 0.00000
634 0.0452 0.00000
635 0.0345 0.00000
636 0.0316 0.00000
637 0.0561 0.00000
638 0.0560 0.00000
639 0.1246 0.00000
640 0.0013 0.00000
641 -0.0286 0.00000
642 0.0565 0.00000
643 0.0687 0.00000
644 0.0515 0.00000
645 0.0105 0.00000
646 0.0085 0.00000
647 -0.0315 0.00000
648 -0.0028 0.00000
649 0.0037 0.00000
650 -0.0166 0.00000
651 0.0258 0.00000
652 0.0912 0.00000
653 -0.0150 0.00000
654 0.0145 0.00000
655 0.0745 0.00000
656 -0.0349 0.00000
657 0.0599 0.00000
658 -0.0098 0.00000
659 0.0484 0.00000
660 0.0342 0.00000
661 -0.0270 0.00000
662 0.0271 0.00000
663 -0.0282 0.00000
664 0.0204 0.00000
665 0.0123 0.00000
666 0.0463 0.00000
667 -0.0282 0.00000
668 0.0036 0.00000
669 0.0208 0.00000
670 0.0222 0.00000
671 0.0343 0.00000
672 0.0029 0.00000
673 0.0106 0.00000
674 -0.0147 0.00000
675 0.0040 0.00000
676 0.0253 0.00000
677 0.0188 0.00000
678 0.0217 0.00000
679 -0.0188 0.00000
680 -0.0108 0.00000
681 -0.0381 0.00000
682 0.0166 0.00000
683 0.0401 0.00000
684 -0.0249 0.00000
685 0.0291 0.00000
686 0.0427 0.00000
687 -0.0461 0.00000
688 -0.0076 0.00000
689 -0.0335 0.00000
690 0.0373 0.00000
691 -0.0609 0.00000
692 0.0406 0.00000
693 -0.0180 0.00000
694 0.0208 0.00000
695 -0.0180 0.00000
696 0.0399 0.00000
697 0.0043 0.00000
698 0.0064 0.00000
699 0.0391 0.00000
700 0.0219 0.00000
701 0.0060 0.00000
702 -0.0048 0.00000
703 -0.0038 0.00000
704 -0.0447 0.00000
705 -0.0080 0.00000
706 0.0207 0.00000
707 0.0368 0.00000
708 -0.0395 0.00000
709 0.0502 0.00000
710 -0.0140 0.00000
711 0.0283 0.00000
712 0.0067 0.00000
713 0.0393 0.00000
714 -0.0348 0.00000
715 0.0298 0.00000
716 -0.0067 0.00000
717 0.0042 0.00000
718 0.0128 0.00000
719 0.0249 0.00000
720 -0.0251 0.00000
721 0.0221 0.00000
722 0.0075 0.00000
723 -0.0164 0.00000
724 0.0493 0.00000
725 0.0119 0.00000
726 -0.0155 0.00000
727 0.0099 0.00000
728 -0.0055 0.00000
729 0.0322 0.00000
730 0.0078 0.00000
731 0.0033 0.00000
732 -0.0356 0.00000
733 0.0091 0.00000
734 -0.0061 0.00000
735 -0.0312 0.00000
736 0.0181 0.00000
737 0.0714 0.00000
738 0.0252 0.00000
739 0.0321 0.00000
740 0.0197 0.00000
741 0.0401 0.00000
742 0.0070 0.00000
743 0.0258 0.00000
744 0.0079 0.00000
745 0.0091 0.00000
746 -0.0134 0.00000
747 -0.0573 0.00000
748 -0.0355 0.00000
749 -0.0147 0.00000
750 -0.0028 0.00000
751 -0.0266 0.00000
752 -0.0091 0.00000
753 -0.0361 0.00000
754 -0.0396 0.00000
755 0.0024 0.00000
756 0.0026 0.00000
757 -0.0009 0.00000
758 0.0429 0.00000
759 -0.0907 0.00000
760 -0.0459 0.00000
761 0.0052 0.00000
762 -0.0242 0.00000
763 0.0180 0.00000
764 0.0067 0.00000
765 0.0181 0.00000
766 -0.0136 0.00000
767 -0.0078 0.00000
768 0.0137 0.00000
769 0.0007 0.00000
770 -0.0067 0.00000
771 0.0385 0.00000
772 -0.1182 0.00000
773 -0.0392 0.00000
774 -0.0194 0.00000
775 0.0308 0.00000
776 0.0209 0.00000
777 0.0459 0.00000
778 -0.0027 0.00000
779 0.0333 0.00000
780 -0.0130 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0676 0.00000
4 -0.0818 0.00000
5 -0.6581 0.00000
6 -0.0890 0.00000
7 -0.0351 0.00000
8 -0.1727 0.00000
9 0.4613 0.00000
10 0.1269 0.00000
11 0.0210 0.00000
12 -0.0385 0.00000
13 -0.0336 0.00000
14 0.0383 0.00000
15 0.0537 0.00000
16 0.1307 0.00000
17 -0.3301 0.00000
18 -0.4434 0.00000
19 0.0051 0.00000
20 0.0311 0.00000
21 -0.0621 0.00000
22 0.3182 0.00000
23 -0.0564 0.00000
24 0.1046 0.00000
25 0.4912 0.00000
26 0.0766 0.00000
27 0.1212 0.00000
28 -0.2142 0.00000
29 0.0885 0.00000
30 0.0533 0.00000
31 0.2337 0.00000
32 0.1438 0.00000
33 -0.0033 0.00000
34 -0.0059 0.00000
35 -0.0669 0.00000
36 0.2953 0.00000
37 -0.0164 0.00000
38 -0.3384 0.00000
39 0.1237 0.00000
40 0.2224 0.00000
41 -0.3842 0.00000
42 0.0818 0.00000
43 0.0793 0.00000
44 0.3649 0.00000
45 0.0996 0.00000
46 0.0770 0.00000
47 0.0365 0.00000
48 0.3328 0.00000
49 0.0386 0.00000
50 -0.0465 0.00000
51 0.0968 0.00000
52 -0.3063 0.00000
53 -0.0549 0.00000
54 -0.0929 0.00000
55 0.0313 0.00000
56 0.4147 0.00000
57 0.0038 0.00000
58 -0.3020 0.00000
59 -1.3831 0.00000
60 -0.1216 0.00000
61 -0.1164 0.00000
62 0.2035 0.00000
63 -0.0199 0.00000
64 0.1377 0.00000
65 -0.5206 0.00000
66 -0.3132 0.00000
67 -1.1918 0.00000
68 0.2121 0.00000
69 -0.1533 0.00000
70 -0.1734 0.00000
71 -0.1595 0.00000
72 -0.1188 0.00000
73 -0.1978 0.00000
74 -0.1918 0.00000
75 -0.0665 0.00000
76 0.0078 0.00000
77 -0.0621 0.00000
78 -0.2705 0.00000
79 -0.0020 0.00000
80 -0.0315 0.00000
81 0.0207 0.00000
82 0.0736 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0869 0.00000
90 0.0635 0.00000
91 0.0611 0.00000
92 0.0954 0.00000
93 0.0207 0.00000
94 -0.0304 0.00000
95 0.1015 0.00000
96 0.0887 0.00000
97 0.0035 0.00000
98 0.1025 0.00000
99 0.2017 0.00000
100 -0.0335 0.00000
101 0.0474 0.00000
102 0.2843 0.00000
103 -0.0535 0.00000
104 0.1464 0.00000
105 0.0945 0.00000
106 0.0101 0.00000
107 0.0982 0.00000
108 0.0868 0.00000
109 0.0979 0.00000
110 0.0698 0.00000
111 0.1361 0.00000
112 0.1067 0.00000
113 0.0987 0.00000
114 0.0249 0.00000
115 0.0238 0.00000
116 0.0110 0.00000
117 -0.0119 0.00000
118 0.0318 0.00000
119 -0.0788 0.00000
120 -0.0540 0.00000
121 0.1530 0.00000
122 0.0914 0.00000
123 0.0898 0.00000
124 0.1373 0.00000
125 0.0916 0.00000
126 0.0333 0.00000
127 -0.0420 0.00000
128 -0.0617 0.00000
129 0.1107 0.00000
130 0.0514 0.00000
131 0.1652 0.00000
132 -0.0246 0.00000
133 -0.0788 0.00000
134 0.0711 0.00000
135 -0.1112 0.00000
136 0.0303 0.00000
137 -0.0088 0.00000
138 -0.0186 0.00000
139 0.0672 0.00000
140 -0.0303 0.00000
141 0.0349 0.00000
142 -0.0776 0.00000
143 0.0131 0.00000
144 -0.0632 0.00000
145 -0.0875 0.00000
146 -0.0694 0.00000
147 -0.0707 0.00000
148 0.0899 0.00000
149 -1.1619 0.00000
150 0.1237 0.00000
151 0.0109 0.00000
152 0.0399 0.00000
153 0.1510 0.00000
154 -0.0192 0.00000
155 -0.1849 0.00000
156 -0.2365 0.00000
157 -0.0484 0.00000
158 0.0435 0.00000
159 0.1568 0.00000
160 0.1467 0.00000
161 -0.0974 0.00000
162 -0.0188 0.00000
163 0.2507 0.00000
164 0.1978 0.00000
165 0.0490 0.00000
166 -0.0568 0.00000
167 0.0185 0.00000
168 -0.0129 0.00000
169 0.0084 0.00000
170 -0.0245 0.00000
171 -0.0554 0.00000
172 -0.0433 0.00000
173 0.0695 0.00000
174 -0.0188 0.00000
175 -0.0143 0.00000
176 0.0758 0.00000
177 -0.1632 0.00000
178 0.1080 0.00000
179 -0.0146 0.00000
180 -0.0252 0.00000
181 0.0379 0.00000
182 0.0500 0.00000
183 -0.0145 0.00000
184 0.0664 0.00000
185 0.0441 0.00000
186 -0.0084 0.00000
187 0.1260 0.00000
188 0.1990 0.00000
189 -0.1395 0.00000
190 -0.1111 0.00000
191 0.0166 0.00000
192 -0.2136 0.00000
193 -0.2596 0.00000
194 -0.0235 0.00000
195 0.0783 0.00000
196 -0.0587 0.00000
197 0.1416 0.00000
198 0.0618 0.00000
199 -0.0480 0.00000
200 -0.3000 0.00000
201 0.0837 0.00000
202 0.1888 0.00000
203 0.0427 0.00000
204 0.1546 0.00000
205 -0.1289 0.00000
206 -0.2966 0.00000
207 -0.9710 0.00000
208 -0.6109 0.00000
209 -0.2596 0.00000
210 0.2301 0.00000
211 -0.2077 0.00000
212 0.0598 0.00000
213 -0.0522 0.00000
214 -0.1146 0.00000
215 0.0595 0.00000
216 -0.1798 0.00000
217 -0.4051 0.00000
218 -0.0919 0.00000
219 0.3192 0.00000
220 -0.0522 0.00000
221 0.8363 0.00000
222 -0.0461 0.00000
223 0.0460 0.00000
224 0.0369 0.00000
225 -0.0404 0.00000
226 -0.3164 0.00000
227 -0.0770 0.00000
228 -0.1132 0.00000
229 -0.2260 0.00000
230 -0.0680 0.00000
231 0.0936 0.00000
232 -0.0418 0.00000
233 -0.0435 0.00000
234 0.0221 0.00000
235 0.0828 0.00000
236 0.0131 0.00000
237 0.0460 0.00000
238 0.0750 0.00000
239 0.0423 0.00000
240 0.0527 0.00000
241 0.0631 0.00000
242 0.0512 0.00000
243 -0.0059 0.00000
244 -0.0500 0.00000
245 0.1654 0.00000
246 0.0412 0.00000
247 0.0506 0.00000
248 0.3963 0.00000
249 0.0680 0.00000
250 0.1024 0.00000
251 0.0163 0.00000
252 0.0218 0.00000
253 0.0706 0.00000
254 0.0136 0.00000
255 0.0710 0.00000
256 0.1086 0.00000
257 -0.0245 0.00000
258 0.1661 0.00000
259 -0.0414 0.00000
260 0.0340 0.00000
261 0.0178 0.00000
262 0.0523 0.00000
263 0.0332 0.00000
264 0.0343 0.00000
265 -0.0092 0.00000
266 0.0612 0.00000
267 -0.0186 0.00000
268 0.0632 0.00000
269 -0.0231 0.00000
270 0.0482 0.00000
271 -0.0347 0.00000
272 0.0187 0.00000
273 0.1283 0.00000
274 0.0506 0.00000
275 0.1428 0.00000
276 0.0869 0.00000
277 -0.0221 0.00000
278 0.0161 0.00000
279 0.1431 0.00000
280 0.0172 0.00000
281 -0.0004 0.00000
282 0.0590 0.00000
283 0.0063 0.00000
284 0.0275 0.00000
285 -0.0222 0.00000
286 0.0949 0.00000
287 0.0701 0.00000
288 0.0372 0.00000
289 0.0296 0.00000
290 0.0858 0.00000
291 0.0752 0.00000
292 0.0876 0.00000
293 0.0476 0.00000
294 0.0923 0.00000
295 0.0197 0.00000
296 0.0888 0.00000
297 0.0363 0.00000
298 0.0429 0.00000
299 0.1531 0.00000
300 0.0400 0.00000
301 0.0589 0.00000
302 0.0676 0.00000
303 0.1074 0.00000
304 0.0057 0.00000
305 0.0794 0.00000
306 0.1203 0.00000
307 0.1038 0.00000
308 0.0740 0.00000
309 0.0024 0.00000
310 0.1065 0.00000
311 0.0151 0.00000
312 0.1595 0.00000
313 0.0651 0.00000
314 0.0138 0.00000
315 0.1367 0.00000
316 0.0164 0.00000
317 0.0304 0.00000
318 0.1659 0.00000
319 0.0889 0.00000
320 0.0599 0.00000
321 0.0960 0.00000
322 0.0795 0.00000
323 0.0893 0.00000
324 0.0973 0.00000
325 0.0205 0.00000
326 0.1450 0.00000
327 0.0163 0.00000
328 -0.0030 0.00000
329 0.0150 0.00000
330 -0.0040 0.00000
331 -0.0123 0.00000
332 0.0474 0.00000
333 0.0199 0.00000
334 -0.0060 0.00000
335 0.0439 0.00000
336 -0.0663 0.00000
337 0.1309 0.00000
338 -0.0941 0.00000
339 0.0237 0.00000
340 0.0004 0.00000
341 -0.0062 0.00000
342 0.0364 0.00000
343 -0.0338 0.00000
344 0.0145 0.00000
345 0.0876 0.00000
346 -0.0164 0.00000
347 -0.0201 0.00000
348 0.0813 0.00000
349 0.0198 0.00000
350 -0.0361 0.00000
351 -0.0197 0.00000
352 -0.1557 0.00000
353 -0.1018 0.00000
354 0.0053 0.00000
355 -0.1013 0.00000
356 0.0403 0.00000
357 0.0010 0.00000
358 0.0033 0.00000
359 0.1282 0.00000
360 -0.0370 0.00000
361 -0.0737 0.00000
362 0.0842 0.00000
363 0.0602 0.00000
364 -0.1366 0.00000
365 -0.1982 0.00000
366 -0.0843 0.00000
367 -0.0139 0.00000
368 -0.0222 0.00000
369 0.0012 0.00000
370 -0.0700 0.00000
371 0.0187 0.00000
372 0.1339 0.00000
373 -0.0480 0.00000
374 -0.0789 0.00000
375 0.0302 0.00000
376 -0.0661 0.00000
377 -0.0957 0.00000
378 0.0981 0.00000
379 -0.1691 0.00000
380 -0.0223 0.00000
381 -0.0063 0.00000
382 -0.0444 0.00000
383 -0.0599 0.00000
384 0.0790 0.00000
385 0.0122 0.00000
386 0.0069 0.00000
387 0.1080 0.00000
388 -0.0620 0.00000
389 -0.1338 0.00000
390 0.0727 0.00000
391 -0.0943 0.00000
392 -0.0195 0.00000
393 0.0169 0.00000
394 -0.0445 0.00000
395 0.0141 0.00000
396 -0.1313 0.00000
397 -0.0498 0.00000
398 0.0213 0.00000
399 -0.0839 0.00000
400 -0.0986 0.00000
401 -0.1516 0.00000
402 -0.0130 0.00000
403 0.0206 0.00000
404 -0.0120 0.00000
405 -0.0198 0.00000
406 0.0970 0.00000
407 -0.0765 0.00000
408 -0.0631 0.00000
409 -0.1067 0.00000
410 -0.7315 0.00000
411 -0.1157 0.00000
412 -0.0469 0.00000
413 -0.0183 0.00000
414 -0.1114 0.00000
415 -0.0143 0.00000
416 -0.1155 0.00000
417 -0.0583 0.00000
418 -0.0679 0.00000
419 -0.0523 0.00000
420 0.1099 0.00000
421 -0.0769 0.00000
422 0.1257 0.00000
423 0.0216 0.00000
424 -0.2586 0.00000
425 0.0036 0.00000
426 -0.0387 0.00000
427 0.0825 0.00000
428 -0.0590 0.00000
429 -0.0337 0.00000
430 -0.0056 0.00000
431 -0.1147 0.00000
432 -0.0154 0.00000
433 0.0143 0.00000
434 -0.0395 0.00000
435 -0.0964 0.00000
436 -0.0804 0.00000
437 0.0691 0.00000
438 -0.0001 0.00000
439 0.0998 0.00000
440 -0.0035 0.00000
441 -0.0235 0.00000
442 0.0322 0.00000
443 -0.0062 0.00000
444 -0.0343 0.00000
445 -0.0502 0.00000
446 -0.0596 0.00000
447 -0.0540 0.00000
448 0.0391 0.00000
449 -0.0588 0.00000
450 -0.0029 0.00000
451 -0.0524 0.00000
452 -0.1655 0.00000
453 0.1544 0.00000
454 -0.0314 0.00000
455 0.0112 0.00000
456 -0.0621 0.00000
457 -0.0624 0.00000
458 -0.0113 0.00000
459 0.0350 0.00000
460 -0.0306 0.00000
461 0.0153 0.00000
462 0.0577 0.00000
463 -0.0311 0.00000
464 0.0772 0.00000
465 0.0095 0.00000
466 -0.0081 0.00000
467 -0.0203 0.00000
468 -0.0049 0.00000
469 0.0878 0.00000
470 -0.0361 0.00000
471 -0.0253 0.00000
472 0.0414 0.00000
473 0.0681 0.00000
474 0.1152 0.00000
475 -0.0008 0.00000
476 -0.0556 0.00000
477 0.0639 0.00000
478 -0.0104 0.00000
479 -0.0836 0.00000
480 -0.0006 0.00000
481 0.0883 0.00000
482 0.0570 0.00000
483 -0.0682 0.00000
484 -0.0125 0.00000
485 0.0131 0.00000
486 0.0847 0.00000
487 0.0058 0.00000
488 0.0305 0.00000
489 0.0400 0.00000
490 -0.0339 0.00000
491 0.0556 0.00000
492 -0.0424 0.00000
493 0.0593 0.00000
494 0.0176 0.00000
495 0.0477 0.00000
496 0.0244 0.00000
497 -0.1022 0.00000
498 -0.0351 0.00000
499 -0.0375 0.00000
500 0.0534 0.00000
501 -0.0206 0.00000
502 0.0190 0.00000
503 0.0674 0.00000
504 -0.0018 0.00000
505 -0.0116 0.00000
506 -0.0194 0.00000
507 0.0223 0.00000
508 -0.0210 0.00000
509 0.1581 0.00000
510 -0.0814 0.00000
511 -0.0037 0.00000
512 0.0058 0.00000
513 0.1412 0.00000
514 0.1116 0.00000
515 -0.0018 0.00000
516 -0.1020 0.00000
517 0.0574 0.00000
518 -0.0586 0.00000
519 -0.0153 0.00000
520 0.0147 0.00000
521 -0.0488 0.00000
522 -0.0306 0.00000
523 -0.0029 0.00000
524 -0.0911 0.00000
525 -0.1601 0.00000
526 -0.0340 0.00000
527 0.0324 0.00000
528 -0.0560 0.00000
529 -0.0474 0.00000
530 -0.0661 0.00000
531 -0.2957 0.00000
532 0.0018 0.00000
533 -0.0519 0.00000
534 -0.0579 0.00000
535 -0.0370 0.00000
536 -0.1570 0.00000
537 -0.1364 0.00000
538 -0.0401 0.00000
539 -0.1019 0.00000
540 -0.0088 0.00000
541 -0.1379 0.00000
542 -0.1440 0.00000
543 0.0244 0.00000
544 -0.0290 0.00000
545 -0.1198 0.00000
546 -0.0909 0.00000
547 0.0494 0.00000
548 -0.0410 0.00000
549 0.0091 0.00000
550 0.0272 0.00000
551 -0.0276 0.00000
552 0.0221 0.00000
553 -0.0011 0.00000
554 -0.0490 0.00000
555 -0.0802 0.00000
556 0.0324 0.00000
557 0.0716 0.00000
558 -0.0180 0.00000
559 -0.0339 0.00000
560 0.0511 0.00000
561 -0.0290 0.00000
562 0.0759 0.00000
563 0.0048 0.00000
564 0.0318 0.00000
565 -0.0034 0.00000
566 0.0569 0.00000
567 0.0192 0.00000
568 0.0377 0.00000
569 -0.0347 0.00000
570 0.0176 0.00000
571 0.0010 0.00000
572 -0.0294 0.00000
573 0.0400 0.00000
574 0.0333 0.00000
575 0.0585 0.00000
576 0.0275 0.00000
577 0.0414 0.00000
578 -0.0003 0.00000
579 0.0196 0.00000
580 0.0759 0.00000
581 -0.0168 0.00000
582 -0.0550 0.00000
583 -0.0191 0.00000
584 -0.0906 0.00000
585 -0.0871 0.00000
586 -0.0792 0.00000
587 0.0090 0.00000
588 -0.0746 0.00000
589 0.0475 0.00000
590 -0.0570 0.00000
591 -0.0515 0.00000
592 -0.0509 0.00000
593 -0.0362 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0815 0.00000
597 0.0868 0.00000
598 -0.0290 0.00000
599 0.0379 0.00000
600 -0.3427 0.00000
601 -0.1374 0.00000
602 0.0066 0.00000
603 0.0779 0.00000
604 0.0020 0.00000
605 0.0409 0.00000
606 -0.0766 0.00000
607 0.0064 0.00000
608 -0.0717 0.00000
609 0.0468 0.00000
610 0.0312 0.00000
611 -0.0591 0.00000
612 0.0455 0.00000
613 0.0689 0.00000
614 0.0768 0.00000
615 0.0025 0.00000
616 -0.0322 0.00000
617 -0.0475 0.00000
618 0.1481 0.00000
619 0.0215 0.00000
620 0.0350 0.00000
621 0.0429 0.00000
622 0.0266 0.00000
623 0.0050 0.00000
624 0.0843 0.00000
625 0.0486 0.00000
626 -0.0075 0.00000
627 0.1056 0.00000
628 0.0314 0.00000
629 0.0861 0.00000
630 0.0519 0.00000
631 0.0630 0.00000
632 0.0521 0.00000
633 0.0818 0.00000
634 0.0300 0.00000
635 0.0564 0.00000
636 0.0261 0.00000
637 -0.0465 0.00000
638 0.0132 0.00000
639 0.0068 0.00000
640 0.0641 0.00000
641 0.0709 0.00000
642 0.0735 0.00000
643 0.0271 0.00000
644 0.0699 0.00000
645 0.0445 0.00000
646 0.0101 0.00000
647 0.0185 0.00000
648 -0.0145 0.00000
649 -0.0027 0.00000
650 0.0089 0.00000
651 0.0295 0.00000
652 -0.0091 0.00000
653 0.0343 0.00000
654 0.0518 0.00000
655 -0.0059 0.00000
656 -0.0140 0.00000
657 0.0040 0.00000
658 -0.0278 0.00000
659 0.0047 0.00000
660 0.0135 0.00000
661 0.0104 0.00000
662 -0.0135 0.00000
663 0.0297 0.00000
664 -0.0193 0.00000
665 0.0622 0.00000
666 0.0598 0.00000
667 0.0159 0.00000
668 0.0219 0.00000
669 0.0261 0.00000
670 0.0152 0.00000
671 0.0502 0.00000
672 0.0057 0.00000
673 0.0148 0.00000
674 0.0081 0.00000
675 0.0520 0.00000
676 0.0198 0.00000
677 0.0638 0.00000
678 0.0141 0.00000
679 0.0201 0.00000
680 -0.0557 0.00000
681 -0.0102 0.00000
682 0.0115 0.00000
683 -0.0005 0.00000
684 -0.0001 0.00000
685 0.0423 0.00000
686 0.0233 0.00000
687 0.0333 0.00000
688 -0.0312 0.00000
689 -0.0134 0.00000
690 0.0582 0.00000
691 0.0163 0.00000
692 0.0141 0.00000
693 0.0333 0.00000
694 -0.0157 0.00000
695 -0.0793 0.00000
696 -0.0089 0.00000
697 0.0206 0.00000
698 -0.0201 0.00000
699 -0.0095 0.00000
700 -0.0188 0.00000
701 0.0151 0.00000
702 -0.0202 0.00000
703 -0.0566 0.00000
704 0.0414 0.00000
705 -0.0056 0.00000
706 0.0090 0.00000
707 -0.0723 0.00000
708 0.0157 0.00000
709 0.0502 0.00000
710 -0.0633 0.00000
711 -0.0131 0.00000
712 0.0026 0.00000
713 0.0247 0.00000
714 0.0617 0.00000
715 -0.0101 0.00000
716 0.0170 0.00000
717 0.0547 0.00000
718 -0.0448 0.00000
719 -0.0193 0.00000
720 -0.0027 0.00000
721 0.0380 0.00000
722 0.0316 0.00000
723 -0.0177 0.00000
724 -0.0752 0.00000
725 0.0908 0.00000
726 0.0055 0.00000
727 -0.0021 0.00000
728 -0.0008 0.00000
729 -0.0013 0.00000
730 0.0083 0.00000
731 0.0213 0.00000
732 -0.0237 0.00000
733 0.0060 0.00000
734 -0.0322 0.00000
735 0.0490 0.00000
736 0.0048 0.00000
737 -0.0241 0.00000
738 -0.0086 0.00000
739 0.0533 0.00000
740 0.0119 0.00000
741 -0.0154 0.00000
742 0.0465 0.00000
743 0.0317 0.00000
744 -0.0667 0.00000
745 -0.0170 0.00000
746 -0.0820 0.00000
747 0.0469 0.00000
748 -0.0210 0.00000
749 -0.0032 0.00000
750 0.0209 0.00000
751 0.0514 0.00000
752 0.0452 0.00000
753 -0.0201 0.00000
754 -0.0289 0.00000
755 0.0368 0.00000
756 -0.0307 0.00000
757 -0.0221 0.00000
758 0.0059 0.00000
759 -0.0451 0.00000
760 -0.0381 0.00000
761 0.0278 0.00000
762 -0.0174 0.00000
763 0.0295 0.00000
764 0.0443 0.00000
765 -0.0089 0.00000
766 0.0287 0.00000
767 0.0452 0.00000
768 0.0449 0.00000
769 -0.1002 0.00000
770 0.0068 0.00000
771 -0.0316 0.00000
772 -0.0036 0.00000
773 0.0074 0.00000
774 -0.0311 0.00000
775 0.0137 0.00000
776 -0.0179 0.00000
777 -0.0259 0.00000
778 -0.0423 0.00000
779 -0.0123 0.00000
780 -0.0112 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0677 0.00000
4 -0.0928 0.00000
5 -0.6478 0.00000
6 -0.0877 0.00000
7 -0.0360 0.00000
8 -0.1711 0.00000
9 0.4549 0.00000
10 0.1300 0.00000
11 0.0237 0.00000
12 -0.0386 0.00000
13 -0.0338 0.00000
14 0.0382 0.00000
15 0.0580 0.00000
16 0.0983 0.00000
17 -0.4147 0.00000
18 -0.3039 0.00000
19 -0.0098 0.00000
20 0.0216 0.00000
21 -0.0626 0.00000
22 0.3115 0.00000
23 -0.0877 0.00000
24 0.0804 0.00000
25 0.5518 0.00000
26 0.1638 0.00000
27 0.0997 0.00000
28 0.0039 0.00000
29 -0.1249 0.00000
30 0.0126 0.00000
31 0.2016 0.00000
32 0.1188 0.00000
33 -0.0188 0.00000
34 0.0024 0.00000
35 -0.0710 0.00000
36 0.3360 0.00000
37 0.0167 0.00000
38 -0.3398 0.00000
39 0.1251 0.00000
40 0.0990 0.00000
41 -0.2250 0.00000
42 0.0864 0.00000
43 0.0807 0.00000
44 0.1868 0.00000
45 0.1841 0.00000
46 0.0773 0.00000
47 0.0309 0.00000
48 0.1970 0.00000
49 0.1797 0.00000
50 0.0911 0.00000
51 0.0180 0.00000
52 -0.3335 0.00000
53 -0.0305 0.00000
54 -0.0270 0.00000
55 -0.0787 0.00000
56 0.4010 0.00000
57 0.0022 0.00000
58 -0.3983 0.00000
59 -1.0065 0.00000
60 -0.1619 0.00000
61 0.1668 0.00000
62 0.0927 0.00000
63 -0.1283 0.00000
64 -0.6695 0.00000
65 -0.6294 0.00000
66 -0.0649 0.00000
67 -0.8038 0.00000
68 0.2452 0.00000
69 -0.1354 0.00000
70 -0.1953 0.00000
71 -0.1576 0.00000
72 -0.1197 0.00000
73 -0.2819 0.00000
74 -0.1575 0.00000
75 -0.0530 0.00000
76 -0.0025 0.00000
77 -0.0563 0.00000
78 -0.2868 0.00000
79 0.0188 0.00000
80 -0.0311 0.00000
81 0.0207 0.00000
82 0.0744 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0880 0.00000
90 0.0613 0.00000
91 0.0769 0.00000
92 0.0805 0.00000
93 0.0243 0.00000
94 -0.0353 0.00000
95 0.0999 0.00000
96 0.0972 0.00000
97 -0.0198 0.00000
98 0.0615 0.00000
99 0.1930 0.00000
100 0.0740 0.00000
101 0.0321 0.00000
102 0.2505 0.00000
103 -0.0121 0.00000
104 0.1086 0.00000
105 0.0994 0.00000
106 0.0061 0.00000
107 0.0349 0.00000
108 0.1526 0.00000
109 0.1144 0.00000
110 0.0723 0.00000
111 0.1046 0.00000
112 0.1547 0.00000
113 0.0296 0.00000
114 0.0963 0.00000
115 -0.0167 0.00000
116 0.0038 0.00000
117 -0.0031 0.00000
118 0.0389 0.00000
119 -0.0751 0.00000
120 -0.0904 0.00000
121 0.2220 0.00000
122 0.0457 0.00000
123 0.1260 0.00000
124 0.1088 0.00000
125 0.0887 0.00000
126 0.0429 0.00000
127 -0.0474 0.00000
128 -0.0598 0.00000
129 0.1190 0.00000
130 0.0251 0.00000
131 0.0860 0.00000
132 0.0325 0.00000
133 -0.0413 0.00000
134 0.0692 0.00000
135 -0.1092 0.00000
136 0.0351 0.00000
137 -0.0203 0.00000
138 -0.0155 0.00000
139 0.0653 0.00000
140 -0.0288 0.00000
141 0.0357 0.00000
142 -0.0756 0.00000
143 0.0122 0.00000
144 -0.0648 0.00000
145 -0.0885 0.00000
146 -0.0669 0.00000
147 -0.0711 0.00000
148 0.0630 0.00000
149 -1.1467 0.00000
150 0.1284 0.00000
151 0.1337 0.00000
152 -0.0232 0.00000
153 -0.1782 0.00000
154 -0.0304 0.00000
155 0.1246 0.00000
156 0.0589 0.00000
157 -0.1522 0.00000
158 -0.0133 0.00000
159 0.0873 0.00000
160 0.0153 0.00000
161 0.1979 0.00000
162 0.1876 0.00000
163 -0.3447 0.00000
164 0.1302 0.00000
165 -0.0161 0.00000
166 -0.0270 0.00000
167 0.1879 0.00000
168 -0.0851 0.00000
169 -0.0259 0.00000
170 0.0000 0.00000
171 -0.0041 0.00000
172 0.1175 0.00000
173 -0.0129 0.00000
174 -0.0575 0.00000
175 0.0804 0.00000
176 0.0489 0.00000
177 0.0444 0.00000
178 -0.0166 0.00000
179 -0.0116 0.00000
180 -0.0820 0.00000
181 0.0209 0.00000
182 -0.0898 0.00000
183 0.0496 0.00000
184 0.0816 0.00000
185 0.0838 0.00000
186 0.0803 0.00000
187 0.0183 0.00000
188 0.1990 0.00000
189 -0.0261 0.00000
190 -0.1943 0.00000
191 -0.0601 0.00000
192 0.0098 0.00000
193 0.1471 0.00000
194 -0.2517 0.00000
195 -0.3433 0.00000
196 -0.0915 0.00000
197 0.0498 0.00000
198 0.0517 0.00000
199 -0.0499 0.00000
200 0.0499 0.00000
201 0.0437 0.00000
202 -0.0114 0.00000
203 -0.0158 0.00000
204 0.2773 0.00000
205 -0.2196 0.00000
206 -0.5317 0.00000
207 -0.8400 0.00000
208 -0.1989 0.00000
209 -0.1854 0.00000
210 0.0595 0.00000
211 0.0309 0.00000
212 -0.1186 0.00000
213 -0.3391 0.00000
214 -0.0985 0.00000
215 -0.1569 0.00000
216 -0.1783 0.00000
217 0.0330 0.00000
218 0.1150 0.00000
219 -0.2907 0.00000
220 0.0703 0.00000
221 0.9659 0.00000
222 0.1040 0.00000
223 -0.1038 0.00000
224 0.1172 0.00000
225 -0.1485 0.00000
226 -0.2905 0.00000
227 -0.0341 0.00000
228 -0.1021 0.00000
229 -0.2223 0.00000
230 -0.0542 0.00000
231 0.0921 0.00000
232 -0.0446 0.00000
233 -0.0411 0.00000
234 0.0244 0.00000
235 0.0861 0.00000
236 -0.0067 0.00000
237 0.0432 0.00000
238 0.1034 0.00000
239 -0.0205 0.00000
240 0.1009 0.00000
241 0.0649 0.00000
242 0.1184 0.00000
243 0.0483 0.00000
244 0.0059 0.00000
245 -0.0261 0.00000
246 0.1288 0.00000
247 -0.0175 0.00000
248 0.2650 0.00000
249 0.1005 0.00000
250 0.1853 0.00000
251 0.0477 0.00000
252 0.0401 0.00000
253 0.0792 0.00000
254 0.0137 0.00000
255 -0.0151 0.00000
256 0.0523 0.00000
257 0.0374 0.00000
258 0.1326 0.00000
259 0.0095 0.00000
260 0.0617 0.00000
261 0.0616 0.00000
262 -0.0236 0.00000
263 0.0570 0.00000
264 0.0031 0.00000
265 0.0625 0.00000
266 0.0034 0.00000
267 0.0689 0.00000
268 -0.0181 0.00000
269 0.0158 0.00000
270 -0.0225 0.00000
271 0.0269 0.00000
272 0.0361 0.00000
273 0.1564 0.00000
274 0.0925 0.00000
275 0.0086 0.00000
276 0.0575 0.00000
277 0.0285 0.00000
278 -0.0065 0.00000
279 0.0670 0.00000
280 0.0418 0.00000
281 0.0864 0.00000
282 0.0138 0.00000
283 0.0665 0.00000
284 0.0376 0.00000
285 0.0339 0.00000
286 -0.0207 0.00000
287 0.0740 0.00000
288 0.0094 0.00000
289 0.0560 0.00000
290 0.1030 0.00000
291 0.0493 0.00000
292 0.1162 0.00000
293 0.0586 0.00000
294 0.0159 0.00000
295 0.0846 0.00000
296 0.0571 0.00000
297 0.0749 0.00000
298 0.0144 0.00000
299 0.1112 0.00000
300 0.0817 0.00000
301 0.0246 0.00000
302 0.0762 0.00000
303 0.1619 0.00000
304 0.0837 0.00000
305 -0.0114 0.00000
306 0.0374 0.00000
307 0.2376 0.00000
308 0.0321 0.00000
309 0.0666 0.00000
310 0.1328 0.00000
311 0.0385 0.00000
312 0.0183 0.00000
313 0.0253 0.00000
314 0.1025 0.00000
315 0.1866 0.00000
316 0.1118 0.00000
317 -0.0432 0.00000
318 0.0368 0.00000
319 0.1879 0.00000
320 0.0569 0.00000
321 0.0744 0.00000
322 0.0993 0.00000
323 0.0435 0.00000
324 0.0853 0.00000
325 0.0306 0.00000
326 -0.0255 0.00000
327 0.1956 0.00000
328 0.0091 0.00000
329 -0.0110 0.00000
330 0.0688 0.00000
331 0.0018 0.00000
332 -0.0003 0.00000
333 0.0412 0.00000
334 -0.1342 0.00000
335 0.0091 0.00000
336 0.0655 0.00000
337 -0.0090 0.00000
338 0.0253 0.00000
339 -0.0081 0.00000
340 -0.0058 0.00000
341 -0.0118 0.00000
342 0.0382 0.00000
343 -0.0769 0.00000
344 0.0504 0.00000
345 0.0006 0.00000
346 0.0219 0.00000
347 0.0383 0.00000
348 0.0083 0.00000
349 -0.0216 0.00000
350 -0.0438 0.00000
351 -0.0683 0.00000
352 -0.1050 0.00000
353 0.0142 0.00000
354 -0.0088 0.00000
355 0.0226 0.00000
356 -0.0152 0.00000
357 0.0005 0.00000
358 0.0154 0.00000
359 0.0164 0.00000
360 0.0255 0.00000
361 0.0202 0.00000
362 -0.0632 0.00000
363 0.0497 0.00000
364 -0.0687 0.00000
365 -0.0685 0.00000
366 -0.0524 0.00000
367 0.0502 0.00000
368 -0.0254 0.00000
369 0.0024 0.00000
370 0.0149 0.00000
371 -0.0551 0.00000
372 0.0299 0.00000
373 -0.0709 0.00000
374 -0.0507 0.00000
375 -0.0918 0.00000
376 0.0685 0.00000
377 -0.1026 0.00000
378 -0.1308 0.00000
379 -0.1042 0.00000
380 0.0143 0.00000
381 0.0187 0.00000
382 -0.0087 0.00000
383 0.0058 0.00000
384 0.0973 0.00000
385 -0.1139 0.00000
386 -0.1318 0.00000
387 -0.0888 0.00000
388 -0.0314 0.00000
389 0.0116 0.00000
390 0.1470 0.00000
391 -0.0440 0.00000
392 0.0392 0.00000
393 0.1862 0.00000
394 -0.2557 0.00000
395 -0.0515 0.00000
396 0.0153 0.00000
397 0.0772 0.00000
398 -0.1563 0.00000
399 -0.1233 0.00000
400 0.0271 0.00000
401 -0.2689 0.00000
402 -0.1356 0.00000
403 -0.1491 0.00000
404 -0.1011 0.00000
405 0.0242 0.00000
406 -0.1539 0.00000
407 -0.0163 0.00000
408 -0.0450 0.00000
409 -0.1937 0.00000
410 0.0790 0.00000
411 -0.2779 0.00000
412 -0.0645 0.00000
413 0.0458 0.00000
414 -0.0850 0.00000
415 -0.1559 0.00000
416 -0.0439 0.00000
417 -0.0421 0.00000
418 0.0884 0.00000
419 -0.0236 0.00000
420 -0.0299 0.00000
421 0.1058 0.00000
422 -0.0728 0.00000
423 -0.0366 0.00000
424 -0.0320 0.00000
425 -0.1731 0.00000
426 0.1220 0.00000
427 -0.1017 0.00000
428 0.1733 0.00000
429 -0.1474 0.00000
430 -0.0539 0.00000
431 -0.1734 0.00000
432 -0.0304 0.00000
433 -0.0379 0.00000
434 -0.0544 0.00000
435 0.0003 0.00000
436 0.0150 0.00000
437 -0.0001 0.00000
438 -0.0262 0.00000
439 -0.0573 0.00000
440 0.0018 0.00000
441 0.0197 0.00000
442 -0.1473 0.00000
443 0.0303 0.00000
444 0.0582 0.00000
445 0.0383 0.00000
446 -0.1217 0.00000
447 -0.0287 0.00000
448 -0.0301 0.00000
449 -0.0007 0.00000
450 0.0237 0.00000
451 -0.0730 0.00000
452 0.0229 0.00000
453 -0.0282 0.00000
454 0.0351 0.00000
455 -0.0140 0.00000
456 -0.0010 0.00000
457 -0.0745 0.00000
458 0.0170 0.00000
459 -0.1128 0.00000
460 -0.0563 0.00000
461 0.0299 0.00000
462 0.0310 0.00000
463 0.0768 0.00000
464 -0.0859 0.00000
465 0.0618 0.00000
466 -0.0859 0.00000
467 0.0163 0.00000
468 0.0154 0.00000
469 0.0276 0.00000
470 0.0897 0.00000
471 -0.0074 0.00000
472 0.0380 0.00000
473 0.1267 0.00000
474 -0.0453 0.00000
475 0.0620 0.00000
476 0.0915 0.00000
477 -0.0363 0.00000
478 0.0285 0.00000
479 0.0303 0.00000
480 0.0128 0.00000
481 0.0994 0.00000
482 -0.0174 0.00000
483 0.0149 0.00000
484 0.0523 0.00000
485 -0.0205 0.00000
486 0.0467 0.00000
487 -0.0765 0.00000
488 0.0465 0.00000
489 -0.0103 0.00000
490 0.0820 0.00000
491 -0.0123 0.00000
492 -0.0214 0.00000
493 0.0164 0.00000
494 -0.0058 0.00000
495 -0.1264 0.00000
496 -0.0349 0.00000
497 -0.0036 0.00000
498 -0.0308 0.00000
499 0.0538 0.00000
500 0.0027 0.00000
501 -0.0344 0.00000
502 -0.0405 0.00000
503 0.0560 0.00000
504 -0.0633 0.00000
505 0.0049 0.00000
506 0.0240 0.00000
507 0.0405 0.00000
508 -0.0192 0.00000
509 0.0091 0.00000
510 0.0989 0.00000
511 -0.0093 0.00000
512 -0.0846 0.00000
513 0.0240 0.00000
514 0.1506 0.00000
515 -0.0306 0.00000
516 0.0506 0.00000
517 0.1441 0.00000
518 0.0426 0.00000
519 0.1354 0.00000
520 -0.0730 0.00000
521 -0.1655 0.00000
522 0.0178 0.00000
523 -0.0527 0.00000
524 0.0103 0.00000
525 -0.0763 0.00000
526 -0.0219 0.00000
527 -0.0907 0.00000
528 -0.1219 0.00000
529 -0.0418 0.00000
530 -0.1780 0.00000
531 -0.1040 0.00000
532 -0.0771 0.00000
533 -0.0333 0.00000
534 -0.0681 0.00000
535 -0.0098 0.00000
536 -0.2594 0.00000
537 -0.0146 0.00000
538 -0.1263 0.00000
539 -0.0386 0.00000
540 -0.1627 0.00000
541 -0.0297 0.00000
542 0.0290 0.00000
543 -0.1136 0.00000
544 -0.1504 0.00000
545 -0.0108 0.00000
546 0.0504 0.00000
547 -0.0938 0.00000
548 -0.0410 0.00000
549 -0.0429 0.00000
550 -0.0186 0.00000
551 -0.0213 0.00000
552 0.0490 0.00000
553 -0.0236 0.00000
554 0.0258 0.00000
555 -0.0617 0.00000
556 0.0437 0.00000
557 0.0129 0.00000
558 -0.0065 0.00000
559 -0.0460 0.00000
560 0.0087 0.00000
561 0.0933 0.00000
562 -0.0352 0.00000
563 0.0515 0.00000
564 -0.0132 0.00000
565 0.0972 0.00000
566 0.0213 0.00000
567 -0.0342 0.00000
568 0.0101 0.00000
569 0.0213 0.00000
570 -0.0066 0.00000
571 0.0239 0.00000
572 0.0260 0.00000
573 0.0143 0.00000
574 0.0386 0.00000
575 -0.0343 0.00000
576 0.0269 0.00000
577 0.0645 0.00000
578 -0.0196 0.00000
579 0.0330 0.00000
580 -0.0158 0.00000
581 0.0074 0.00000
582 0.1211 0.00000
583 -0.0596 0.00000
584 -0.1155 0.00000
585 -0.0725 0.00000
586 -0.0921 0.00000
587 0.0228 0.00000
588 -0.0956 0.00000
589 0.0474 0.00000
590 -0.0597 0.00000
591 -0.0497 0.00000
592 -0.0471 0.00000
593 -0.0373 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0816 0.00000
597 0.0869 0.00000
598 -0.0179 0.00000
599 -0.0429 0.00000
600 -0.0729 0.00000
601 -0.1919 0.00000
602 0.0340 0.00000
603 -0.2854 0.00000
604 -0.0141 0.00000
605 0.0504 0.00000
606 0.0367 0.00000
607 0.0069 0.00000
608 0.0637 0.00000
609 -0.0214 0.00000
610 0.0337 0.00000
611 -0.0715 0.00000
612 0.0346 0.00000
613 -0.0068 0.00000
614 0.0723 0.00000
615 0.0973 0.00000
616 0.1197 0.00000
617 0.0224 0.00000
618 0.0071 0.00000
619 0.0309 0.00000
620 0.0493 0.00000
621 0.0635 0.00000
622 0.0491 0.00000
623 0.0739 0.00000
624 -0.0166 0.00000
625 0.0406 0.00000
626 0.0023 0.00000
627 0.0485 0.00000
628 0.0357 0.00000
629 0.0572 0.00000
630 -0.0106 0.00000
631 0.0726 0.00000
632 0.0892 0.00000
633 0.0392 0.00000
634 0.0363 0.00000
635 0.0329 0.00000
636 0.0835 0.00000
637 0.0246 0.00000
638 0.0253 0.00000
639 0.0526 0.00000
640 -0.0006 0.00000
641 0.0177 0.00000
642 0.0352 0.00000
643 0.0706 0.00000
644 0.0138 0.00000
645 0.0231 0.00000
646 -0.0172 0.00000
647 0.0224 0.00000
648 0.0797 0.00000
649 -0.0094 0.00000
650 -0.0008 0.00000
651 -0.0403 0.00000
652 0.0100 0.00000
653 0.0405 0.00000
654 -0.0284 0.00000
655 0.1345 0.00000
656 -0.0049 0.00000
657 -0.0187 0.00000
658 0.0714 0.00000
659 0.0191 0.00000
660 -0.0099 0.00000
661 0.0163 0.00000
662 -0.0178 0.00000
663 0.0213 0.00000
664 0.0597 0.00000
665 0.0116 0.00000
666 -0.0088 0.00000
667 0.0324 0.00000
668 0.0053 0.00000
669 -0.0327 0.00000
670 0.0173 0.00000
671 0.0056 0.00000
672 0.0137 0.00000
673 0.0732 0.00000
674 -0.0212 0.00000
675 0.0561 0.00000
676 -0.0191 0.00000
677 -0.0127 0.00000
678 -0.0111 0.00000
679 -0.0105 0.00000
680 0.0532 0.00000
681 -0.0174 0.00000
682 0.0571 0.00000
683 0.0435 0.00000
684 0.0290 0.00000
685 0.0095 0.00000
686 -0.0426 0.00000
687 0.0262 0.00000
688 -0.0584 0.00000
689 0.0464 0.00000
690 -0.0116 0.00000
691 0.0267 0.00000
692 -0.0477 0.00000
693 -0.0229 0.00000
694 0.0223 0.00000
695 0.0262 0.00000
696 0.0238 0.00000
697 -0.0117 0.00000
698 0.0054 0.00000
699 0.0414 0.00000
700 -0.0204 0.00000
701 0.0021 0.00000
702 0.0006 0.00000
703 -0.0158 0.00000
704 -0.0038 0.00000
705 -0.0007 0.00000
706 0.0236 0.00000
707 0.0091 0.00000
708 0.0151 0.00000
709 0.0162 0.00000
710 0.0047 0.00000
711 -0.0110 0.00000
712 0.0176 0.00000
713 -0.0705 0.00000
714 0.0111 0.00000
715 0.0072 0.00000
716 0.0189 0.00000
717 0.0154 0.00000
718 0.0188 0.00000
719 -0.0010 0.00000
720 0.0081 0.00000
721 -0.0429 0.00000
722 -0.0235 0.00000
723 -0.0157 0.00000
724 0.0074 0.00000
725 -0.0115 0.00000
726 0.0041 0.00000
727 0.0030 0.00000
728 0.0160 0.00000
729 0.0292 0.00000
730 0.0252 0.00000
731 0.0704 0.00000
732 0.0804 0.00000
733 0.0023 0.00000
734 -0.0366 0.00000
735 -0.0461 0.00000
736 -0.0088 0.00000
737 0.0339 0.00000
738 0.0159 0.00000
739 0.0224 0.00000
740 0.0068 0.00000
741 -0.0134 0.00000
742 0.0223 0.00000
743 -0.0414 0.00000
744 -0.0244 0.00000
745 0.0075 0.00000
746 0.0452 0.00000
747 -0.0078 0.00000
748 -0.0074 0.00000
749 0.0285 0.00000
750 0.0142 0.00000
751 -0.0841 0.00000
752 -0.0177 0.00000
753 0.0542 0.00000
754 -0.0044 0.00000
755 0.0253 0.00000
756 0.0280 0.00000
757 -0.0383 0.00000
758 0.0345 0.00000
759 0.0483 0.00000
760 -0.0376 0.00000
761 -0.0053 0.00000
762 -0.0114 0.00000
763 -0.0415 0.00000
764 -0.0477 0.00000
765 -0.0478 0.00000
766 -0.0139 0.00000
767 0.0099 0.00000
768 -0.0065 0.00000
769 -0.0227 0.00000
770 -0.0027 0.00000
771 -0.0212 0.00000
772 -0.0901 0.00000
773 0.0104 0.00000
774 -0.0018 0.00000
775 -0.0096 0.00000
776 0.0064 0.00000
777 0.0332 0.00000
778 -0.0078 0.00000
779 -0.0219 0.00000
780 0.0043 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0676 0.00000
4 -0.0728 0.00000
5 -0.6680 0.00000
6 -0.0879 0.00000
7 -0.0351 0.00000
8 -0.1713 0.00000
9 0.4595 0.00000
10 0.1274 0.00000
11 0.0209 0.00000
12 -0.0369 0.00000
13 -0.0337 0.00000
14 0.0380 0.00000
15 0.0537 0.00000
16 -0.0078 0.00000
17 -0.5988 0.00000
18 -0.0032 0.00000
19 -0.0296 0.00000
20 0.0442 0.00000
21 -0.0619 0.00000
22 0.3243 0.00000
23 -0.0526 0.00000
24 0.2989 0.00000
25 0.2329 0.00000
26 0.1127 0.00000
27 0.0934 0.00000
28 -0.0994 0.00000
29 0.0877 0.00000
30 0.0264 0.00000
31 0.1767 0.00000
32 0.1724 0.00000
33 -0.0498 0.00000
34 0.0442 0.00000
35 -0.0783 0.00000
36 0.2267 0.00000
37 -0.0425 0.00000
38 -0.3036 0.00000
39 0.3038 0.00000
40 0.1230 0.00000
41 -0.3612 0.00000
42 0.0304 0.00000
43 0.0799 0.00000
44 0.0177 0.00000
45 0.5417 0.00000
46 0.0717 0.00000
47 0.0645 0.00000
48 -0.0201 0.00000
49 0.1030 0.00000
50 0.2982 0.00000
51 0.0224 0.00000
52 -0.5153 0.00000
53 -0.0414 0.00000
54 -0.0484 0.00000
55 0.0408 0.00000
56 0.2963 0.00000
57 0.0207 0.00000
58 -0.3992 0.00000
59 0.1128 0.00000
60 -1.2794 0.00000
61 -0.1570 0.00000
62 -0.1342 0.00000
63 0.0374 0.00000
64 0.2458 0.00000
65 -0.7030 0.00000
66 -0.1042 0.00000
67 -1.0298 0.00000
68 0.1354 0.00000
69 -0.1552 0.00000
70 -0.1745 0.00000
71 -0.1587 0.00000
72 -0.1189 0.00000
73 -0.1983 0.00000
74 -0.1999 0.00000
75 -0.0668 0.00000
76 0.0083 0.00000
77 -0.0545 0.00000
78 -0.2913 0.00000
79 0.0144 0.00000
80 -0.0312 0.00000
81 0.0207 0.00000
82 0.0738 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0872 0.00000
90 0.0615 0.00000
91 0.0796 0.00000
92 0.0779 0.00000
93 0.0224 0.00000
94 -0.0318 0.00000
95 0.1090 0.00000
96 0.0799 0.00000
97 -0.0150 0.00000
98 0.1088 0.00000
99 0.1392 0.00000
100 0.1235 0.00000
101 -0.0356 0.00000
102 0.3013 0.00000
103 -0.0454 0.00000
104 0.1175 0.00000
105 0.1130 0.00000
106 0.0066 0.00000
107 0.0539 0.00000
108 0.1092 0.00000
109 0.0917 0.00000
110 0.1291 0.00000
111 0.1070 0.00000
112 0.0988 0.00000
113 0.1091 0.00000
114 0.0014 0.00000
115 0.0323 0.00000
116 -0.0088 0.00000
117 0.0097 0.00000
118 0.0295 0.00000
119 -0.0948 0.00000
120 -0.0502 0.00000
121 0.1847 0.00000
122 0.0844 0.00000
123 0.0603 0.00000
124 0.1322 0.00000
125 0.1165 0.00000
126 0.0413 0.00000
127 -0.0334 0.00000
128 -0.0848 0.00000
129 0.1208 0.00000
130 0.0445 0.00000
131 0.1542 0.00000
132 -0.0288 0.00000
133 -0.0637 0.00000
134 0.0754 0.00000
135 -0.1104 0.00000
136 0.0418 0.00000
137 -0.0178 0.00000
138 -0.0164 0.00000
139 0.0583 0.00000
140 -0.0352 0.00000
141 0.0353 0.00000
142 -0.0769 0.00000
143 0.0116 0.00000
144 -0.0540 0.00000
145 -0.0905 0.00000
146 -0.0689 0.00000
147 -0.0708 0.00000
148 0.0437 0.00000
149 -1.0958 0.00000
150 0.0867 0.00000
151 0.1311 0.00000
152 -0.0856 0.00000
153 0.0457 0.00000
154 -0.0366 0.00000
155 -0.0646 0.00000
156 -0.0972 0.00000
157 0.0755 0.00000
158 -0.0967 0.00000
159 0.2160 0.00000
160 -0.0462 0.00000
161 0.0708 0.00000
162 0.0648 0.00000
163 0.0155 0.00000
164 0.0574 0.00000
165 -0.0128 0.00000
166 0.0654 0.00000
167 0.0475 0.00000
168 -0.0422 0.00000
169 0.1708 0.00000
170 -0.0384 0.00000
171 -0.0685 0.00000
172 -0.0129 0.00000
173 -0.0907 0.00000
174 -0.0109 0.00000
175 0.1870 0.00000
176 -0.1454 0.00000
177 0.0228 0.00000
178 0.0035 0.00000
179 0.0178 0.00000
180 -0.0187 0.00000
181 0.1247 0.00000
182 -0.0166 0.00000
183 0.0683 0.00000
184 0.0001 0.00000
185 0.0508 0.00000
186 -0.0319 0.00000
187 -0.0016 0.00000
188 0.1052 0.00000
189 -0.0506 0.00000
190 0.1039 0.00000
191 -0.0550 0.00000
192 -0.1726 0.00000
193 -0.3150 0.00000
194 -0.0635 0.00000
195 -0.0486 0.00000
196 -0.0279 0.00000
197 0.0015 0.00000
198 -0.0721 0.00000
199 -0.0758 0.00000
200 0.1843 0.00000
201 0.0314 0.00000
202 0.1051 0.00000
203 0.0652 0.00000
204 0.0284 0.00000
205 -0.1894 0.00000
206 -0.3580 0.00000
207 -0.3808 0.00000
208 -0.8054 0.00000
209 -0.4506 0.00000
210 0.1215 0.00000
211 -0.0733 0.00000
212 -0.0408 0.00000
213 -0.0409 0.00000
214 -0.1560 0.00000
215 0.0833 0.00000
216 -0.0500 0.00000
217 -0.3363 0.00000
218 -0.0294 0.00000
219 0.4272 0.00000
220 0.4986 0.00000
221 0.0932 0.00000
222 -0.0572 0.00000
223 -0.0434 0.00000
224 0.0061 0.00000
225 -0.0243 0.00000
226 -0.2365 0.00000
227 -0.0536 0.00000
228 -0.1147 0.00000
229 -0.2313 0.00000
230 -0.0677 0.00000
231 0.0937 0.00000
232 -0.0422 0.00000
233 -0.0442 0.00000
234 0.0234 0.00000
235 0.0910 0.00000
236 -0.0101 0.00000
237 0.0366 0.00000
238 0.0849 0.00000
239 0.1180 0.00000
240 -0.0036 0.00000
241 0.0667 0.00000
242 0.0160 0.00000
243 0.0785 0.00000
244 -0.0498 0.00000
245 0.0177 0.00000
246 0.0687 0.00000
247 0.1883 0.00000
248 0.3135 0.00000
249 0.0810 0.00000
250 0.0737 0.00000
251 0.0830 0.00000
252 0.0284 0.00000
253 0.0285 0.00000
254 -0.0310 0.00000
255 0.0146 0.00000
256 0.1063 0.00000
257 0.1950 0.00000
258 -0.0319 0.00000
259 -0.0245 0.00000
260 0.1608 0.00000
261 0.0118 0.00000
262 0.0155 0.00000
263 -0.0151 0.00000
264 0.0141 0.00000
265 -0.0094 0.00000
266 0.0519 0.00000
267 0.0536 0.00000
268 -0.0239 0.00000
269 0.0290 0.00000
270 0.0262 0.00000
271 0.0680 0.00000
272 0.0866 0.00000
273 0.0754 0.00000
274 -0.0168 0.00000
275 0.0559 0.00000
276 0.0297 0.00000
277 0.0363 0.00000
278 0.0319 0.00000
279 0.0414 0.00000
280 0.1092 0.00000
281 0.0786 0.00000
282 0.0025 0.00000
283 0.0727 0.00000
284 0.0426 0.00000
285 0.0699 0.00000
286 -0.0052 0.00000
287 0.0471 0.00000
288 0.0034 0.00000
289 0.0921 0.00000
290 0.0350 0.00000
291 0.0656 0.00000
292 0.0822 0.00000
293 0.0413 0.00000
294 0.0582 0.00000
295 0.0696 0.00000
296 0.0826 0.00000
297 0.0765 0.00000
298 0.0398 0.00000
299 0.1157 0.00000
300 0.1091 0.00000
301 0.0055 0.00000
302 0.0675 0.00000
303 0.0994 0.00000
304 0.0831 0.00000
305 0.1532 0.00000
306 0.0857 0.00000
307 0.0062 0.00000
308 0.0286 0.00000
309 0.0264 0.00000
310 0.0040 0.00000
311 0.1821 0.00000
312 0.0391 0.00000
313 0.0663 0.00000
314 0.0668 0.00000
315 0.0955 0.00000
316 0.1229 0.00000
317 0.1037 0.00000
318 0.0106 0.00000
319 0.2074 0.00000
320 0.0783 0.00000
321 0.0343 0.00000
322 0.0148 0.00000
323 0.1244 0.00000
324 0.1033 0.00000
325 0.0303 0.00000
326 -0.0055 0.00000
327 0.0004 0.00000
328 0.0343 0.00000
329 0.0877 0.00000
330 0.0875 0.00000
331 0.0070 0.00000
332 0.0466 0.00000
333 -0.0352 0.00000
334 0.0415 0.00000
335 -0.0310 0.00000
336 0.0045 0.00000
337 0.0659 0.00000
338 0.0646 0.00000
339 -0.0364 0.00000
340 -0.0238 0.00000
341 -0.0512 0.00000
342 -0.0081 0.00000
343 0.0088 0.00000
344 -0.0364 0.00000
345 0.0605 0.00000
346 0.0175 0.00000
347 -0.0252 0.00000
348 0.0877 0.00000
349 -0.0491 0.00000
350 -0.0441 0.00000
351 -0.1889 0.00000
352 0.0024 0.00000
353 0.0060 0.00000
354 -0.0292 0.00000
355 -0.0166 0.00000
356 0.0301 0.00000
357 -0.0350 0.00000
358 0.0641 0.00000
359 0.0564 0.00000
360 0.0596 0.00000
361 -0.0323 0.00000
362 -0.1726 0.00000
363 0.0127 0.00000
364 -0.0087 0.00000
365 -0.0099 0.00000
366 -0.0591 0.00000
367 0.0652 0.00000
368 -0.0676 0.00000
369 -0.1665 0.00000
370 -0.1006 0.00000
371 0.0149 0.00000
372 -0.0365 0.00000
373 0.0735 0.00000
374 0.0292 0.00000
375 -0.0572 0.00000
376 -0.0685 0.00000
377 0.0058 0.00000
378 -0.1156 0.00000
379 -0.0083 0.00000
380 0.0166 0.00000
381 0.0389 0.00000
382 -0.3125 0.00000
383 0.0168 0.00000
384 0.0448 0.00000
385 0.0180 0.00000
386 0.0118 0.00000
387 0.0260 0.00000
388 0.0927 0.00000
389 0.0077 0.00000
390 -0.0983 0.00000
391 0.0148 0.00000
392 0.0935 0.00000
393 0.0113 0.00000
394 0.0379 0.00000
395 -0.1001 0.00000
396 -0.0388 0.00000
397 -0.0290 0.00000
398 -0.2015 0.00000
399 -0.1445 0.00000
400 -0.1866 0.00000
401 0.0366 0.00000
402 -0.1132 0.00000
403 -0.0976 0.00000
404 -0.2226 0.00000
405 0.0180 0.00000
406 0.0938 0.00000
407 0.1325 0.00000
408 -0.1499 0.00000
409 -0.2526 0.00000
410 -0.0044 0.00000
411 -0.4300 0.00000
412 -0.4301 0.00000
413 -0.0507 0.00000
414 0.3565 0.00000
415 -0.0204 0.00000
416 -0.0355 0.00000
417 -0.0125 0.00000
418 0.0612 0.00000
419 -0.0217 0.00000
420 -0.0446 0.00000
421 -0.0662 0.00000
422 -0.0093 0.00000
423 -0.0971 0.00000
424 -0.0178 0.00000
425 -0.0506 0.00000
426 0.1572 0.00000
427 -0.0507 0.00000
428 -0.1466 0.00000
429 0.0316 0.00000
430 -0.1481 0.00000
431 -0.0112 0.00000
432 -0.1386 0.00000
433 -0.0479 0.00000
434 0.0303 0.00000
435 -0.0919 0.00000
436 0.0299 0.00000
437 0.0473 0.00000
438 -0.1716 0.00000
439 0.0053 0.00000
440 0.0817 0.00000
441 -0.0190 0.00000
442 -0.0182 0.00000
443 -0.0733 0.00000
444 0.0278 0.00000
445 -0.0481 0.00000
446 -0.0004 0.00000
447 -0.1310 0.00000
448 0.0124 0.00000
449 -0.0052 0.00000
450 0.0108 0.00000
451 0.0088 0.00000
452 0.0319 0.00000
453 -0.0100 0.00000
454 -0.0668 0.00000
455 0.0314 0.00000
456 0.0324 0.00000
457 -0.0259 0.00000
458 0.0572 0.00000
459 -0.0262 0.00000
460 -0.0567 0.00000
461 -0.0194 0.00000
462 -0.0495 0.00000
463 0.0427 0.00000
464 -0.0041 0.00000
465 -0.0554 0.00000
466 -0.0435 0.00000
467 -0.0385 0.00000
468 -0.0152 0.00000
469 -0.0029 0.00000
470 -0.0148 0.00000
471 0.1343 0.00000
472 0.0974 0.00000
473 0.0996 0.00000
474 0.0730 0.00000
475 0.0804 0.00000
476 0.1287 0.00000
477 -0.0656 0.00000
478 0.0333 0.00000
479 -0.0676 0.00000
480 0.0592 0.00000
481 -0.0403 0.00000
482 -0.0231 0.00000
483 0.0105 0.00000
484 0.0276 0.00000
485 -0.0119 0.00000
486 -0.0264 0.00000
487 -0.0890 0.00000
488 0.0785 0.00000
489 0.0648 0.00000
490 -0.0123 0.00000
491 -0.0072 0.00000
492 0.0401 0.00000
493 0.1017 0.00000
494 0.0174 0.00000
495 -0.0467 0.00000
496 -0.0870 0.00000
497 -0.1502 0.00000
498 0.0402 0.00000
499 -0.0132 0.00000
500 0.0049 0.00000
501 0.1731 0.00000
502 -0.0595 0.00000
503 -0.0021 0.00000
504 -0.0183 0.00000
505 -0.0325 0.00000
506 -0.0112 0.00000
507 -0.0060 0.00000
508 0.1592 0.00000
509 0.0590 0.00000
510 -0.0123 0.00000
511 -0.0511 0.00000
512 0.0538 0.00000
513 0.1067 0.00000
514 0.0082 0.00000
515 -0.0382 0.00000
516 -0.0031 0.00000
517 0.0156 0.00000
518 -0.0784 0.00000
519 0.0446 0.00000
520 0.0802 0.00000
521 -0.0366 0.00000
522 -0.0242 0.00000
523 0.0127 0.00000
524 -0.0279 0.00000
525 -0.0733 0.00000
526 0.0037 0.00000
527 -0.1678 0.00000
528 -0.2584 0.00000
529 0.0149 0.00000
530 -0.0727 0.00000
531 -0.0405 0.00000
532 -0.0337 0.00000
533 -0.0204 0.00000
534 -0.2140 0.00000
535 -0.2022 0.00000
536 -0.0256 0.00000
537 -0.0180 0.00000
538 -0.0326 0.00000
539 -0.0537 0.00000
540 -0.1835 0.00000
541 -0.0687 0.00000
542 -0.0745 0.00000
543 -0.0213 0.00000
544 0.0208 0.00000
545 0.0373 0.00000
546 -0.0148 0.00000
547 -0.0707 0.00000
548 -0.0465 0.00000
549 -0.1106 0.00000
550 -0.0856 0.00000
551 -0.0316 0.00000
552 -0.0042 0.00000
553 -0.0401 0.00000
554 -0.0215 0.00000
555 -0.0193 0.00000
556 0.0525 0.00000
557 0.0027 0.00000
558 -0.0201 0.00000
559 0.0356 0.00000
560 0.1703 0.00000
561 -0.0345 0.00000
562 0.0203 0.00000
563 -0.0176 0.00000
564 0.0676 0.00000
565 -0.0021 0.00000
566 -0.0163 0.00000
567 -0.0281 0.00000
568 0.0281 0.00000
569 0.0234 0.00000
570 0.0202 0.00000
571 0.0144 0.00000
572 0.0365 0.00000
573 0.0114 0.00000
574 -0.0463 0.00000
575 0.0088 0.00000
576 0.0900 0.00000
577 0.0450 0.00000
578 -0.0020 0.00000
579 0.1037 0.00000
580 0.0208 0.00000
581 -0.0140 0.00000
582 -0.0266 0.00000
583 -0.0615 0.00000
584 -0.1106 0.00000
585 -0.0540 0.00000
586 -0.0910 0.00000
587 0.0352 0.00000
588 -0.0984 0.00000
589 0.0472 0.00000
590 -0.0586 0.00000
591 -0.0500 0.00000
592 -0.0501 0.00000
593 -0.0361 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0815 0.00000
597 0.0868 0.00000
598 -0.0280 0.00000
599 0.0445 0.00000
600 -0.2398 0.00000
601 -0.0617 0.00000
602 0.0218 0.00000
603 -0.2682 0.00000
604 0.0317 0.00000
605 -0.0073 0.00000
606 0.0136 0.00000
607 0.0030 0.00000
608 0.0412 0.00000
609 -0.0716 0.00000
610 0.0153 0.00000
611 0.0392 0.00000
612 -0.0006 0.00000
613 0.0389 0.00000
614 0.0200 0.00000
615 0.1404 0.00000
616 0.0814 0.00000
617 0.0760 0.00000
618 0.1094 0.00000
619 0.0362 0.00000
620 -0.0492 0.00000
621 0.0080 0.00000
622 0.0586 0.00000
623 -0.0318 0.00000
624 0.0191 0.00000
625 0.0210 0.00000
626 0.1082 0.00000
627 0.0358 0.00000
628 0.0737 0.00000
629 0.0162 0.00000
630 -0.0026 0.00000
631 0.0707 0.00000
632 0.0593 0.00000
633 0.0722 0.00000
634 0.0472 0.00000
635 0.0118 0.00000
636 0.0954 0.00000
637 0.0667 0.00000
638 0.0408 0.00000
639 0.0270 0.00000
640 -0.0166 0.00000
641 0.0086 0.00000
642 0.0237 0.00000
643 -0.0387 0.00000
644 0.0558 0.00000
645 0.0243 0.00000
646 0.0322 0.00000
647 -0.0281 0.00000
648 0.0126 0.00000
649 0.1140 0.00000
650 0.0118 0.00000
651 0.0533 0.00000
652 0.0172 0.00000
653 0.0032 0.00000
654 0.0280 0.00000
655 -0.0024 0.00000
656 -0.0166 0.00000
657 0.0031 0.00000
658 0.0321 0.00000
659 -0.0003 0.00000
660 0.0511 0.00000
661 0.0528 0.00000
662 -0.0123 0.00000
663 0.0386 0.00000
664 0.0121 0.00000
665 0.0544 0.00000
666 -0.0261 0.00000
667 0.0348 0.00000
668 0.0028 0.00000
669 -0.0117 0.00000
670 0.0151 0.00000
671 0.0383 0.00000
672 0.0359 0.00000
673 -0.0264 0.00000
674 0.0559 0.00000
675 0.0045 0.00000
676 -0.0052 0.00000
677 0.0014 0.00000
678 0.0263 0.00000
679 0.0534 0.00000
680 0.0477 0.00000
681 -0.0097 0.00000
682 -0.0377 0.00000
683 -0.0326 0.00000
684 -0.0107 0.00000
685 -0.0168 0.00000
686 0.0380 0.00000
687 -0.0493 0.00000
688 -0.0044 0.00000
689 0.0279 0.00000
690 -0.0212 0.00000
691 0.0300 0.00000
692 0.0070 0.00000
693 -0.0271 0.00000
694 0.0406 0.00000
695 -0.0027 0.00000
696 -0.0099 0.00000
697 -0.0975 0.00000
698 -0.0395 0.00000
699 0.0136 0.00000
700 -0.0210 0.00000
701 -0.0622 0.00000
702 0.0310 0.00000
703 0.0457 0.00000
704 -0.0198 0.00000
705 0.0481 0.00000
706 -0.0004 0.00000
707 0.0221 0.00000
708 0.0117 0.00000
709 0.0119 0.00000
710 -0.0269 0.00000
711 -0.0030 0.00000
712 0.0187 0.00000
713 -0.0496 0.00000
714 0.0484 0.00000
715 0.0320 0.00000
716 0.0286 0.00000
717 0.0639 0.00000
718 0.0415 0.00000
719 -0.0131 0.00000
720 0.0399 0.00000
721 0.0155 0.00000
722 -0.0615 0.00000
723 0.0028 0.00000
724 -0.0140 0.00000
725 0.0366 0.00000
726 0.0438 0.00000
727 0.0171 0.00000
728 0.0465 0.00000
729 -0.0254 0.00000
730 0.0412 0.00000
731 0.0282 0.00000
732 0.0050 0.00000
733 0.0048 0.00000
734 0.0445 0.00000
735 -0.0037 0.00000
736 -0.0136 0.00000
737 -0.0326 0.00000
738 0.0200 0.00000
739 -0.0536 0.00000
740 0.0349 0.00000
741 -0.0429 0.00000
742 0.0144 0.00000
743 0.0403 0.00000
744 -0.0132 0.00000
745 -0.0374 0.00000
746 -0.0316 0.00000
747 -0.0399 0.00000
748 -0.0635 0.00000
749 0.0908 0.00000
750 -0.0171 0.00000
751 0.0075 0.00000
752 -0.0063 0.00000
753 -0.0264 0.00000
754 -0.0083 0.00000
755 0.0390 0.00000
756 -0.0294 0.00000
757 -0.0225 0.00000
758 -0.0086 0.00000
759 0.0191 0.00000
760 -0.0392 0.00000
761 0.0276 0.00000
762 0.0844 0.00000
763 0.1016 0.00000
764 -0.0143 0.00000
765 0.0171 0.00000
766 -0.0725 0.00000
767 0.0299 0.00000
768 0.0100 0.00000
769 -0.0701 0.00000
770 0.0146 0.00000
771 -0.0273 0.00000
772 -0.0019 0.00000
773 0.0004 0.00000
774 -0.0611 0.00000
775 0.0144 0.00000
776 -0.0103 0.00000
777 -0.0117 0.00000
778 0.0111 0.00000
779 -0.0149 0.00000
780 -0.0219 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 0.0794 0.00000
2 0.0993 0.00000
3 0.0677 0.00000
4 -0.0778 0.00000
5 -0.6624 0.00000
6 -0.0888 0.00000
7 -0.0350 0.00000
8 -0.1727 0.00000
9 0.4625 0.00000
10 0.1252 0.00000
11 0.0211 0.00000
12 -0.0377 0.00000
13 -0.0337 0.00000
14 0.0380 0.00000
15 0.0538 0.00000
16 0.1004 0.00000
17 -0.4093 0.00000
18 -0.3077 0.00000
19 -0.0541 0.00000
20 0.0677 0.00000
21 -0.0601 0.00000
22 0.3189 0.00000
23 -0.0431 0.00000
24 0.1620 0.00000
25 0.4052 0.00000
26 0.1261 0.00000
27 0.0883 0.00000
28 -0.2294 0.00000
29 0.0933 0.00000
30 0.0670 0.00000
31 0.2360 0.00000
32 0.1170 0.00000
33 -0.0206 0.00000
34 0.0032 0.00000
35 -0.0705 0.00000
36 0.3369 0.00000
37 0.0133 0.00000
38 -0.3397 0.00000
39 0.1224 0.00000
40 0.1117 0.00000
41 -0.3007 0.00000
42 0.0621 0.00000
43 0.0805 0.00000
44 0.2983 0.00000
45 0.1588 0.00000
46 0.0769 0.00000
47 0.0336 0.00000
48 0.2033 0.00000
49 0.3312 0.00000
50 -0.0481 0.00000
51 -0.0290 0.00000
52 -0.3183 0.00000
53 -0.0516 0.00000
54 -0.0871 0.00000
55 -0.0013 0.00000
56 0.4038 0.00000
57 0.0208 0.00000
58 -0.3156 0.00000
59 -1.2259 0.00000
60 -0.1565 0.00000
61 -0.2134 0.00000
62 0.3448 0.00000
63 -0.0941 0.00000
64 0.0074 0.00000
65 -0.6537 0.00000
66 -0.1778 0.00000
67 -1.1411 0.00000
68 0.2142 0.00000
69 -0.1543 0.00000
70 -0.1655 0.00000
71 -0.1598 0.00000
72 -0.1187 0.00000
73 -0.1973 0.00000
74 -0.1981 0.00000
75 -0.0672 0.00000
76 0.0064 0.00000
77 -0.0555 0.00000
78 -0.2902 0.00000
79 0.0147 0.00000
80 -0.0314 0.00000
81 0.0208 0.00000
82 0.0737 0.00000
83 -0.0213 0.00000
84 -0.0345 0.00000
85 -0.0218 0.00000
86 -0.0249 0.00000
87 -0.0116 0.00000
88 0.0969 0.00000
89 0.0871 0.00000
90 0.0617 0.00000
91 0.0795 0.00000
92 0.0783 0.00000
93 0.0210 0.00000
94 -0.0305 0.00000
95 0.1098 0.00000
96 0.0719 0.00000
97 -0.0148 0.00000
98 0.0858 0.00000
99 0.2075 0.00000
100 0.0435 0.00000
101 0.0108 0.00000
102 0.3011 0.00000
103 -0.0641 0.00000
104 0.1237 0.00000
105 0.1179 0.00000
106 0.0135 0.00000
107 0.0591 0.00000
108 0.1005 0.00000
109 0.0965 0.00000
110 0.1172 0.00000
111 0.0827 0.00000
112 0.1733 0.00000
113 0.0363 0.00000
114 0.0525 0.00000
115 0.0099 0.00000
116 -0.0032 0.00000
117 0.0037 0.00000
118 0.0377 0.00000
119 -0.1145 0.00000
120 -0.0216 0.00000
121 0.1610 0.00000
122 0.0802 0.00000
123 0.1116 0.00000
124 0.1087 0.00000
125 0.0955 0.00000
126 0.0378 0.00000
127 -0.0415 0.00000
128 -0.0590 0.00000
129 0.1183 0.00000
130 0.0499 0.00000
131 0.1397 0.00000
132 -0.0290 0.00000
133 -0.0557 0.00000
134 0.0692 0.00000
135 -0.1099 0.00000
136 0.0378 0.00000
137 -0.0172 0.00000
138 -0.0163 0.00000
139 0.0607 0.00000
140 -0.0273 0.00000
141 0.0343 0.00000
142 -0.0774 0.00000
143 0.0139 0.00000
144 -0.0644 0.00000
145 -0.0870 0.00000
146 -0.0690 0.00000
147 -0.0708 0.00000
148 0.0913 0.00000
149 -1.1891 0.00000
150 0.1141 0.00000
151 0.1077 0.00000
152 -0.0087 0.00000
153 0.0346 0.00000
154 -0.1392 0.00000
155 0.0892 0.00000
156 -0.0469 0.00000
157 -0.0210 0.00000
158 -0.1238 0.00000
159 0.1266 0.00000
160 0.1570 0.00000
161 -0.0018 0.00000
162 0.1420 0.00000
163 -0.1858 0.00000
164 0.0484 0.00000
165 -0.0001 0.00000
166 0.0758 0.00000
167 0.1243 0.00000
168 0.0333 0.00000
169 0.0062 0.00000
170 -0.1021 0.00000
171 0.0975 0.00000
172 -0.0252 0.00000
173 -0.0641 0.00000
174 -0.0027 0.00000
175 0.0719 0.00000
176 -0.1186 0.00000
177 -0.0497 0.00000
178 0.0461 0.00000
179 0.0953 0.00000
180 0.0100 0.00000
181 0.0600 0.00000
182 0.0174 0.00000
183 0.0810 0.00000
184 0.0012 0.00000
185 0.0486 0.00000
186 0.0026 0.00000
187 0.0227 0.00000
188 0.1258 0.00000
189 0.0399 0.00000
190 -0.2822 0.00000
191 -0.0385 0.00000
192 0.0391 0.00000
193 -0.0238 0.00000
194 -0.0589 0.00000
195 -0.2768 0.00000
196 -0.0530 0.00000
197 -0.1056 0.00000
198 0.1138 0.00000
199 -0.0585 0.00000
200 0.1249 0.00000
201 -0.0966 0.00000
202 0.1659 0.00000
203 -0.1385 0.00000
204 0.1394 0.00000
205 -0.1776 0.00000
206 -0.6140 0.00000
207 -0.3741 0.00000
208 -0.3878 0.00000
209 -0.5948 0.00000
210 0.2585 0.00000
211 -0.0157 0.00000
212 0.1119 0.00000
213 -0.0966 0.00000
214 -0.2979 0.00000
215 0.0539 0.00000
216 0.0117 0.00000
217 -0.4317 0.00000
218 -0.0873 0.00000
219 -0.0045 0.00000
220 -0.0647 0.00000
221 1.1618 0.00000
222 -0.1043 0.00000
223 -0.1088 0.00000
224 0.0274 0.00000
225 0.0228 0.00000
226 -0.2877 0.00000
227 -0.0505 0.00000
228 -0.1142 0.00000
229 -0.2277 0.00000
230 -0.0652 0.00000
231 0.0944 0.00000
232 -0.0420 0.00000
233 -0.0440 0.00000
234 0.0247 0.00000
235 0.0918 0.00000
236 -0.0168 0.00000
237 0.0509 0.00000
238 0.0834 0.00000
239 0.1081 0.00000
240 0.0028 0.00000
241 0.0672 0.00000
242 -0.0169 0.00000
243 0.0674 0.00000
244 -0.0489 0.00000
245 0.0895 0.00000
246 0.0469 0.00000
247 0.0952 0.00000
248 0.3996 0.00000
249 0.0451 0.00000
250 0.0977 0.00000
251 0.0810 0.00000
252 0.0311 0.00000
253 -0.0193 0.00000
254 0.1176 0.00000
255 0.0017 0.00000
256 0.0575 0.00000
257 0.0339 0.00000
258 0.0898 0.00000
259 0.0820 0.00000
260 -0.0074 0.00000
261 0.0408 0.00000
262 0.0245 0.00000
263 0.0245 0.00000
264 0.0298 0.00000
265 -0.0083 0.00000
266 0.0654 0.00000
267 -0.0063 0.00000
268 0.0504 0.00000
269 -0.0386 0.00000
270 0.0672 0.00000
271 0.0444 0.00000
272 0.0488 0.00000
273 0.0916 0.00000
274 -0.0032 0.00000
275 0.0879 0.00000
276 0.0243 0.00000
277 -0.0222 0.00000
278 0.0342 0.00000
279 0.0949 0.00000
280 0.0439 0.00000
281 0.1505 0.00000
282 0.0314 0.00000
283 -0.0125 0.00000
284 0.0390 0.00000
285 -0.0043 0.00000
286 0.1088 0.00000
287 0.0036 0.00000
288 0.0291 0.00000
289 0.0935 0.00000
290 0.0310 0.00000
291 0.0425 0.00000
292 0.0975 0.00000
293 0.1043 0.00000
294 0.0582 0.00000
295 0.0506 0.00000
296 0.1121 0.00000
297 0.0950 0.00000
298 0.0488 0.00000
299 0.1024 0.00000
300 0.0194 0.00000
301 0.0670 0.00000
302 0.0313 0.00000
303 0.1247 0.00000
304 0.0776 0.00000
305 0.0884 0.00000
306 0.0227 0.00000
307 0.0762 0.00000
308 0.0925 0.00000
309 0.1043 0.00000
310 0.0033 0.00000
311 0.1166 0.00000
312 -0.0090 0.00000
313 0.0349 0.00000
314 0.1535 0.00000
315 0.0353 0.00000
316 0.0469 0.00000
317 0.1374 0.00000
318 0.0900 0.00000
319 0.1906 0.00000
320 0.0877 0.00000
321 0.0266 0.00000
322 0.0428 0.00000
323 0.0899 0.00000
324 0.1544 0.00000
325 -0.0037 0.00000
326 0.0664 0.00000
327 0.0426 0.00000
328 0.0147 0.00000
329 0.0180 0.00000
330 0.0012 0.00000
331 0.0615 0.00000
332 -0.0118 0.00000
333 0.0561 0.00000
334 0.0867 0.00000
335 -0.0439 0.00000
336 -0.0146 0.00000
337 0.0003 0.00000
338 0.0972 0.00000
339 -0.0620 0.00000
340 -0.0486 0.00000
341 -0.0365 0.00000
342 0.0017 0.00000
343 -0.0479 0.00000
344 0.0080 0.00000
345 -0.0046 0.00000
346 0.0396 0.00000
347 0.0323 0.00000
348 -0.0102 0.00000
349 0.0062 0.00000
350 -0.1201 0.00000
351 -0.0199 0.00000
352 -0.0739 0.00000
353 -0.0321 0.00000
354 0.0341 0.00000
355 0.0364 0.00000
356 -0.0037 0.00000
357 -0.0149 0.00000
358 0.0047 0.00000
359 0.0794 0.00000
360 -0.1196 0.00000
361 -0.0794 0.00000
362 0.0029 0.00000
363 0.0590 0.00000
364 0.0425 0.00000
365 -0.0687 0.00000
366 -0.0183 0.00000
367 0.0246 0.00000
368 -0.0319 0.00000
369 -0.1281 0.00000
370 -0.0073 0.00000
371 -0.1002 0.00000
372 0.1028 0.00000
373 -0.0073 0.00000
374 -0.1275 0.00000
375 0.0342 0.00000
376 -0.0343 0.00000
377 -0.0847 0.00000
378 0.0198 0.00000
379 -0.1164 0.00000
380 -0.0239 0.00000
381 -0.0957 0.00000
382 0.0249 0.00000
383 0.0498 0.00000
384 -0.1136 0.00000
385 -0.0232 0.00000
386 -0.0385 0.00000
387 -0.0096 0.00000
388 0.0718 0.00000
389 0.2362 0.00000
390 0.0138 0.00000
391 -0.1496 0.00000
392 0.0385 0.00000
393 -0.0555 0.00000
394 -0.0097 0.00000
395 0.0328 0.00000
396 -0.0205 0.00000
397 -0.2416 0.00000
398 -0.3400 0.00000
399 -0.0623 0.00000
400 0.0675 0.00000
401 -0.0364 0.00000
402 0.0336 0.00000
403 -0.2698 0.00000
404 -0.0718 0.00000
405 -0.1216 0.00000
406 0.0783 0.00000
407 -0.1852 0.00000
408 -0.0705 0.00000
409 0.0138 0.00000
410 -0.1541 0.00000
411 -0.0689 0.00000
412 -0.5099 0.00000
413 0.0201 0.00000
414 0.0110 0.00000
415 0.0037 0.00000
416 0.0368 0.00000
417 -0.0712 0.00000
418 0.2514 0.00000
419 0.0814 0.00000
420 -0.1321 0.00000
421 -0.0638 0.00000
422 0.0377 0.00000
423 -0.0861 0.00000
424 -0.1048 0.00000
425 -0.0924 0.00000
426 -0.1050 0.00000
427 0.0113 0.00000
428 0.0095 0.00000
429 -0.0031 0.00000
430 0.0355 0.00000
431 -0.1833 0.00000
432 0.0076 0.00000
433 -0.0995 0.00000
434 -0.0581 0.00000
435 0.0287 0.00000
436 -0.0422 0.00000
437 0.0173 0.00000
438 0.0711 0.00000
439 0.0484 0.00000
440 -0.0502 0.00000
441 -0.0511 0.00000
442 -0.0051 0.00000
443 -0.0275 0.00000
444 -0.0081 0.00000
445 -0.0974 0.00000
446 -0.1378 0.00000
447 0.0040 0.00000
448 0.0101 0.00000
449 -0.0392 0.00000
450 -0.0323 0.00000
451 0.0061 0.00000
452 -0.0112 0.00000
453 0.0421 0.00000
454 -0.0641 0.00000
455 -0.0180 0.00000
456 0.0057 0.00000
457 0.0271 0.00000
458 -0.0692 0.00000
459 0.0384 0.00000
460 -0.0105 0.00000
461 0.1255 0.00000
462 0.0010 0.00000
463 -0.0432 0.00000
464 -0.0219 0.00000
465 -0.1262 0.00000
466 0.0042 0.00000
467 -0.0030 0.00000
468 0.0026 0.00000
469 0.0654 0.00000
470 -0.0080 0.00000
471 0.0130 0.00000
472 0.0043 0.00000
473 -0.0070 0.00000
474 0.1107 0.00000
475 0.0505 0.00000
476 0.1399 0.00000
477 0.0045 0.00000
478 -0.0449 0.00000
479 0.0822 0.00000
480 -0.0201 0.00000
481 -0.0078 0.00000
482 0.0954 0.00000
483 -0.0045 0.00000
484 -0.0649 0.00000
485 -0.0082 0.00000
486 0.0182 0.00000
487 0.0542 0.00000
488 -0.0452 0.00000
489 0.0191 0.00000
490 0.0378 0.00000
491 0.0639 0.00000
492 0.1008 0.00000
493 0.0437 0.00000
494 -0.0215 0.00000
495 -0.0029 0.00000
496 -0.1733 0.00000
497 -0.1385 0.00000
498 -0.0319 0.00000
499 -0.0148 0.00000
500 -0.0760 0.00000
501 0.1713 0.00000
502 0.0152 0.00000
503 0.0751 0.00000
504 0.0243 0.00000
505 -0.0474 0.00000
506 0.0174 0.00000
507 -0.0095 0.00000
508 0.0174 0.00000
509 -0.0223 0.00000
510 -0.0511 0.00000
511 0.1807 0.00000
512 0.0063 0.00000
513 -0.0400 0.00000
514 0.1543 0.00000
515 -0.1345 0.00000
516 0.0697 0.00000
517 0.1140 0.00000
518 -0.0033 0.00000
519 0.0783 0.00000
520 0.0374 0.00000
521 -0.0583 0.00000
522 -0.0844 0.00000
523 -0.0563 0.00000
524 0.0023 0.00000
525 -0.0348 0.00000
526 -0.1038 0.00000
527 -0.0354 0.00000
528 -0.0835 0.00000
529 -0.0357 0.00000
530 -0.0005 0.00000
531 -0.4400 0.00000
532 0.0008 0.00000
533 0.0165 0.00000
534 -0.1467 0.00000
535 -0.0147 0.00000
536 -0.0704 0.00000
537 -0.2744 0.00000
538 0.0769 0.00000
539 -0.1839 0.00000
540 -0.0202 0.00000
541 -0.0789 0.00000
542 -0.0512 0.00000
543 -0.0646 0.00000
544 -0.0521 0.00000
545 -0.0078 0.00000
546 -0.0718 0.00000
547 -0.0828 0.00000
548 -0.0077 0.00000
549 -0.0449 0.00000
550 0.0115 0.00000
551 -0.0212 0.00000
552 -0.0134 0.00000
553 -0.0137 0.00000
554 -0.0371 0.00000
555 0.0254 0.00000
556 -0.0603 0.00000
557 -0.0159 0.00000
558 0.0297 0.00000
559 0.0110 0.00000
560 0.0835 0.00000
561 0.0738 0.00000
562 -0.0079 0.00000
563 0.0547 0.00000
564 0.0519 0.00000
565 -0.0122 0.00000
566 -0.0153 0.00000
567 -0.0344 0.00000
568 -0.0358 0.00000
569 0.0934 0.00000
570 0.0389 0.00000
571 -0.0018 0.00000
572 0.0068 0.00000
573 0.0395 0.00000
574 -0.0288 0.00000
575 0.0370 0.00000
576 0.0490 0.00000
577 0.0324 0.00000
578 0.0219 0.00000
579 0.0611 0.00000
580 0.0411 0.00000
581 -0.0343 0.00000
582 -0.0790 0.00000
583 0.0106 0.00000
584 -0.0963 0.00000
585 -0.0862 0.00000
586 -0.0734 0.00000
587 0.0256 0.00000
588 -0.0942 0.00000
589 0.0474 0.00000
590 -0.0575 0.00000
591 -0.0502 0.00000
592 -0.0499 0.00000
593 -0.0365 0.00000
594 -0.0124 0.00000
595 -0.0115 0.00000
596 0.0815 0.00000
597 0.0868 0.00000
598 -0.0295 0.00000
599 0.0431 0.00000
600 -0.2504 0.00000
601 -0.1840 0.00000
602 -0.0405 0.00000
603 -0.0296 0.00000
604 0.0298 0.00000
605 -0.0082 0.00000
606 0.0020 0.00000
607 0.0244 0.00000
608 0.0162 0.00000
609 -0.0898 0.00000
610 0.0601 0.00000
611 0.0018 0.00000
612 0.0464 0.00000
613 0.0185 0.00000
614 0.0039 0.00000
615 0.1644 0.00000
616 0.0566 0.00000
617 0.0135 0.00000
618 0.0656 0.00000
619 0.0404 0.00000
620 -0.0061 0.00000
621 0.0499 0.00000
622 -0.0189 0.00000
623 -0.0089 0.00000
624 0.1014 0.00000
625 0.0785 0.00000
626 0.0518 0.00000
627 0.0703 0.00000
628 0.0233 0.00000
629 0.0317 0.00000
630 0.0443 0.00000
631 0.0498 0.00000
632 0.1260 0.00000
633 0.0427 0.00000
634 0.0107 0.00000
635 -0.0273 0.00000
636 0.0235 0.00000
637 0.0450 0.00000
638 0.0072 0.00000
639 0.0233 0.00000
640 0.0801 0.00000
641 -0.0139 0.00000
642 0.0630 0.00000
643 -0.0216 0.00000
644 0.0347 0.00000
645 0.0104 0.00000
646 0.0294 0.00000
647 0.0252 0.00000
648 -0.0059 0.00000
649 0.0279 0.00000
650 0.0600 0.00000
651 -0.0022 0.00000
652 -0.0001 0.00000
653 -0.0298 0.00000
654 0.0403 0.00000
655 -0.0169 0.00000
656 -0.0042 0.00000
657 0.0837 0.00000
658 0.0277 0.00000
659 0.0233 0.00000
660 0.0149 0.00000
661 -0.0363 0.00000
662 0.0194 0.00000
663 0.0274 0.00000
664 0.1182 0.00000
665 0.0268 0.00000
666 -0.0045 0.00000
667 0.0466 0.00000
668 -0.0247 0.00000
669 0.0008 0.00000
670 0.0227 0.00000
671 0.0223 0.00000
672 0.0208 0.00000
673 0.0159 0.00000
674 0.0382 0.00000
675 -0.0133 0.00000
676 0.0504 0.00000
677 -0.0000 0.00000
678 -0.0415 0.00000
679 0.0303 0.00000
680 0.0304 0.00000
681 0.0526 0.00000
682 -0.0000 0.00000
683 -0.0022 0.00000
684 -0.0187 0.00000
685 -0.0650 0.00000
686 0.0211 0.00000
687 0.0263 0.00000
688 -0.0165 0.00000
689 0.0406 0.00000
690 0.0396 0.00000
691 -0.0231 0.00000
692 0.0117 0.00000
693 0.0110 0.00000
694 -0.0518 0.00000
695 0.0011 0.00000
696 0.0128 0.00000
697 0.0190 0.00000
698 0.0394 0.00000
699 0.0200 0.00000
700 -0.0264 0.00000
701 -0.0705 0.00000
702 0.0502 0.00000
703 -0.0174 0.00000
704 -0.0278 0.00000
705 -0.0275 0.00000
706 0.0806 0.00000
707 -0.0303 0.00000
708 0.0297 0.00000
709 -0.0006 0.00000
710 0.0345 0.00000
711 -0.1048 0.00000
712 -0.0037 0.00000
713 0.0829 0.00000
714 -0.0102 0.00000
715 -0.0051 0.00000
716 -0.0125 0.00000
717 -0.0003 0.00000
718 0.0318 0.00000
719 -0.0370 0.00000
720 0.0337 0.00000
721 -0.0039 0.00000
722 -0.0138 0.00000
723 0.0554 0.00000
724 0.0054 0.00000
725 0.0380 0.00000
726 -0.0618 0.00000
727 0.0251 0.00000
728 0.0166 0.00000
729 -0.0085 0.00000
730 0.0074 0.00000
731 0.0362 0.00000
732 0.0307 0.00000
733 -0.0001 0.00000
734 -0.0128 0.00000
735 -0.0165 0.00000
736 -0.0873 0.00000
737 0.0415 0.00000
738 -0.0255 0.00000
739 -0.0235 0.00000
740 0.0437 0.00000
741 0.0076 0.00000
742 -0.0067 0.00000
743 -0.0090 0.00000
744 0.0446 0.00000
745 -0.0156 0.00000
746 0.0116 0.00000
747 -0.0524 0.00000
748 0.0195 0.00000
749 -0.0027 0.00000
750 -0.0084 0.00000
751 0.0247 0.00000
752 -0.0038 0.00000
753 0.0013 0.00000
754 0.0015 0.00000
755 -0.0064 0.00000
756 0.0467 0.00000
757 0.0115 0.00000
758 -0.0211 0.00000
759 0.0172 0.00000
760 -0.0521 0.00000
761 0.0366 0.00000
762 0.0257 0.00000
763 -0.0387 0.00000
764 0.0277 0.00000
765 0.0445 0.00000
766 -0.0023 0.00000
767 -0.0507 0.00000
768 0.0190 0.00000
769 0.0148 0.00000
770 -0.0120 0.00000
771 -0.0017 0.00000
772 0.0072 0.00000
773 -0.1040 0.00000
774 -0.0132 0.00000
775 0.0002 0.00000
776 0.0678 0.00000
777 0.0030 0.00000
778 -0.0427 0.00000
779 -0.0838 0.00000
780 0.0063 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 7 DIRECTION 2 (eV/Angst):
-----------------------------------------------------------------------------
-4.88925 -1.37510 -1.19757
-1.37552 2.13918-20.37054
-1.19777-20.37071 -9.17026
POSITION FORCE-CONSTANT FOR ION 7 DIRECTION 2 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 0.001812 -0.009575 -0.054961
4.30302 2.15352 7.05746 -0.816153 0.122400 0.388185
1.30883 4.06731 2.03161 -0.016180 -0.099093 0.021485
3.96992 4.32885 4.13194 0.045816 -0.302960 0.027889
1.29275 3.05683 8.10201 -0.570958 1.293643 3.677673
3.79636 1.47547 14.70421 -0.069082 0.058735 -0.148134
1.24643 4.63551 10.86193 -0.596493 -33.684095 -1.967200
3.89005 4.20092 12.88287 -0.415129 0.128856 -0.295108
1.04482 6.69020 17.44020 0.034242 -0.083044 0.037301
3.77370 7.04599 6.61024 0.863099 -0.325095 -0.899555
0.71312 9.21049 2.53845 0.012480 0.016933 -0.088721
3.86880 9.70388 4.59023 0.012635 0.200987 -0.156849
1.19399 7.29663 8.75952 0.005751 4.235481 -3.897616
4.14925 6.52609 15.71477 -0.025133 -0.103147 0.014359
1.16791 10.19708 10.50563 -0.010169 1.351357 0.553684
3.90202 11.30466 11.97145 0.265774 0.240504 0.168946
1.41963 13.48240 16.88000 0.010932 0.071098 0.039744
3.89470 12.50036 6.39588 0.036846 0.161074 -0.029821
1.24092 15.65995 2.03746 -0.046020 0.087075 0.041054
3.45676 13.88732 3.60018 -0.021689 0.097542 -0.031426
1.37686 12.90671 8.69683 0.048478 0.449469 -0.073289
4.20896 12.98001 14.89140 0.029565 0.151268 0.070233
1.28271 15.54574 11.35729 -0.044305 0.410589 -0.164749
4.02704 16.14416 13.12883 -0.091012 0.120975 -0.071015
8.51844 2.13686 0.32759 -0.000990 -0.001648 -0.008342
10.42520 1.68659 6.72748 0.026885 -0.002069 0.068761
6.89192 4.41938 2.41726 -0.016507 -0.044911 0.013589
10.22536 4.35381 4.16682 0.000939 -0.060906 0.000817
7.19238 2.15284 8.75827 -0.192094 -0.032161 -0.101708
10.67141 2.29852 15.08728 0.014848 -0.025834 -0.008642
7.24075 4.59797 11.01224 -0.019975 -0.209175 0.072696
10.30176 4.56419 12.61212 0.004786 -0.066353 -0.019821
6.40057 6.85176 0.36515 0.016355 -0.051252 0.009617
9.75325 6.62606 6.90745 0.043614 -0.081773 -0.019082
6.24007 9.67823 1.67645 0.025620 -0.014628 -0.059074
6.65558 7.06042 8.79421 0.210946 -0.064891 0.092069
11.80692 6.94639 14.05727 -0.028551 -0.056997 0.001634
6.39955 9.97659 10.34026 0.126912 0.093631 -0.011987
11.03265 10.16848 13.84914 -0.009611 -0.006838 0.037333
6.77345 12.10505 16.99256 0.008975 0.043343 -0.003110
10.32223 13.09442 6.99099 0.027260 0.059454 -0.005736
10.59365 15.96480 4.77521 -0.001648 0.046210 -0.001262
6.94250 12.79247 7.88185 0.043582 0.075044 -0.021101
10.18654 12.31147 16.08279 -0.001383 0.039422 0.005290
7.13888 17.01345 11.20310 -0.063185 0.040133 -0.013356
10.37682 0.23169 12.64835 -0.001458 0.005126 -0.020539
13.24904 1.54346 17.14370 0.048405 0.005475 -0.043687
15.89410 1.64185 6.44545 0.523349 -0.125929 0.405862
12.98857 4.28042 2.14546 -0.004991 -0.037301 0.000620
15.96785 4.32998 4.48967 -0.024332 -0.422195 0.023884
13.27097 1.52537 8.57426 0.229957 0.003739 -0.095427
16.03461 1.53130 15.21659 0.071375 0.043241 -0.131470
13.37701 3.97590 10.80799 0.103618 -0.262820 0.061302
16.23421 4.17555 13.11475 0.529488 0.175306 -0.531361
13.12188 6.75851 16.83328 -0.018195 -0.045083 0.010506
16.15350 6.82329 6.57280 -0.856201 -0.522900 -0.947874
13.80451 11.28726 3.11364 -0.059537 0.090477 -0.041955
16.01530 9.31599 4.57229 -0.005615 0.166504 -0.236613
16.24774 6.95131 14.97400 -0.132293 -0.381496 0.063894
13.37358 11.10317 11.33384 -0.126922 0.134967 -0.032011
16.26481 10.28310 12.82929 -0.242113 0.152618 0.223888
13.02958 12.87265 0.34345 -0.015672 0.075438 0.014098
15.63587 13.81058 6.90598 -0.001578 0.124420 -0.047738
13.11026 15.86276 1.91698 0.025776 0.049552 0.026528
16.04847 15.98249 4.25314 0.005861 0.199331 0.026448
12.92950 13.50280 9.01948 -0.018720 0.116216 -0.025417
16.03470 13.24150 15.21399 -0.035873 0.182557 0.003463
13.00717 16.52927 10.76204 0.065463 0.095803 -0.025211
15.92967 15.85673 13.13419 0.091219 0.149267 -0.096531
1.86054 17.36365 1.29865 0.002350 -0.010069 0.007481
4.17830 2.73136 5.21241 0.082155 0.062347 -0.136730
3.26426 5.75851 5.24301 -0.102909 0.186190 0.145037
17.49829 1.67854 7.58538 -0.222140 -0.233803 -0.498663
1.16532 17.05709 10.27678 0.004032 -0.167145 0.118584
3.43296 5.28736 14.40974 0.073042 0.053651 0.165695
5.78979 4.58179 12.35127 0.056191 -0.012547 0.012636
2.66622 1.96025 16.18884 0.002524 0.007624 0.031960
17.32027 0.89679 16.51550 -0.004386 0.000610 0.025588
0.46199 8.18893 0.93413 -0.004038 0.017454 0.014166
5.39231 10.11127 3.40660 -0.010053 -0.017702 0.035299
2.32066 9.80687 3.44943 -0.010186 -0.013018 0.034809
4.91964 7.92130 14.71679 0.015451 0.021748 0.007358
2.68710 7.23238 16.69438 -0.002208 0.031511 0.006255
0.01020 10.88204 2.02154 0.001623 -0.009300 0.019146
4.21835 0.28129 6.98759 0.107789 -0.047778 -0.072814
17.23783 13.81793 8.03064 0.008287 -0.063801 0.007149
4.79582 14.66186 14.12172 0.002364 -0.051136 0.016019
1.82404 14.00413 10.26937 0.017109 -0.180949 -0.019615
5.26768 16.92854 11.79676 0.036121 -0.014994 0.017740
10.96027 2.96124 5.34122 -0.006313 0.026842 -0.020144
6.97457 3.04582 1.08259 0.000727 0.014056 0.004852
10.16898 6.05361 5.08582 -0.013437 0.032628 0.015174
8.34039 4.05066 3.68939 0.006716 0.021078 -0.001706
8.74489 2.42632 7.55292 0.032424 0.008390 -0.009224
7.18775 0.35634 9.46384 0.033290 -0.012115 0.013294
11.47395 4.04892 11.19556 -0.011883 0.044846 -0.004967
9.15080 2.77757 16.12393 -0.002292 0.007802 0.002071
7.98734 0.36277 0.04247 -0.001339 0.003149 0.000496
8.09306 7.37877 7.53063 -0.050925 0.013702 0.010975
5.20414 6.37683 7.73407 -0.146116 0.100675 0.040281
12.25313 11.32613 12.87115 0.019191 -0.008082 -0.009304
7.88582 9.71337 11.41294 -0.018697 -0.007641 0.001316
7.90588 7.26091 16.85699 -0.001577 0.008627 -0.001658
11.07224 14.64349 6.08452 -0.005533 -0.015724 0.009592
9.97410 0.03402 5.82220 0.003033 -0.006503 -0.014434
11.77786 16.49122 3.26041 -0.002927 -0.002882 -0.000678
6.65717 11.67689 9.40508 -0.023998 -0.035037 0.019137
7.76961 15.24886 11.07941 0.018870 -0.012584 0.000512
8.52712 0.41686 12.29829 0.014737 -0.004452 0.007172
13.11181 17.12784 0.26607 -0.008382 -0.006258 0.008966
13.20693 2.50512 1.34897 -0.003698 0.015302 0.008882
17.29335 3.71694 3.19979 0.009943 0.037872 -0.014784
14.20035 4.69758 3.69278 0.007255 0.056472 0.009296
14.59997 3.56179 12.23787 -0.071199 -0.021332 0.032225
13.57708 5.48481 0.72232 0.006124 0.024475 -0.015554
12.29749 8.18631 0.22048 0.005406 0.013104 -0.005322
16.86596 10.59176 5.62457 -0.007562 -0.025759 0.025844
16.66958 8.43890 13.63905 0.063071 0.049832 -0.064656
16.67265 11.67449 14.15979 0.033112 -0.082986 -0.052285
14.70756 7.45696 15.98014 0.053554 0.064726 -0.028959
16.06899 0.34084 4.92526 -0.087839 -0.041308 -0.100904
14.63768 15.41566 3.05858 -0.009211 -0.025772 -0.012633
12.21694 15.07373 9.87203 -0.003290 -0.032667 -0.008702
15.65466 0.14914 13.86557 -0.026883 -0.017723 0.007995
14.35754 15.71932 11.91759 -0.024183 -0.021497 0.006628
14.30081 12.83268 16.21967 0.012769 -0.022349 -0.013928
8.77223 10.39607 2.47225 0.004290 0.009586 -0.000162
12.91187 8.54216 10.48161 -0.030913 0.024766 -0.009731
8.49467 15.82840 2.99445 0.000979 0.006723 0.002322
1.32045 2.68577 1.08043 0.001125 0.058070 0.035963
5.44581 4.42337 3.31859 0.019740 0.074291 -0.018695
2.71895 4.15019 2.95898 0.012372 0.087059 0.015724
2.89361 2.63574 7.84048 1.158136 -0.371272 -0.901551
3.72928 2.61904 13.46082 0.093656 0.166200 0.020338
1.12195 3.42722 9.72736 0.710543 11.459215 7.267677
2.69176 4.49808 11.70258 -0.810199 3.365944 -0.481746
1.13271 5.33613 0.95032 -0.006799 0.094268 -0.051709
4.03043 8.42197 5.67301 -0.116639 -0.152945 0.291938
3.75157 11.03623 5.64253 -0.020098 -0.101312 0.004842
2.52170 7.25791 7.75547 -1.263575 -0.288475 1.587634
17.39856 7.13193 7.68295 1.166724 -0.159402 1.599360
1.18188 6.06412 9.94036 -0.383774 10.031236 -3.950410
1.18202 8.73358 9.65531 -0.004662 -1.690664 -0.263052
3.91098 11.84592 13.59643 -0.042064 -0.116674 -0.142037
5.12928 10.31683 11.41789 -0.101716 -0.047354 0.006268
2.50977 10.51875 11.46580 -0.275140 -0.311714 -0.201893
17.45087 6.59897 16.12377 -0.005336 0.075721 -0.039769
3.55980 13.67281 5.25157 0.006953 -0.070247 0.045290
1.28803 14.62748 0.64715 0.007681 -0.063154 -0.052397
4.98905 14.24610 3.11864 -0.001837 -0.024049 0.004505
2.40264 15.06164 3.08512 0.038155 -0.060195 0.012831
2.72172 12.72875 7.62075 -0.016612 -0.086068 0.017335
1.06333 11.39589 9.35618 -0.026987 -0.602689 0.179174
3.61212 17.43666 14.11103 0.038329 -0.049841 0.031146
2.61877 15.69429 12.36150 0.079942 -0.101371 0.068635
2.80206 13.36593 15.83914 -0.002327 -0.030999 -0.006924
17.47316 13.58140 16.05649 -0.025038 -0.047489 -0.027015
9.77890 2.08644 1.42003 0.002166 0.009288 0.005370
11.39452 4.37239 2.86549 0.004027 0.026693 0.000827
5.75314 2.47184 7.89843 0.289446 0.026187 0.064115
10.58974 3.42804 13.84178 -0.008505 0.031481 -0.007491
7.29963 3.26088 10.01774 0.035367 0.102341 0.053917
10.61644 6.04073 13.30213 0.025425 0.060130 0.021174
8.72282 4.57356 11.93667 0.009022 0.038639 -0.003388
6.87268 5.85394 1.60201 -0.004663 0.050680 -0.025062
10.69996 7.99849 7.09252 0.006114 0.023132 0.014425
5.73707 8.23825 1.01832 -0.010562 0.040155 0.021012
10.63831 11.82289 5.95914 0.000299 -0.022846 -0.006192
12.27791 10.92294 3.59234 0.016123 -0.012829 0.001890
7.82470 9.40720 2.06031 -0.017210 0.009194 0.010082
7.06519 5.95381 10.03323 -0.061795 0.160436 -0.127617
11.49637 8.56646 14.11248 0.001192 0.035518 -0.010969
6.22218 8.54831 9.46647 -0.092377 -0.018791 -0.010921
10.64255 10.88430 15.28736 0.008832 -0.017018 -0.024721
5.27533 6.08183 16.89617 -0.001553 0.042791 -0.007994
6.19392 10.87447 0.49133 -0.010051 -0.019544 0.028055
6.63594 13.50144 0.40946 0.003275 -0.018267 -0.007253
9.20318 15.33527 4.12194 -0.003473 -0.011024 -0.002952
8.65369 12.87516 7.41323 -0.034874 -0.025181 0.011112
5.50203 12.61795 6.94111 -0.030491 -0.038715 -0.004042
10.10713 13.64215 15.27789 0.001634 -0.019153 0.002919
10.67911 0.87544 14.08625 0.001254 0.019389 0.021994
11.60356 17.20368 11.75834 -0.012951 -0.007910 0.008450
8.39118 11.91622 16.60701 -0.006244 -0.007573 0.000958
5.50451 12.34914 15.80657 -0.003077 -0.027096 -0.002732
15.73327 3.04046 5.55542 -0.094307 0.284868 -0.253852
16.46394 5.60663 5.46979 0.054867 0.422616 0.306890
14.52808 1.45286 7.47168 -0.263961 -0.001260 0.048844
11.79275 1.56088 7.78873 -0.097934 0.012608 -0.037135
13.32704 0.21681 9.64565 -0.055029 -0.061005 0.052012
16.41790 2.90736 14.26355 -0.060402 0.020022 0.053060
13.45171 2.82808 9.57211 -0.080246 0.091310 0.044135
16.10069 5.57752 13.99343 -0.130924 0.508508 0.399458
0.00005 4.40711 11.99025 0.899622 3.360583 -0.942381
14.62884 1.73967 16.17160 -0.063059 0.004021 0.058889
11.98368 2.03831 16.06725 -0.014348 0.009511 0.006545
15.63239 8.11986 5.68103 0.144633 -0.135427 0.285922
17.11138 8.55854 3.60414 -0.041057 -0.010556 0.096633
14.79559 9.98222 3.60061 0.079403 -0.080927 0.079569
14.83832 6.40254 7.47085 0.241378 0.156224 0.062210
10.26118 5.42988 7.96507 0.005707 0.053293 -0.033675
13.84142 5.42996 10.14226 0.052523 0.167958 -0.083220
12.90067 9.94534 10.26834 0.028702 -0.034255 -0.007375
17.40760 10.25314 11.57387 0.245267 -0.205640 -0.325616
14.84553 10.65634 12.01294 0.154242 -0.075405 0.016953
12.09160 6.31793 15.56215 0.012097 0.027706 -0.000706
13.66330 11.76838 1.50243 0.015577 -0.030882 0.030471
15.90808 14.97969 5.66759 -0.020560 -0.118973 0.066051
12.90234 14.38066 1.10662 -0.004035 -0.067259 -0.035386
17.39979 15.79595 3.12260 0.036994 -0.045946 -0.048580
14.24465 13.87010 7.98683 0.001405 -0.038025 0.001261
11.50975 12.98027 8.22780 -0.004006 -0.032531 0.001054
13.37751 12.44417 10.26044 0.029005 -0.092403 0.055814
15.76289 14.59733 14.23402 -0.006198 -0.151634 0.087724
17.35248 15.55367 12.27553 -0.090143 -0.098057 0.091260
11.51892 12.39014 17.28946 0.003939 -0.009695 -0.003126
2.14782 0.44560 2.19550 -0.001804 -0.001851 0.004169
3.29477 2.11300 4.94555 0.003837 0.023421 0.028161
2.45654 5.15830 5.71352 -0.001693 -0.042236 0.007716
17.13665 1.28635 8.55333 0.065057 0.148384 0.029685
2.05496 17.16622 9.63831 -0.013065 0.031215 0.004841
2.76007 4.61458 14.97268 -0.001518 0.014487 -0.000690
5.82104 5.64963 12.65472 -0.000176 0.008775 0.015596
1.99867 2.73895 15.76239 -0.002468 -0.006958 -0.012311
16.62702 0.41219 17.23014 0.000674 0.000999 0.005322
0.53299 8.97932 0.15968 0.000472 0.008926 0.006027
6.28070 9.99466 4.05905 0.003279 0.006904 -0.001700
2.80484 10.34140 2.60493 0.002778 -0.002425 0.008361
5.85876 7.59725 14.24081 -0.003502 0.000666 0.001298
2.33378 8.07412 16.06384 -0.000141 0.017020 0.006115
0.72196 11.42800 1.39191 0.000690 0.005547 0.000955
4.17641 17.36384 8.00554 -0.011430 0.033536 0.002093
0.17664 14.81238 7.80592 0.004707 -0.009898 0.008080
5.28314 15.15948 14.98492 -0.001657 -0.003210 0.001492
1.99589 13.21868 11.02572 0.018587 -0.007861 0.004369
4.90269 16.46159 10.85427 -0.004344 0.015836 0.000632
11.44760 2.27402 4.62061 0.002184 0.008829 -0.000178
6.42001 2.18281 1.50214 -0.000452 0.007369 0.001267
11.20298 6.44871 5.00937 0.000314 0.005915 0.000480
8.23943 2.94593 3.71752 0.000601 0.009368 0.001459
9.07830 3.43667 7.86385 0.005281 -0.002494 -0.001811
8.13841 17.45818 9.05432 0.006890 0.000962 -0.000529
11.09062 4.59939 10.31069 -0.011137 -0.001091 -0.000324
8.29143 2.75175 15.42638 -0.000655 0.002733 0.000620
8.82941 17.22992 17.22214 0.001532 0.005610 0.000099
7.50840 7.62286 6.62087 0.007978 0.009315 -0.009062
4.60511 5.74329 8.41778 0.047613 -0.074847 -0.013709
12.92668 11.75537 13.63632 -0.002327 0.006659 0.002096
8.02117 10.55523 12.10517 -0.001630 0.004228 -0.002358
8.67556 7.71636 17.49570 -0.000050 0.004125 -0.000697
11.47875 15.24589 6.91703 -0.001678 0.003572 -0.001489
9.35972 16.97903 6.56192 -0.001783 0.008407 0.001082
11.03713 17.07922 2.67792 -0.001993 0.002369 0.001118
7.42775 12.08916 10.09180 -0.003429 0.001123 -0.000741
7.92017 14.83580 12.09082 0.000383 0.003471 0.000534
8.50905 1.48718 11.99359 -0.002344 0.001241 -0.003370
13.83892 16.58967 17.12637 0.001520 0.009212 -0.000638
14.18064 2.16404 1.76300 -0.001801 0.004529 0.001068
0.22637 2.85420 3.74771 -0.007106 0.023577 0.012461
13.55731 4.46328 4.56374 0.002371 -0.003874 -0.001835
13.93368 3.48067 13.12140 -0.017807 0.000997 0.006129
14.29477 4.78199 0.25086 -0.002262 0.003861 0.000086
12.05112 9.01860 17.04503 -0.001054 0.006270 0.001944
16.27694 10.80430 6.52497 -0.006463 0.023308 -0.004306
16.72250 7.84092 12.70809 -0.058150 -0.013808 0.002113
0.08131 12.14367 13.72814 0.000692 0.010456 0.003436
15.18747 8.06134 16.77823 -0.009403 0.012635 0.007175
15.33129 0.80027 4.23469 -0.002657 -0.018176 -0.047391
15.22283 14.74953 2.39790 -0.003609 -0.000682 -0.005109
11.52991 14.60593 10.60396 -0.004409 0.004374 -0.000115
14.54913 0.08259 13.94141 -0.007441 0.001456 0.005447
13.64918 15.17179 12.57877 -0.005609 -0.000463 0.000711
14.26990 11.73639 16.04700 -0.007478 -0.002749 0.000305
2.83011 17.00291 0.89614 0.001906 0.007034 -0.002372
5.01762 2.19884 4.72481 0.001007 0.017985 -0.048863
2.72197 6.40768 4.52960 0.001658 0.018791 -0.010265
0.61592 0.85326 7.17988 -0.043037 -0.065196 -0.060564
1.05804 0.47662 10.87149 0.020672 0.058925 -0.070991
2.72869 6.02833 13.97220 0.011637 0.001417 0.042986
6.27365 4.07474 13.21275 0.026836 0.012197 -0.010254
3.39789 2.54642 16.78232 0.001640 0.002250 0.007021
0.26647 0.03376 15.97352 0.001345 0.010761 -0.004844
16.86896 8.04953 1.06168 -0.001632 0.003212 -0.000145
5.26691 11.21282 3.35522 -0.007923 0.002109 0.006526
1.79651 10.63408 3.97172 0.005909 0.009664 -0.003369
4.24367 8.25477 13.91418 -0.000178 0.015976 0.000911
3.20146 7.72932 0.04071 -0.004233 0.011718 0.000524
17.29565 11.52683 2.88643 -0.000753 0.011897 -0.004560
5.09458 17.34903 6.48077 0.011586 -0.033416 -0.008096
16.80060 13.95067 9.04167 0.004794 0.013632 -0.001164
5.65314 14.35380 13.49055 0.004110 0.005607 0.001594
2.85103 14.37043 10.06567 -0.015321 0.006342 -0.005619
4.88020 0.46410 11.72901 -0.013717 -0.007737 -0.005121
11.82432 3.49932 5.78478 0.004333 -0.001979 0.001688
6.33916 3.40343 0.25044 -0.000244 0.000436 -0.000563
9.59394 6.71839 4.41200 0.002035 0.006069 -0.002559
7.91802 4.38505 4.66043 -0.000832 -0.002045 0.001569
8.23543 2.62518 6.58554 -0.008675 0.000091 0.004821
6.41431 17.32071 8.88054 -0.008864 0.019335 0.000983
11.14557 3.00954 10.98712 0.009197 0.010096 -0.000372
9.36027 3.86210 16.23230 -0.000233 0.004069 0.000817
7.53966 17.41529 0.94072 -0.000494 0.005019 0.001096
8.48774 8.36338 7.84778 -0.006009 0.006025 0.002787
5.72768 5.64505 7.08615 -0.057178 0.018316 0.005945
11.53162 12.14308 12.66419 0.007535 0.004160 -0.004425
7.77778 8.79967 12.01567 0.005310 0.002288 0.002595
7.67148 7.97660 16.05599 0.002238 0.005689 -0.000927
11.96712 14.11387 5.69832 0.001180 0.004155 0.000616
9.20674 0.45352 5.13285 -0.002481 -0.000538 0.000509
12.42086 17.27854 3.71166 0.001536 -0.000893 0.000377
5.72984 12.20671 9.71226 0.005722 0.010235 -0.000412
7.06651 14.59485 10.54611 -0.003885 0.008754 0.000260
8.18003 0.43236 13.34917 -0.001491 0.004678 -0.000050
12.13433 16.79403 17.35819 -0.001376 0.004887 -0.001285
12.47800 1.85419 1.86970 0.000797 0.007509 0.003409
16.61133 3.22326 2.47663 -0.002920 0.012243 0.000893
14.18380 5.80672 3.64923 -0.016371 0.014264 -0.009189
14.87276 2.50739 12.03337 0.014809 0.032058 -0.027511
14.23243 6.19147 1.27631 0.002867 0.004836 0.001741
12.93327 8.58137 1.02753 -0.000504 0.004652 0.000045
0.31818 10.15222 5.96061 0.017982 0.016560 -0.013084
0.23893 8.66414 13.84372 0.013103 0.026035 0.026363
17.08408 11.06555 14.99139 0.004364 0.000301 -0.000912
14.24371 8.22849 15.33189 -0.011485 0.014103 0.005721
17.03243 0.72423 4.52831 -0.001042 -0.001895 0.019891
14.06257 14.70897 3.69175 -0.005609 0.001008 -0.001550
11.55248 15.52990 9.11606 0.001750 0.001811 0.000410
15.79992 0.71375 12.92180 0.026278 -0.000814 0.006746
14.66771 14.92743 11.20480 0.002754 0.007433 -0.002519
13.59723 13.22883 15.45681 0.003281 0.007651 0.001277
0.28893 16.96969 9.61776 0.001307 0.020163 -0.009194
5.14861 8.79609 15.34428 -0.002175 0.011052 -0.008390
16.57887 10.76457 1.44815 0.001244 0.003138 0.001516
3.32280 17.43531 6.45000 -0.003366 0.024777 0.009886
7.22345 0.33037 16.74849 -0.000271 0.005591 0.000258
8.80270 9.61454 10.81195 -0.004160 0.004733 -0.001340
8.32656 6.35754 16.39008 -0.002771 0.004212 0.002226
8.73549 15.20213 10.55252 0.002635 0.001529 -0.000202
11.35757 7.84337 0.68199 0.002248 0.000488 -0.001956
17.07689 11.54135 5.11708 -0.001135 -0.008726 0.008946
1.05898 4.30352 7.32607 0.044809 0.125680 -0.679205
4.03509 12.56543 11.20951 -0.029390 -0.033654 -0.005543
2.98241 12.61908 2.99845 0.000741 -0.008660 0.002343
13.02951 6.77394 13.23542 0.004152 0.011668 -0.001082
9.81405 10.04557 13.02717 0.001399 0.005312 -0.004333
14.38062 12.44509 3.83928 0.005346 -0.009297 0.000626
15.29130 12.60070 6.14349 -0.002648 -0.013923 0.002377
1.51212 12.17674 0.04632 -0.001258 -0.007217 -0.001676
5.20365 1.54821 15.21091 0.009332 0.000373 0.012350
6.79297 14.20253 8.32851 -0.002420 -0.016365 0.001386
11.61515 7.96197 6.76612 -0.016995 0.000482 -0.007032
10.25461 10.96603 6.21744 -0.000400 0.007768 -0.001274
11.90891 11.26603 4.43245 -0.005284 0.010767 0.003324
8.53540 10.78259 3.48001 0.001187 0.004989 0.000251
9.76681 9.93079 2.50215 -0.001039 0.002990 0.000004
8.80784 11.23977 1.76494 -0.000345 0.003223 0.001476
14.97448 6.01037 8.35394 -0.110505 -0.095664 0.021894
10.93413 4.83383 7.59381 -0.006583 -0.013323 0.000306
13.14865 5.92816 9.67432 -0.017270 -0.016328 0.012885
12.65000 8.06887 9.52187 -0.002792 0.001418 0.002610
13.90414 8.18239 10.79823 -0.000518 -0.003181 0.014211
12.16474 8.24325 11.23577 0.013918 -0.002252 -0.002360
5.27827 14.04824 2.20496 -0.001450 0.011228 0.001126
10.20084 2.92381 1.69633 -0.001064 -0.001053 -0.002366
7.46833 14.00510 0.41146 -0.000366 0.010315 0.000817
7.48179 15.39929 3.01468 -0.000616 0.006656 0.001210
8.41010 16.93048 3.00754 -0.001069 0.000441 0.000437
8.99741 15.53505 2.05618 0.001618 0.004308 -0.001101
-----------------------------------------------------------------------------------
total drift: -0.000000 -0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 7 DIRECTION 2 : 0.030 3.070 -0.145
rigid augmentation : 0.000 0.174 0.000
ionic contribution : 0.000 4.000 0.000
Berry contribution : 0.030 -1.103 -0.145
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 21/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 24( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258994; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258910; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01028268
-V(xc)+E(xc) XCENC = 0.01917029
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.04187316
---------------------------------------------------
free energy TOTEN = -0.03298555 eV
energy without entropy = -0.03298555
----------------------------------------- Iteration 24( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258994; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258910; 1190.000000 electrons
Band energy:-0.912016E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11057E+01 rms(broyden)= 0.11043E+01
rms(prec ) = 0.11887E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01028268
-V(xc)+E(xc) XCENC = 0.01917029
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01529802
---------------------------------------------------
free energy TOTEN = -0.00641041 eV
energy without entropy = -0.00641041
----------------------------------------- Iteration 24( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258977; 1190.000000 electrons
Band energy:-0.912012E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258928; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.66052E+00 rms(broyden)= 0.66039E+00
rms(prec ) = 0.72035E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.3916
2.3916
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00937990
-V(xc)+E(xc) XCENC = 0.01624392
PAW double counting = 0.01465058 -0.01465339
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01514435
---------------------------------------------------
free energy TOTEN = -0.00828315 eV
energy without entropy = -0.00828315
----------------------------------------- Iteration 24( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258474; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258949; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10997E+00 rms(broyden)= 0.10976E+00
rms(prec ) = 0.14808E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9382
1.4504 2.4260
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00843509
-V(xc)+E(xc) XCENC = 0.01416405
PAW double counting = 0.08676736 -0.08678308
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01527265
---------------------------------------------------
free energy TOTEN = -0.00955943 eV
energy without entropy = -0.00955943
----------------------------------------- Iteration 24( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258420; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259163; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.61875E-01 rms(broyden)= 0.61823E-01
rms(prec ) = 0.85349E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7433
2.5891 1.8739 0.7670
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00806385
-V(xc)+E(xc) XCENC = 0.01364570
PAW double counting = 0.09071573 -0.09073097
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01550568
---------------------------------------------------
free energy TOTEN = -0.00993908 eV
energy without entropy = -0.00993908
----------------------------------------- Iteration 24( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258420; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259163; 1190.000000 electrons
Band energy:-0.912019E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.29551E-01 rms(broyden)= 0.29526E-01
rms(prec ) = 0.45787E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7409
2.8099 2.2045 1.1200 0.8292
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00794856
-V(xc)+E(xc) XCENC = 0.01351015
PAW double counting = 0.09264126 -0.09265691
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01555667
---------------------------------------------------
free energy TOTEN = -0.01001072 eV
energy without entropy = -0.01001072
----------------------------------------- Iteration 24( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258419; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259164; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.16532E-01 rms(broyden)= 0.16518E-01
rms(prec ) = 0.25878E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9261
3.4345 2.4552 1.8735 0.9337 0.9337
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00790754
-V(xc)+E(xc) XCENC = 0.01352080
PAW double counting = 0.09228212 -0.09229776
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01556142
---------------------------------------------------
free energy TOTEN = -0.00996379 eV
energy without entropy = -0.00996379
----------------------------------------- Iteration 24( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258419; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259164; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.55885E-02 rms(broyden)= 0.55711E-02
rms(prec ) = 0.87770E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9054
3.8171 2.4486 1.9869 1.2892 0.9454 0.9454
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00789596
-V(xc)+E(xc) XCENC = 0.01360096
PAW double counting = 0.09170176 -0.09171729
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01554692
---------------------------------------------------
free energy TOTEN = -0.00985746 eV
energy without entropy = -0.00985746
----------------------------------------- Iteration 24( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258420; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259163; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.32437E-02 rms(broyden)= 0.32378E-02
rms(prec ) = 0.46433E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0451
4.5991 2.6831 2.4526 1.7637 0.8951 0.8951 1.0267
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00789349
-V(xc)+E(xc) XCENC = 0.01360976
PAW double counting = 0.09180148 -0.09181708
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553970
---------------------------------------------------
free energy TOTEN = -0.00983903 eV
energy without entropy = -0.00983903
----------------------------------------- Iteration 24( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258420; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259163; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10555E-02 rms(broyden)= 0.10518E-02
rms(prec ) = 0.16171E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0016
4.7099 3.0194 2.4148 1.8208 1.2580 0.9155 0.9155 0.9591
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00789281
-V(xc)+E(xc) XCENC = 0.01361029
PAW double counting = 0.09189764 -0.09191323
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553448
---------------------------------------------------
free energy TOTEN = -0.00983258 eV
energy without entropy = -0.00983258
----------------------------------------- Iteration 24( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258421; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259162; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.57457E-03 rms(broyden)= 0.57361E-03
rms(prec ) = 0.86485E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9998
4.9140 3.1452 2.4626 2.0318 1.7253 1.0053 0.9311 0.9311 0.8524
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00789206
-V(xc)+E(xc) XCENC = 0.01360751
PAW double counting = 0.09190490 -0.09192049
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01553010
---------------------------------------------------
free energy TOTEN = -0.00983023 eV
energy without entropy = -0.00983023
----------------------------------------- Iteration 24( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258421; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259162; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.26106E-03 rms(broyden)= 0.26073E-03
rms(prec ) = 0.41859E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0381
5.0875 3.4081 2.7484 2.3306 1.7926 1.3470 0.9667 0.9230 0.9230 0.8541
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00789175
-V(xc)+E(xc) XCENC = 0.01360575
PAW double counting = 0.09191576 -0.09193135
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01552846
---------------------------------------------------
free energy TOTEN = -0.00983006 eV
energy without entropy = -0.00983006
----------------------------------------- Iteration 24( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258421; 1190.000000 electrons
Band energy:-0.912009E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259162; 1190.000000 electrons
Band energy:-0.912020E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11636E-03 rms(broyden)= 0.11614E-03
rms(prec ) = 0.17990E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0349
5.1171 3.8341 2.7800 2.4762 1.8759 1.6288 1.0029 1.0029 0.9194 0.9194
0.8268
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00789190
-V(xc)+E(xc) XCENC = 0.01360524
PAW double counting = 0.09191276 -0.09192835
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01552636
---------------------------------------------------
free energy TOTEN = -0.00982861 eV
energy without entropy = -0.00982861
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.1134 0.00000
5 0.8199 0.00000
6 0.2367 0.00000
7 0.0513 0.00000
8 0.0444 0.00000
9 0.5514 0.00000
10 0.2613 0.00000
11 -0.1932 0.00000
12 0.1252 0.00000
13 -0.0400 0.00000
14 0.0249 0.00000
15 -0.0630 0.00000
16 -0.0868 0.00000
17 -0.0604 0.00000
18 0.0530 0.00000
19 0.0115 0.00000
20 -0.0181 0.00000
21 0.0582 0.00000
22 0.0199 0.00000
23 0.0623 0.00000
24 -0.2216 0.00000
25 0.3108 0.00000
26 0.0669 0.00000
27 0.1223 0.00000
28 0.0859 0.00000
29 -0.1013 0.00000
30 -0.0707 0.00000
31 -0.3548 0.00000
32 -0.0947 0.00000
33 0.1148 0.00000
34 0.1278 0.00000
35 0.1002 0.00000
36 0.0816 0.00000
37 0.0321 0.00000
38 0.1294 0.00000
39 0.0481 0.00000
40 0.0199 0.00000
41 0.4355 0.00000
42 -0.2644 0.00000
43 0.2679 0.00000
44 -0.0667 0.00000
45 -0.0648 0.00000
46 -0.2050 0.00000
47 -0.3710 0.00000
48 0.1371 0.00000
49 -0.0045 0.00000
50 -0.7759 0.00000
51 -0.1350 0.00000
52 0.3383 0.00000
53 0.0179 0.00000
54 0.0945 0.00000
55 0.2595 0.00000
56 -0.1201 0.00000
57 0.0158 0.00000
58 0.6974 0.00000
59 0.3949 0.00000
60 -0.7851 0.00000
61 0.1943 0.00000
62 -0.0884 0.00000
63 -0.0229 0.00000
64 0.3267 0.00000
65 0.5687 0.00000
66 -0.0902 0.00000
67 -0.9318 0.00000
68 0.5965 0.00000
69 0.1319 0.00000
70 0.2031 0.00000
71 0.3521 0.00000
72 0.1039 0.00000
73 0.1436 0.00000
74 0.1230 0.00000
75 -0.0551 0.00000
76 -0.0440 0.00000
77 -0.0300 0.00000
78 0.2053 0.00000
79 -0.2162 0.00000
80 -0.1156 0.00000
81 -0.1592 0.00000
82 0.0872 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0581 0.00000
90 0.0318 0.00000
91 -0.1133 0.00000
92 -0.0366 0.00000
93 -0.1074 0.00000
94 -0.2205 0.00000
95 -0.3230 0.00000
96 -0.2967 0.00000
97 0.0080 0.00000
98 0.1655 0.00000
99 0.2049 0.00000
100 -0.3211 0.00000
101 0.2216 0.00000
102 0.3102 0.00000
103 0.1222 0.00000
104 -0.0033 0.00000
105 0.0488 0.00000
106 -0.1133 0.00000
107 -0.3735 0.00000
108 0.0328 0.00000
109 -0.1072 0.00000
110 -0.0019 0.00000
111 -0.1459 0.00000
112 0.1504 0.00000
113 -0.0599 0.00000
114 0.0877 0.00000
115 -0.0011 0.00000
116 -0.1292 0.00000
117 0.0280 0.00000
118 -0.1213 0.00000
119 0.0391 0.00000
120 0.0894 0.00000
121 0.2332 0.00000
122 0.0512 0.00000
123 -0.0754 0.00000
124 0.0157 0.00000
125 -0.0483 0.00000
126 0.1630 0.00000
127 -0.1019 0.00000
128 0.0021 0.00000
129 -0.1610 0.00000
130 0.0224 0.00000
131 0.1548 0.00000
132 -0.1286 0.00000
133 -0.0948 0.00000
134 0.0644 0.00000
135 -0.0401 0.00000
136 0.0468 0.00000
137 -0.4217 0.00000
138 0.1981 0.00000
139 0.0327 0.00000
140 -0.0616 0.00000
141 0.0120 0.00000
142 -0.1083 0.00000
143 -0.0594 0.00000
144 -0.1200 0.00000
145 -0.1572 0.00000
146 -0.1087 0.00000
147 -0.0079 0.00000
148 0.0049 0.00000
149 0.5786 0.00000
150 -0.0011 0.00000
151 -0.0936 0.00000
152 0.0407 0.00000
153 -0.1993 0.00000
154 -0.0739 0.00000
155 0.0691 0.00000
156 -0.2191 0.00000
157 -0.0214 0.00000
158 0.0909 0.00000
159 0.0701 0.00000
160 -0.0708 0.00000
161 -0.0327 0.00000
162 -0.0291 0.00000
163 -0.0081 0.00000
164 0.5133 0.00000
165 0.1511 0.00000
166 -0.0684 0.00000
167 -0.0233 0.00000
168 -0.0011 0.00000
169 -0.0570 0.00000
170 0.0154 0.00000
171 0.1596 0.00000
172 -0.0339 0.00000
173 -0.1539 0.00000
174 0.0253 0.00000
175 -0.0478 0.00000
176 0.0505 0.00000
177 -0.0421 0.00000
178 -0.0213 0.00000
179 -0.0168 0.00000
180 -0.1031 0.00000
181 0.0401 0.00000
182 0.1812 0.00000
183 -0.0132 0.00000
184 -0.2241 0.00000
185 -0.0264 0.00000
186 0.0168 0.00000
187 -0.1045 0.00000
188 -0.1892 0.00000
189 0.1255 0.00000
190 0.1634 0.00000
191 0.0039 0.00000
192 0.0758 0.00000
193 -0.1119 0.00000
194 0.3239 0.00000
195 -0.1239 0.00000
196 0.1490 0.00000
197 0.0395 0.00000
198 -0.1147 0.00000
199 0.0984 0.00000
200 -0.0031 0.00000
201 0.1250 0.00000
202 -0.0312 0.00000
203 -0.5506 0.00000
204 0.1453 0.00000
205 -0.3142 0.00000
206 0.6352 0.00000
207 0.1559 0.00000
208 0.2560 0.00000
209 0.2431 0.00000
210 0.0928 0.00000
211 -0.2084 0.00000
212 0.1259 0.00000
213 -0.1027 0.00000
214 -0.1432 0.00000
215 0.0160 0.00000
216 -0.1032 0.00000
217 -0.2748 0.00000
218 0.2487 0.00000
219 0.0849 0.00000
220 0.5126 0.00000
221 0.4887 0.00000
222 0.0197 0.00000
223 -0.1281 0.00000
224 -0.1393 0.00000
225 0.0155 0.00000
226 -0.0128 0.00000
227 -0.0253 0.00000
228 -0.0023 0.00000
229 0.2331 0.00000
230 0.1186 0.00000
231 -0.1034 0.00000
232 -0.0451 0.00000
233 -0.0160 0.00000
234 -0.0000 0.00000
235 -0.1811 0.00000
236 -0.0014 0.00000
237 -0.0693 0.00000
238 -0.1653 0.00000
239 -0.0413 0.00000
240 -0.0782 0.00000
241 -0.1162 0.00000
242 0.0039 0.00000
243 0.1711 0.00000
244 0.1183 0.00000
245 0.1010 0.00000
246 0.0970 0.00000
247 0.2938 0.00000
248 0.3485 0.00000
249 0.1379 0.00000
250 -0.0027 0.00000
251 -0.2386 0.00000
252 -0.0780 0.00000
253 -0.0624 0.00000
254 -0.0907 0.00000
255 -0.0399 0.00000
256 0.0329 0.00000
257 0.0404 0.00000
258 0.2198 0.00000
259 -0.0234 0.00000
260 -0.0217 0.00000
261 -0.0805 0.00000
262 0.0108 0.00000
263 -0.0196 0.00000
264 0.0148 0.00000
265 0.0282 0.00000
266 -0.0672 0.00000
267 0.0322 0.00000
268 -0.0857 0.00000
269 0.0845 0.00000
270 -0.0394 0.00000
271 0.0275 0.00000
272 -0.0145 0.00000
273 0.0772 0.00000
274 0.0163 0.00000
275 0.1824 0.00000
276 -0.0268 0.00000
277 0.0067 0.00000
278 -0.0857 0.00000
279 0.0069 0.00000
280 0.0044 0.00000
281 -0.0639 0.00000
282 -0.1051 0.00000
283 0.0320 0.00000
284 -0.0246 0.00000
285 -0.0642 0.00000
286 0.0001 0.00000
287 -0.1066 0.00000
288 -0.1469 0.00000
289 0.0104 0.00000
290 0.0015 0.00000
291 0.0341 0.00000
292 0.1013 0.00000
293 0.0192 0.00000
294 -0.2075 0.00000
295 0.0045 0.00000
296 0.0056 0.00000
297 -0.0341 0.00000
298 -0.0035 0.00000
299 -0.1223 0.00000
300 0.0571 0.00000
301 0.0016 0.00000
302 0.0191 0.00000
303 -0.0283 0.00000
304 0.0190 0.00000
305 0.1146 0.00000
306 -0.0095 0.00000
307 -0.0218 0.00000
308 0.0715 0.00000
309 -0.1022 0.00000
310 0.0529 0.00000
311 0.1480 0.00000
312 -0.0021 0.00000
313 -0.2272 0.00000
314 -0.0382 0.00000
315 -0.0194 0.00000
316 0.1639 0.00000
317 0.0568 0.00000
318 0.0345 0.00000
319 -0.0488 0.00000
320 -0.1372 0.00000
321 0.0867 0.00000
322 0.2322 0.00000
323 -0.0806 0.00000
324 -0.0310 0.00000
325 -0.0739 0.00000
326 0.0296 0.00000
327 0.0148 0.00000
328 0.1276 0.00000
329 -0.0322 0.00000
330 -0.1055 0.00000
331 0.0577 0.00000
332 -0.0937 0.00000
333 -0.0072 0.00000
334 -0.0086 0.00000
335 -0.0367 0.00000
336 -0.0561 0.00000
337 -0.1690 0.00000
338 -0.0022 0.00000
339 0.0792 0.00000
340 -0.0435 0.00000
341 0.0115 0.00000
342 0.0525 0.00000
343 -0.2206 0.00000
344 -0.0482 0.00000
345 -0.0131 0.00000
346 0.0687 0.00000
347 -0.0198 0.00000
348 -0.0701 0.00000
349 0.0214 0.00000
350 -0.0502 0.00000
351 -0.0306 0.00000
352 0.0619 0.00000
353 0.0386 0.00000
354 -0.0553 0.00000
355 -0.0274 0.00000
356 0.2331 0.00000
357 -0.0440 0.00000
358 -0.1526 0.00000
359 0.3695 0.00000
360 0.0742 0.00000
361 0.0036 0.00000
362 0.0200 0.00000
363 -0.1580 0.00000
364 0.0888 0.00000
365 0.1903 0.00000
366 0.0241 0.00000
367 0.0507 0.00000
368 -0.0120 0.00000
369 0.0880 0.00000
370 0.0393 0.00000
371 0.0238 0.00000
372 -0.0989 0.00000
373 0.1619 0.00000
374 -0.0408 0.00000
375 -0.0297 0.00000
376 0.1178 0.00000
377 -0.0012 0.00000
378 -0.0566 0.00000
379 -0.0702 0.00000
380 0.0079 0.00000
381 0.0264 0.00000
382 0.1340 0.00000
383 -0.1189 0.00000
384 0.0367 0.00000
385 -0.2790 0.00000
386 0.0478 0.00000
387 -0.1301 0.00000
388 -0.0122 0.00000
389 -0.0943 0.00000
390 0.1262 0.00000
391 0.1206 0.00000
392 0.1454 0.00000
393 0.0478 0.00000
394 0.0181 0.00000
395 0.2535 0.00000
396 -0.1043 0.00000
397 0.0299 0.00000
398 0.0905 0.00000
399 0.0631 0.00000
400 0.1754 0.00000
401 0.0857 0.00000
402 0.0396 0.00000
403 0.1065 0.00000
404 -0.0082 0.00000
405 -0.0302 0.00000
406 0.0211 0.00000
407 0.1211 0.00000
408 0.2707 0.00000
409 -0.0147 0.00000
410 0.0876 0.00000
411 -0.0786 0.00000
412 -0.1095 0.00000
413 0.1664 0.00000
414 -0.1352 0.00000
415 0.0826 0.00000
416 -0.0022 0.00000
417 0.0378 0.00000
418 0.0143 0.00000
419 -0.0733 0.00000
420 -0.0139 0.00000
421 0.0435 0.00000
422 -0.0776 0.00000
423 0.0986 0.00000
424 -0.0031 0.00000
425 -0.0156 0.00000
426 -0.0757 0.00000
427 0.0178 0.00000
428 -0.0210 0.00000
429 -0.0889 0.00000
430 0.1835 0.00000
431 0.1614 0.00000
432 0.0644 0.00000
433 -0.0544 0.00000
434 -0.0379 0.00000
435 0.0516 0.00000
436 0.0535 0.00000
437 -0.0672 0.00000
438 -0.0501 0.00000
439 -0.0568 0.00000
440 0.1111 0.00000
441 -0.1250 0.00000
442 0.1258 0.00000
443 -0.1754 0.00000
444 -0.0544 0.00000
445 0.0515 0.00000
446 0.0193 0.00000
447 0.0254 0.00000
448 0.0563 0.00000
449 -0.0560 0.00000
450 0.0553 0.00000
451 0.0401 0.00000
452 0.0739 0.00000
453 -0.1440 0.00000
454 -0.0202 0.00000
455 -0.0034 0.00000
456 0.0608 0.00000
457 0.0496 0.00000
458 -0.0136 0.00000
459 0.0971 0.00000
460 -0.1298 0.00000
461 0.0844 0.00000
462 0.2336 0.00000
463 -0.0785 0.00000
464 -0.0059 0.00000
465 0.1706 0.00000
466 -0.0543 0.00000
467 -0.0388 0.00000
468 0.0192 0.00000
469 -0.0898 0.00000
470 -0.0041 0.00000
471 -0.0043 0.00000
472 -0.1318 0.00000
473 -0.0287 0.00000
474 0.1355 0.00000
475 -0.1556 0.00000
476 -0.0996 0.00000
477 0.0052 0.00000
478 -0.1023 0.00000
479 0.0611 0.00000
480 -0.0130 0.00000
481 -0.0863 0.00000
482 0.2597 0.00000
483 -0.0707 0.00000
484 -0.0835 0.00000
485 0.0851 0.00000
486 0.1111 0.00000
487 -0.0185 0.00000
488 -0.0392 0.00000
489 -0.0054 0.00000
490 -0.0612 0.00000
491 -0.0345 0.00000
492 -0.0876 0.00000
493 -0.0007 0.00000
494 -0.0409 0.00000
495 0.0281 0.00000
496 -0.1592 0.00000
497 -0.0553 0.00000
498 0.0886 0.00000
499 -0.0195 0.00000
500 -0.0722 0.00000
501 0.0608 0.00000
502 -0.0263 0.00000
503 0.0736 0.00000
504 -0.0533 0.00000
505 -0.0320 0.00000
506 -0.0416 0.00000
507 -0.0746 0.00000
508 -0.0346 0.00000
509 0.0588 0.00000
510 0.0501 0.00000
511 -0.0624 0.00000
512 -0.0243 0.00000
513 0.1082 0.00000
514 -0.0002 0.00000
515 -0.1198 0.00000
516 -0.0057 0.00000
517 -0.0681 0.00000
518 -0.0676 0.00000
519 -0.0315 0.00000
520 0.0180 0.00000
521 -0.0363 0.00000
522 0.1218 0.00000
523 -0.5534 0.00000
524 0.0668 0.00000
525 0.1247 0.00000
526 0.3569 0.00000
527 0.1879 0.00000
528 0.0868 0.00000
529 0.0949 0.00000
530 0.0311 0.00000
531 0.0191 0.00000
532 0.0510 0.00000
533 -0.0350 0.00000
534 0.0680 0.00000
535 0.0357 0.00000
536 0.0741 0.00000
537 0.2888 0.00000
538 -0.0204 0.00000
539 0.3052 0.00000
540 -0.0246 0.00000
541 0.2198 0.00000
542 -0.0993 0.00000
543 0.0908 0.00000
544 -0.0432 0.00000
545 -0.0116 0.00000
546 0.1708 0.00000
547 0.0086 0.00000
548 -0.0128 0.00000
549 -0.1298 0.00000
550 0.0634 0.00000
551 0.0040 0.00000
552 0.0168 0.00000
553 0.0784 0.00000
554 0.0388 0.00000
555 -0.0220 0.00000
556 -0.0080 0.00000
557 0.0682 0.00000
558 0.0270 0.00000
559 0.0456 0.00000
560 0.1325 0.00000
561 -0.0407 0.00000
562 0.0559 0.00000
563 0.1172 0.00000
564 0.0844 0.00000
565 0.0344 0.00000
566 0.0241 0.00000
567 0.0373 0.00000
568 -0.0091 0.00000
569 -0.1555 0.00000
570 0.0386 0.00000
571 0.0095 0.00000
572 0.0608 0.00000
573 -0.1878 0.00000
574 -0.0705 0.00000
575 0.0311 0.00000
576 0.0184 0.00000
577 -0.0608 0.00000
578 -0.1327 0.00000
579 -0.0303 0.00000
580 0.0943 0.00000
581 -0.0825 0.00000
582 -0.0301 0.00000
583 -0.0168 0.00000
584 0.0608 0.00000
585 -0.0095 0.00000
586 -0.0124 0.00000
587 0.0538 0.00000
588 -0.1143 0.00000
589 0.0244 0.00000
590 -0.1298 0.00000
591 -0.0828 0.00000
592 -0.0399 0.00000
593 -0.0302 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1004 0.00000
597 -0.1190 0.00000
598 0.0633 0.00000
599 -0.0106 0.00000
600 -0.0351 0.00000
601 0.0813 0.00000
602 0.0136 0.00000
603 -0.0789 0.00000
604 0.0205 0.00000
605 0.0470 0.00000
606 -0.0878 0.00000
607 0.0200 0.00000
608 -0.0051 0.00000
609 -0.0303 0.00000
610 0.0220 0.00000
611 0.0656 0.00000
612 -0.0558 0.00000
613 0.0313 0.00000
614 -0.0295 0.00000
615 -0.0081 0.00000
616 0.0738 0.00000
617 -0.1175 0.00000
618 0.0061 0.00000
619 -0.0220 0.00000
620 0.1088 0.00000
621 -0.0321 0.00000
622 0.0250 0.00000
623 -0.0171 0.00000
624 -0.0078 0.00000
625 -0.0219 0.00000
626 -0.0590 0.00000
627 0.0119 0.00000
628 0.0123 0.00000
629 0.0407 0.00000
630 0.0644 0.00000
631 0.1546 0.00000
632 -0.0287 0.00000
633 0.0003 0.00000
634 -0.0269 0.00000
635 0.0324 0.00000
636 -0.0595 0.00000
637 0.0255 0.00000
638 -0.0974 0.00000
639 -0.0021 0.00000
640 0.0189 0.00000
641 -0.0659 0.00000
642 0.0086 0.00000
643 0.0043 0.00000
644 -0.0846 0.00000
645 -0.0350 0.00000
646 -0.0236 0.00000
647 0.0343 0.00000
648 -0.0537 0.00000
649 -0.0203 0.00000
650 -0.0587 0.00000
651 0.0457 0.00000
652 -0.0052 0.00000
653 -0.0541 0.00000
654 0.0763 0.00000
655 -0.0286 0.00000
656 0.0062 0.00000
657 -0.0227 0.00000
658 -0.0112 0.00000
659 -0.0073 0.00000
660 -0.0092 0.00000
661 -0.0421 0.00000
662 0.0294 0.00000
663 0.0081 0.00000
664 0.0782 0.00000
665 0.0330 0.00000
666 -0.0673 0.00000
667 -0.0972 0.00000
668 -0.0639 0.00000
669 -0.0814 0.00000
670 0.0031 0.00000
671 -0.0586 0.00000
672 -0.0601 0.00000
673 -0.0887 0.00000
674 0.0069 0.00000
675 -0.1492 0.00000
676 -0.0168 0.00000
677 -0.0381 0.00000
678 -0.0427 0.00000
679 -0.0348 0.00000
680 -0.0540 0.00000
681 -0.0045 0.00000
682 -0.0614 0.00000
683 -0.0413 0.00000
684 0.0193 0.00000
685 -0.0547 0.00000
686 -0.0274 0.00000
687 0.0289 0.00000
688 -0.0029 0.00000
689 -0.0597 0.00000
690 -0.0218 0.00000
691 -0.0802 0.00000
692 0.0550 0.00000
693 -0.0673 0.00000
694 -0.0278 0.00000
695 0.0013 0.00000
696 -0.0025 0.00000
697 0.0060 0.00000
698 -0.1085 0.00000
699 0.0197 0.00000
700 0.0140 0.00000
701 -0.0341 0.00000
702 -0.0905 0.00000
703 0.0346 0.00000
704 -0.0425 0.00000
705 -0.0532 0.00000
706 -0.0922 0.00000
707 0.0367 0.00000
708 -0.0276 0.00000
709 0.0061 0.00000
710 0.0250 0.00000
711 0.0390 0.00000
712 -0.0750 0.00000
713 -0.0309 0.00000
714 -0.0544 0.00000
715 -0.0189 0.00000
716 0.0272 0.00000
717 0.0075 0.00000
718 -0.0216 0.00000
719 -0.1157 0.00000
720 -0.0035 0.00000
721 -0.0777 0.00000
722 -0.0587 0.00000
723 0.0126 0.00000
724 0.0165 0.00000
725 -0.0571 0.00000
726 0.0180 0.00000
727 0.0322 0.00000
728 -0.0395 0.00000
729 -0.0759 0.00000
730 0.0187 0.00000
731 -0.0331 0.00000
732 0.0150 0.00000
733 0.0835 0.00000
734 0.0374 0.00000
735 -0.0198 0.00000
736 -0.0719 0.00000
737 -0.0217 0.00000
738 -0.0087 0.00000
739 -0.0006 0.00000
740 -0.0271 0.00000
741 -0.0145 0.00000
742 0.0063 0.00000
743 0.0076 0.00000
744 -0.0108 0.00000
745 -0.0762 0.00000
746 -0.0277 0.00000
747 -0.0203 0.00000
748 0.0740 0.00000
749 0.0394 0.00000
750 -0.0305 0.00000
751 0.0578 0.00000
752 0.0172 0.00000
753 0.0402 0.00000
754 -0.1366 0.00000
755 0.0814 0.00000
756 -0.0238 0.00000
757 0.0292 0.00000
758 0.0168 0.00000
759 0.0250 0.00000
760 -0.0212 0.00000
761 -0.0021 0.00000
762 0.0042 0.00000
763 -0.0381 0.00000
764 0.0220 0.00000
765 -0.0541 0.00000
766 -0.0784 0.00000
767 -0.0645 0.00000
768 0.0443 0.00000
769 0.0220 0.00000
770 0.0491 0.00000
771 -0.0966 0.00000
772 0.0293 0.00000
773 -0.0699 0.00000
774 -0.0140 0.00000
775 0.0538 0.00000
776 0.0983 0.00000
777 0.0508 0.00000
778 -0.0333 0.00000
779 0.0136 0.00000
780 -0.0412 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.0893 0.00000
5 0.8439 0.00000
6 0.2395 0.00000
7 0.0467 0.00000
8 0.0464 0.00000
9 0.5546 0.00000
10 0.2587 0.00000
11 -0.1941 0.00000
12 0.1253 0.00000
13 -0.0400 0.00000
14 0.0249 0.00000
15 -0.0619 0.00000
16 -0.0892 0.00000
17 -0.0642 0.00000
18 0.0592 0.00000
19 0.0086 0.00000
20 -0.0245 0.00000
21 0.0580 0.00000
22 0.0294 0.00000
23 0.0201 0.00000
24 -0.2176 0.00000
25 0.3383 0.00000
26 0.0193 0.00000
27 0.1619 0.00000
28 0.1965 0.00000
29 -0.1918 0.00000
30 -0.0947 0.00000
31 -0.3760 0.00000
32 -0.0263 0.00000
33 0.1155 0.00000
34 0.1266 0.00000
35 0.0995 0.00000
36 0.0614 0.00000
37 0.0305 0.00000
38 0.1329 0.00000
39 0.0079 0.00000
40 0.0207 0.00000
41 0.4288 0.00000
42 -0.2230 0.00000
43 0.2605 0.00000
44 -0.0247 0.00000
45 -0.0902 0.00000
46 -0.2204 0.00000
47 -0.3637 0.00000
48 0.1783 0.00000
49 -0.3147 0.00000
50 -0.4567 0.00000
51 -0.1574 0.00000
52 0.3608 0.00000
53 -0.0393 0.00000
54 0.0077 0.00000
55 0.3192 0.00000
56 -0.0907 0.00000
57 0.0258 0.00000
58 0.6132 0.00000
59 0.3149 0.00000
60 -0.5489 0.00000
61 0.3786 0.00000
62 0.1422 0.00000
63 0.2033 0.00000
64 -0.8778 0.00000
65 0.4801 0.00000
66 0.1251 0.00000
67 1.0128 0.00000
68 -0.9251 0.00000
69 0.1062 0.00000
70 0.3480 0.00000
71 0.1908 0.00000
72 0.1034 0.00000
73 0.0843 0.00000
74 0.1345 0.00000
75 -0.0518 0.00000
76 -0.0338 0.00000
77 -0.0152 0.00000
78 0.2365 0.00000
79 -0.2531 0.00000
80 -0.1144 0.00000
81 -0.1597 0.00000
82 0.0876 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0590 0.00000
90 0.0300 0.00000
91 -0.1046 0.00000
92 -0.0382 0.00000
93 -0.1330 0.00000
94 -0.2307 0.00000
95 -0.3203 0.00000
96 -0.2418 0.00000
97 0.0156 0.00000
98 0.1996 0.00000
99 0.1726 0.00000
100 -0.2945 0.00000
101 0.1559 0.00000
102 0.3084 0.00000
103 0.1587 0.00000
104 -0.0513 0.00000
105 0.0189 0.00000
106 -0.0865 0.00000
107 -0.3458 0.00000
108 0.0707 0.00000
109 -0.0676 0.00000
110 0.0667 0.00000
111 -0.3119 0.00000
112 0.1637 0.00000
113 -0.0674 0.00000
114 0.1213 0.00000
115 -0.0323 0.00000
116 -0.1390 0.00000
117 0.0365 0.00000
118 -0.1227 0.00000
119 0.0822 0.00000
120 0.0568 0.00000
121 0.1488 0.00000
122 0.1303 0.00000
123 -0.0595 0.00000
124 -0.0376 0.00000
125 -0.0117 0.00000
126 0.1598 0.00000
127 -0.1056 0.00000
128 0.0039 0.00000
129 -0.1672 0.00000
130 0.0445 0.00000
131 0.1806 0.00000
132 -0.1853 0.00000
133 -0.0748 0.00000
134 0.0678 0.00000
135 -0.0402 0.00000
136 -0.0004 0.00000
137 -0.3805 0.00000
138 0.2042 0.00000
139 0.0404 0.00000
140 -0.0727 0.00000
141 0.0140 0.00000
142 -0.1113 0.00000
143 -0.0567 0.00000
144 -0.1193 0.00000
145 -0.1547 0.00000
146 -0.1150 0.00000
147 -0.0051 0.00000
148 -0.0306 0.00000
149 0.6004 0.00000
150 0.0113 0.00000
151 -0.0286 0.00000
152 -0.1606 0.00000
153 -0.1331 0.00000
154 -0.0396 0.00000
155 0.0883 0.00000
156 -0.0049 0.00000
157 0.0307 0.00000
158 0.0258 0.00000
159 -0.1890 0.00000
160 -0.0061 0.00000
161 -0.1558 0.00000
162 -0.0230 0.00000
163 0.3161 0.00000
164 0.3504 0.00000
165 -0.0235 0.00000
166 0.1077 0.00000
167 -0.0483 0.00000
168 -0.0094 0.00000
169 -0.0427 0.00000
170 0.0580 0.00000
171 -0.0209 0.00000
172 -0.0623 0.00000
173 -0.0009 0.00000
174 0.0344 0.00000
175 -0.0750 0.00000
176 -0.1095 0.00000
177 0.2935 0.00000
178 -0.1120 0.00000
179 -0.0386 0.00000
180 0.0662 0.00000
181 -0.0304 0.00000
182 -0.0505 0.00000
183 -0.1500 0.00000
184 -0.0668 0.00000
185 -0.0450 0.00000
186 -0.1125 0.00000
187 -0.1635 0.00000
188 0.3690 0.00000
189 -0.0456 0.00000
190 0.1072 0.00000
191 -0.0447 0.00000
192 0.0322 0.00000
193 0.0891 0.00000
194 0.2613 0.00000
195 -0.1929 0.00000
196 0.0794 0.00000
197 0.0118 0.00000
198 -0.0222 0.00000
199 0.1357 0.00000
200 0.0026 0.00000
201 0.0898 0.00000
202 0.1122 0.00000
203 -1.0610 0.00000
204 -0.0010 0.00000
205 0.2504 0.00000
206 0.3966 0.00000
207 0.3474 0.00000
208 0.2264 0.00000
209 0.3971 0.00000
210 0.1341 0.00000
211 -0.3007 0.00000
212 -0.0371 0.00000
213 0.1763 0.00000
214 -0.3556 0.00000
215 -0.3470 0.00000
216 0.0367 0.00000
217 -0.0070 0.00000
218 0.2020 0.00000
219 0.6089 0.00000
220 0.1378 0.00000
221 0.2965 0.00000
222 0.0708 0.00000
223 -0.0033 0.00000
224 -0.1801 0.00000
225 -0.4113 0.00000
226 0.2598 0.00000
227 0.0206 0.00000
228 0.0046 0.00000
229 0.2387 0.00000
230 0.1050 0.00000
231 -0.1019 0.00000
232 -0.0441 0.00000
233 -0.0156 0.00000
234 -0.0146 0.00000
235 -0.1743 0.00000
236 -0.1025 0.00000
237 -0.0007 0.00000
238 -0.1292 0.00000
239 -0.0648 0.00000
240 -0.0645 0.00000
241 -0.0899 0.00000
242 0.0335 0.00000
243 0.0911 0.00000
244 0.0953 0.00000
245 0.2041 0.00000
246 -0.0219 0.00000
247 0.1378 0.00000
248 0.8620 0.00000
249 -0.0311 0.00000
250 -0.0988 0.00000
251 -0.1252 0.00000
252 -0.2971 0.00000
253 -0.0085 0.00000
254 -0.0785 0.00000
255 -0.1008 0.00000
256 0.2164 0.00000
257 0.0055 0.00000
258 0.1118 0.00000
259 -0.0424 0.00000
260 -0.0020 0.00000
261 -0.0645 0.00000
262 0.0042 0.00000
263 0.0107 0.00000
264 0.1064 0.00000
265 -0.0451 0.00000
266 -0.0478 0.00000
267 -0.0406 0.00000
268 -0.1109 0.00000
269 -0.0019 0.00000
270 0.0261 0.00000
271 -0.0152 0.00000
272 0.0391 0.00000
273 -0.0359 0.00000
274 0.2252 0.00000
275 -0.0405 0.00000
276 0.1274 0.00000
277 0.0679 0.00000
278 -0.0111 0.00000
279 -0.0613 0.00000
280 0.1678 0.00000
281 -0.1689 0.00000
282 -0.1223 0.00000
283 -0.0582 0.00000
284 -0.0454 0.00000
285 0.0218 0.00000
286 0.1054 0.00000
287 -0.1037 0.00000
288 -0.0860 0.00000
289 -0.0377 0.00000
290 -0.0184 0.00000
291 0.0298 0.00000
292 -0.0104 0.00000
293 -0.0995 0.00000
294 -0.0750 0.00000
295 0.0409 0.00000
296 -0.0599 0.00000
297 -0.0715 0.00000
298 0.0326 0.00000
299 0.0272 0.00000
300 -0.0689 0.00000
301 0.0603 0.00000
302 -0.0220 0.00000
303 -0.0344 0.00000
304 0.0228 0.00000
305 0.0622 0.00000
306 0.0855 0.00000
307 -0.0428 0.00000
308 -0.1004 0.00000
309 -0.0869 0.00000
310 0.0823 0.00000
311 0.0678 0.00000
312 -0.0423 0.00000
313 -0.0293 0.00000
314 -0.1459 0.00000
315 0.1439 0.00000
316 -0.0147 0.00000
317 0.0055 0.00000
318 0.0982 0.00000
319 -0.0117 0.00000
320 0.0683 0.00000
321 -0.1802 0.00000
322 0.1239 0.00000
323 0.0085 0.00000
324 0.0668 0.00000
325 0.0267 0.00000
326 0.0091 0.00000
327 0.0445 0.00000
328 0.0136 0.00000
329 -0.0969 0.00000
330 0.0311 0.00000
331 0.0015 0.00000
332 0.0351 0.00000
333 0.0392 0.00000
334 -0.0660 0.00000
335 -0.0913 0.00000
336 0.0864 0.00000
337 -0.0413 0.00000
338 -0.2024 0.00000
339 0.0794 0.00000
340 -0.0671 0.00000
341 0.0276 0.00000
342 0.0164 0.00000
343 0.0231 0.00000
344 -0.1736 0.00000
345 0.0296 0.00000
346 -0.0275 0.00000
347 -0.0239 0.00000
348 -0.1113 0.00000
349 -0.1992 0.00000
350 0.0728 0.00000
351 -0.0161 0.00000
352 -0.1018 0.00000
353 0.1001 0.00000
354 0.0555 0.00000
355 0.0504 0.00000
356 0.0088 0.00000
357 -0.0245 0.00000
358 0.0251 0.00000
359 0.1804 0.00000
360 0.0332 0.00000
361 0.0496 0.00000
362 0.2190 0.00000
363 0.0352 0.00000
364 0.0252 0.00000
365 -0.1561 0.00000
366 0.1990 0.00000
367 0.0152 0.00000
368 0.0402 0.00000
369 0.0072 0.00000
370 -0.0087 0.00000
371 0.1341 0.00000
372 0.0905 0.00000
373 -0.0553 0.00000
374 -0.0481 0.00000
375 0.0573 0.00000
376 0.0357 0.00000
377 -0.1285 0.00000
378 -0.0232 0.00000
379 -0.0436 0.00000
380 0.0054 0.00000
381 -0.0201 0.00000
382 0.1005 0.00000
383 0.0066 0.00000
384 0.0236 0.00000
385 0.0038 0.00000
386 -0.0238 0.00000
387 -0.0219 0.00000
388 -0.3870 0.00000
389 0.1368 0.00000
390 0.0389 0.00000
391 -0.0337 0.00000
392 0.0630 0.00000
393 0.0543 0.00000
394 0.1029 0.00000
395 -0.0057 0.00000
396 0.1336 0.00000
397 0.0796 0.00000
398 0.1781 0.00000
399 -0.0197 0.00000
400 0.0924 0.00000
401 0.0208 0.00000
402 0.1030 0.00000
403 0.0823 0.00000
404 0.0095 0.00000
405 0.1950 0.00000
406 0.0863 0.00000
407 0.0501 0.00000
408 0.0861 0.00000
409 -0.0660 0.00000
410 -0.1383 0.00000
411 0.0876 0.00000
412 0.2281 0.00000
413 0.0767 0.00000
414 0.0752 0.00000
415 0.0077 0.00000
416 -0.0282 0.00000
417 0.0453 0.00000
418 0.0090 0.00000
419 -0.0936 0.00000
420 0.0308 0.00000
421 -0.0044 0.00000
422 -0.0670 0.00000
423 -0.0332 0.00000
424 0.0367 0.00000
425 -0.0207 0.00000
426 0.0395 0.00000
427 -0.0655 0.00000
428 0.0049 0.00000
429 0.1513 0.00000
430 -0.0150 0.00000
431 -0.1042 0.00000
432 0.0384 0.00000
433 -0.0361 0.00000
434 0.0594 0.00000
435 -0.0199 0.00000
436 0.0559 0.00000
437 0.1894 0.00000
438 -0.0142 0.00000
439 -0.0409 0.00000
440 -0.1840 0.00000
441 0.1136 0.00000
442 0.0701 0.00000
443 -0.1494 0.00000
444 0.0244 0.00000
445 -0.0598 0.00000
446 -0.0612 0.00000
447 0.0873 0.00000
448 0.1682 0.00000
449 -0.0467 0.00000
450 -0.1269 0.00000
451 -0.0020 0.00000
452 0.0782 0.00000
453 -0.0205 0.00000
454 0.1245 0.00000
455 0.0676 0.00000
456 -0.0336 0.00000
457 0.0097 0.00000
458 -0.0418 0.00000
459 0.0510 0.00000
460 0.0888 0.00000
461 -0.2820 0.00000
462 0.0672 0.00000
463 0.0508 0.00000
464 -0.0594 0.00000
465 0.0476 0.00000
466 -0.0122 0.00000
467 0.0535 0.00000
468 0.0887 0.00000
469 -0.1153 0.00000
470 -0.1011 0.00000
471 0.1749 0.00000
472 0.0299 0.00000
473 -0.0314 0.00000
474 -0.2269 0.00000
475 -0.1602 0.00000
476 0.0362 0.00000
477 -0.0461 0.00000
478 -0.0071 0.00000
479 -0.0447 0.00000
480 0.0251 0.00000
481 0.0073 0.00000
482 0.1459 0.00000
483 -0.0846 0.00000
484 0.0601 0.00000
485 -0.0364 0.00000
486 0.0321 0.00000
487 -0.1365 0.00000
488 0.1214 0.00000
489 -0.0054 0.00000
490 -0.0450 0.00000
491 -0.1136 0.00000
492 0.0358 0.00000
493 0.0085 0.00000
494 -0.0935 0.00000
495 0.0505 0.00000
496 -0.0605 0.00000
497 0.0493 0.00000
498 -0.0637 0.00000
499 -0.0092 0.00000
500 0.1718 0.00000
501 0.0817 0.00000
502 0.0241 0.00000
503 -0.0459 0.00000
504 0.0878 0.00000
505 -0.1362 0.00000
506 -0.0310 0.00000
507 0.0250 0.00000
508 -0.1137 0.00000
509 0.0175 0.00000
510 0.0123 0.00000
511 -0.0847 0.00000
512 0.0229 0.00000
513 -0.0413 0.00000
514 -0.0943 0.00000
515 -0.0037 0.00000
516 -0.1534 0.00000
517 -0.0014 0.00000
518 0.1000 0.00000
519 0.0256 0.00000
520 -0.0349 0.00000
521 -0.1467 0.00000
522 0.1624 0.00000
523 -0.0027 0.00000
524 0.0339 0.00000
525 -0.1715 0.00000
526 0.0447 0.00000
527 0.0176 0.00000
528 0.2083 0.00000
529 0.1645 0.00000
530 0.0135 0.00000
531 0.1178 0.00000
532 -0.0642 0.00000
533 0.0447 0.00000
534 0.2176 0.00000
535 0.0599 0.00000
536 0.1432 0.00000
537 0.2883 0.00000
538 -0.1176 0.00000
539 0.1175 0.00000
540 -0.0202 0.00000
541 0.0596 0.00000
542 -0.0119 0.00000
543 0.1383 0.00000
544 0.0874 0.00000
545 -0.1573 0.00000
546 0.0321 0.00000
547 0.0283 0.00000
548 -0.0893 0.00000
549 0.0291 0.00000
550 0.0132 0.00000
551 0.0688 0.00000
552 0.0653 0.00000
553 0.0154 0.00000
554 -0.0004 0.00000
555 -0.0050 0.00000
556 0.0732 0.00000
557 0.0482 0.00000
558 0.0129 0.00000
559 0.0434 0.00000
560 0.0651 0.00000
561 0.1955 0.00000
562 0.0142 0.00000
563 -0.0074 0.00000
564 0.1198 0.00000
565 0.1048 0.00000
566 0.0066 0.00000
567 -0.1931 0.00000
568 0.0748 0.00000
569 -0.0364 0.00000
570 -0.0067 0.00000
571 -0.0059 0.00000
572 0.0637 0.00000
573 -0.0178 0.00000
574 -0.1548 0.00000
575 0.0750 0.00000
576 0.1272 0.00000
577 -0.0705 0.00000
578 -0.2542 0.00000
579 -0.0732 0.00000
580 0.1068 0.00000
581 -0.0431 0.00000
582 -0.0500 0.00000
583 -0.0590 0.00000
584 0.2230 0.00000
585 -0.0839 0.00000
586 -0.0575 0.00000
587 0.0577 0.00000
588 -0.1469 0.00000
589 0.0247 0.00000
590 -0.1489 0.00000
591 -0.0495 0.00000
592 -0.0499 0.00000
593 -0.0287 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1005 0.00000
597 -0.1195 0.00000
598 0.0606 0.00000
599 0.0347 0.00000
600 -0.0246 0.00000
601 -0.0050 0.00000
602 -0.0508 0.00000
603 -0.0408 0.00000
604 0.1583 0.00000
605 -0.0565 0.00000
606 0.0282 0.00000
607 -0.0707 0.00000
608 0.0114 0.00000
609 -0.0290 0.00000
610 0.0076 0.00000
611 -0.0390 0.00000
612 -0.1342 0.00000
613 0.0170 0.00000
614 0.1681 0.00000
615 0.0696 0.00000
616 0.1861 0.00000
617 -0.0766 0.00000
618 0.0026 0.00000
619 -0.0384 0.00000
620 -0.0460 0.00000
621 -0.0105 0.00000
622 -0.0659 0.00000
623 -0.0442 0.00000
624 0.0523 0.00000
625 -0.0114 0.00000
626 -0.0168 0.00000
627 -0.0199 0.00000
628 -0.0240 0.00000
629 -0.0777 0.00000
630 0.1713 0.00000
631 -0.0603 0.00000
632 0.0551 0.00000
633 0.0078 0.00000
634 -0.0127 0.00000
635 -0.0635 0.00000
636 0.0532 0.00000
637 -0.0152 0.00000
638 -0.1001 0.00000
639 -0.0164 0.00000
640 0.0415 0.00000
641 0.0322 0.00000
642 -0.0021 0.00000
643 -0.0000 0.00000
644 -0.0453 0.00000
645 -0.0041 0.00000
646 0.0163 0.00000
647 -0.0285 0.00000
648 0.0302 0.00000
649 -0.0532 0.00000
650 -0.0424 0.00000
651 0.0032 0.00000
652 -0.0422 0.00000
653 -0.0709 0.00000
654 -0.0133 0.00000
655 -0.0079 0.00000
656 -0.0074 0.00000
657 -0.0437 0.00000
658 -0.0310 0.00000
659 -0.0182 0.00000
660 -0.0241 0.00000
661 0.0804 0.00000
662 0.0161 0.00000
663 0.0511 0.00000
664 -0.0406 0.00000
665 -0.0037 0.00000
666 0.0323 0.00000
667 -0.0039 0.00000
668 -0.0515 0.00000
669 0.0492 0.00000
670 -0.0063 0.00000
671 -0.0074 0.00000
672 -0.0340 0.00000
673 -0.0544 0.00000
674 -0.0391 0.00000
675 -0.0513 0.00000
676 -0.0638 0.00000
677 -0.0408 0.00000
678 -0.1094 0.00000
679 -0.0097 0.00000
680 -0.1164 0.00000
681 0.0457 0.00000
682 -0.0406 0.00000
683 -0.0505 0.00000
684 0.0204 0.00000
685 -0.1083 0.00000
686 -0.0233 0.00000
687 -0.2080 0.00000
688 -0.0356 0.00000
689 0.0078 0.00000
690 0.0194 0.00000
691 -0.0469 0.00000
692 -0.0537 0.00000
693 0.0677 0.00000
694 -0.0264 0.00000
695 -0.0953 0.00000
696 -0.0085 0.00000
697 -0.0193 0.00000
698 -0.0363 0.00000
699 0.0230 0.00000
700 -0.0088 0.00000
701 0.0460 0.00000
702 -0.0044 0.00000
703 -0.0974 0.00000
704 -0.1010 0.00000
705 -0.0380 0.00000
706 -0.0623 0.00000
707 0.0299 0.00000
708 -0.0578 0.00000
709 -0.1233 0.00000
710 -0.0329 0.00000
711 -0.0423 0.00000
712 0.0296 0.00000
713 0.0030 0.00000
714 -0.0189 0.00000
715 0.0005 0.00000
716 0.0445 0.00000
717 -0.0294 0.00000
718 -0.0093 0.00000
719 0.0350 0.00000
720 -0.1500 0.00000
721 -0.0402 0.00000
722 -0.0197 0.00000
723 0.0348 0.00000
724 -0.0854 0.00000
725 0.0251 0.00000
726 -0.0609 0.00000
727 0.0051 0.00000
728 -0.0034 0.00000
729 -0.0242 0.00000
730 -0.0491 0.00000
731 0.0334 0.00000
732 -0.0415 0.00000
733 -0.0205 0.00000
734 -0.0669 0.00000
735 -0.0009 0.00000
736 0.1335 0.00000
737 -0.0055 0.00000
738 -0.0227 0.00000
739 0.0273 0.00000
740 0.0548 0.00000
741 -0.0103 0.00000
742 0.0141 0.00000
743 0.0303 0.00000
744 -0.0218 0.00000
745 -0.0151 0.00000
746 0.0072 0.00000
747 0.0356 0.00000
748 0.0557 0.00000
749 -0.0114 0.00000
750 -0.0143 0.00000
751 -0.0250 0.00000
752 0.0879 0.00000
753 -0.0187 0.00000
754 -0.0371 0.00000
755 -0.0468 0.00000
756 0.0047 0.00000
757 -0.0471 0.00000
758 0.0542 0.00000
759 -0.0952 0.00000
760 0.0309 0.00000
761 -0.0469 0.00000
762 -0.0178 0.00000
763 -0.0032 0.00000
764 0.0031 0.00000
765 0.0478 0.00000
766 0.0344 0.00000
767 0.0004 0.00000
768 0.0812 0.00000
769 -0.0565 0.00000
770 0.0074 0.00000
771 -0.0060 0.00000
772 -0.0415 0.00000
773 -0.0451 0.00000
774 0.0375 0.00000
775 -0.0191 0.00000
776 0.0041 0.00000
777 0.0276 0.00000
778 -0.0089 0.00000
779 -0.0510 0.00000
780 0.0038 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.1152 0.00000
5 0.8168 0.00000
6 0.2423 0.00000
7 0.0473 0.00000
8 0.0455 0.00000
9 0.5512 0.00000
10 0.2596 0.00000
11 -0.1933 0.00000
12 0.1252 0.00000
13 -0.0401 0.00000
14 0.0250 0.00000
15 -0.0631 0.00000
16 -0.1707 0.00000
17 0.0939 0.00000
18 -0.0167 0.00000
19 0.0026 0.00000
20 -0.0254 0.00000
21 0.0582 0.00000
22 0.0390 0.00000
23 0.0602 0.00000
24 -0.2031 0.00000
25 0.2977 0.00000
26 0.0439 0.00000
27 0.1449 0.00000
28 0.0537 0.00000
29 -0.0409 0.00000
30 -0.0657 0.00000
31 -0.3849 0.00000
32 -0.0800 0.00000
33 0.0994 0.00000
34 0.1425 0.00000
35 0.0774 0.00000
36 0.0512 0.00000
37 0.0593 0.00000
38 0.1643 0.00000
39 0.0215 0.00000
40 0.0455 0.00000
41 0.4193 0.00000
42 -0.2639 0.00000
43 0.2663 0.00000
44 -0.0460 0.00000
45 -0.1048 0.00000
46 -0.4037 0.00000
47 -0.2964 0.00000
48 0.0805 0.00000
49 0.1471 0.00000
50 -0.3307 0.00000
51 0.1080 0.00000
52 -0.3591 0.00000
53 -0.0001 0.00000
54 0.0764 0.00000
55 0.1753 0.00000
56 0.1145 0.00000
57 0.0182 0.00000
58 0.3857 0.00000
59 0.7810 0.00000
60 -0.9617 0.00000
61 0.0658 0.00000
62 0.0556 0.00000
63 0.0969 0.00000
64 0.4250 0.00000
65 0.3175 0.00000
66 -0.0780 0.00000
67 -1.0721 0.00000
68 0.7701 0.00000
69 0.1325 0.00000
70 0.2075 0.00000
71 0.3490 0.00000
72 0.1037 0.00000
73 0.1432 0.00000
74 0.1231 0.00000
75 -0.0542 0.00000
76 -0.0451 0.00000
77 -0.0271 0.00000
78 0.1965 0.00000
79 -0.2100 0.00000
80 -0.1153 0.00000
81 -0.1597 0.00000
82 0.0872 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0581 0.00000
90 0.0315 0.00000
91 -0.1140 0.00000
92 -0.0361 0.00000
93 -0.1057 0.00000
94 -0.2141 0.00000
95 -0.3289 0.00000
96 -0.2915 0.00000
97 0.0043 0.00000
98 0.1744 0.00000
99 0.2385 0.00000
100 -0.3495 0.00000
101 0.2074 0.00000
102 0.3155 0.00000
103 0.1760 0.00000
104 -0.0722 0.00000
105 0.0428 0.00000
106 -0.0980 0.00000
107 -0.3049 0.00000
108 -0.0017 0.00000
109 -0.0918 0.00000
110 -0.1906 0.00000
111 0.0321 0.00000
112 0.0269 0.00000
113 0.0435 0.00000
114 0.0553 0.00000
115 0.0164 0.00000
116 -0.1522 0.00000
117 0.0429 0.00000
118 -0.1106 0.00000
119 0.0867 0.00000
120 0.0236 0.00000
121 0.2214 0.00000
122 0.0592 0.00000
123 0.0682 0.00000
124 -0.1364 0.00000
125 -0.0310 0.00000
126 0.1451 0.00000
127 -0.1091 0.00000
128 0.0433 0.00000
129 -0.1787 0.00000
130 0.0164 0.00000
131 0.1725 0.00000
132 -0.0988 0.00000
133 -0.1229 0.00000
134 0.0561 0.00000
135 -0.0397 0.00000
136 0.0461 0.00000
137 -0.4236 0.00000
138 0.1916 0.00000
139 0.0467 0.00000
140 -0.0588 0.00000
141 0.0121 0.00000
142 -0.1103 0.00000
143 -0.0619 0.00000
144 -0.1263 0.00000
145 -0.1540 0.00000
146 -0.1091 0.00000
147 -0.0080 0.00000
148 -0.0532 0.00000
149 0.6726 0.00000
150 -0.0310 0.00000
151 -0.1290 0.00000
152 -0.0125 0.00000
153 -0.0823 0.00000
154 -0.2116 0.00000
155 0.1506 0.00000
156 -0.1491 0.00000
157 0.1219 0.00000
158 -0.1035 0.00000
159 0.0857 0.00000
160 0.0464 0.00000
161 -0.0371 0.00000
162 -0.1662 0.00000
163 0.1961 0.00000
164 0.3363 0.00000
165 -0.0095 0.00000
166 -0.0618 0.00000
167 0.0635 0.00000
168 -0.0042 0.00000
169 -0.0258 0.00000
170 -0.0861 0.00000
171 0.1756 0.00000
172 0.0421 0.00000
173 -0.1176 0.00000
174 0.0708 0.00000
175 -0.1022 0.00000
176 0.1606 0.00000
177 0.0694 0.00000
178 -0.1898 0.00000
179 0.0146 0.00000
180 0.0103 0.00000
181 -0.0655 0.00000
182 -0.2163 0.00000
183 0.1458 0.00000
184 -0.0946 0.00000
185 -0.0344 0.00000
186 -0.0307 0.00000
187 0.0121 0.00000
188 -0.1090 0.00000
189 -0.1535 0.00000
190 0.3074 0.00000
191 0.0601 0.00000
192 -0.1162 0.00000
193 0.1961 0.00000
194 0.1396 0.00000
195 -0.0446 0.00000
196 0.2081 0.00000
197 -0.0552 0.00000
198 0.0368 0.00000
199 0.0751 0.00000
200 0.0600 0.00000
201 -0.5695 0.00000
202 -0.1261 0.00000
203 0.0675 0.00000
204 -0.1319 0.00000
205 0.1031 0.00000
206 0.4520 0.00000
207 0.3903 0.00000
208 -0.0510 0.00000
209 0.2633 0.00000
210 0.2065 0.00000
211 -0.2396 0.00000
212 0.1000 0.00000
213 -0.0540 0.00000
214 -0.4783 0.00000
215 0.0784 0.00000
216 0.1419 0.00000
217 -0.0923 0.00000
218 0.1522 0.00000
219 0.1476 0.00000
220 0.3208 0.00000
221 0.3136 0.00000
222 0.1891 0.00000
223 0.0127 0.00000
224 -0.2811 0.00000
225 -0.0387 0.00000
226 0.0770 0.00000
227 -0.0226 0.00000
228 -0.0031 0.00000
229 0.2323 0.00000
230 0.1171 0.00000
231 -0.1036 0.00000
232 -0.0485 0.00000
233 -0.0152 0.00000
234 -0.0000 0.00000
235 -0.1666 0.00000
236 -0.0742 0.00000
237 -0.1593 0.00000
238 -0.0375 0.00000
239 -0.0175 0.00000
240 -0.0860 0.00000
241 -0.1061 0.00000
242 0.1254 0.00000
243 -0.0100 0.00000
244 0.0486 0.00000
245 0.0814 0.00000
246 0.1682 0.00000
247 0.3618 0.00000
248 0.4250 0.00000
249 0.0227 0.00000
250 0.0073 0.00000
251 -0.0155 0.00000
252 -0.4119 0.00000
253 0.0125 0.00000
254 -0.0379 0.00000
255 0.0443 0.00000
256 0.1705 0.00000
257 -0.0552 0.00000
258 0.0776 0.00000
259 0.0020 0.00000
260 -0.0640 0.00000
261 -0.0189 0.00000
262 0.0390 0.00000
263 -0.0439 0.00000
264 0.0789 0.00000
265 -0.0712 0.00000
266 -0.0747 0.00000
267 0.0161 0.00000
268 0.0642 0.00000
269 -0.0963 0.00000
270 0.0211 0.00000
271 -0.0296 0.00000
272 -0.0028 0.00000
273 0.0811 0.00000
274 0.0718 0.00000
275 0.1706 0.00000
276 -0.0414 0.00000
277 -0.0528 0.00000
278 0.0240 0.00000
279 0.0531 0.00000
280 -0.0286 0.00000
281 0.0019 0.00000
282 0.0087 0.00000
283 -0.2350 0.00000
284 -0.0018 0.00000
285 -0.1658 0.00000
286 0.0454 0.00000
287 -0.0807 0.00000
288 -0.0254 0.00000
289 0.0698 0.00000
290 0.0165 0.00000
291 -0.1037 0.00000
292 0.0533 0.00000
293 0.0389 0.00000
294 -0.1198 0.00000
295 -0.0380 0.00000
296 -0.1040 0.00000
297 0.0379 0.00000
298 -0.0761 0.00000
299 0.0153 0.00000
300 0.0193 0.00000
301 -0.0173 0.00000
302 0.0308 0.00000
303 0.0437 0.00000
304 0.1388 0.00000
305 -0.0318 0.00000
306 0.0108 0.00000
307 -0.0200 0.00000
308 -0.0133 0.00000
309 -0.0071 0.00000
310 -0.0882 0.00000
311 0.1429 0.00000
312 -0.0890 0.00000
313 0.0310 0.00000
314 -0.1295 0.00000
315 -0.0085 0.00000
316 0.0253 0.00000
317 0.1032 0.00000
318 0.0581 0.00000
319 0.0669 0.00000
320 0.0149 0.00000
321 -0.0339 0.00000
322 0.1436 0.00000
323 -0.0034 0.00000
324 -0.0444 0.00000
325 -0.0282 0.00000
326 -0.1154 0.00000
327 -0.0727 0.00000
328 0.0067 0.00000
329 -0.0072 0.00000
330 -0.0477 0.00000
331 0.0552 0.00000
332 -0.0265 0.00000
333 -0.0344 0.00000
334 0.0453 0.00000
335 0.0923 0.00000
336 -0.0053 0.00000
337 -0.1275 0.00000
338 -0.1390 0.00000
339 -0.1645 0.00000
340 0.0603 0.00000
341 0.1046 0.00000
342 0.0096 0.00000
343 -0.1304 0.00000
344 0.0520 0.00000
345 -0.0631 0.00000
346 -0.0644 0.00000
347 0.0689 0.00000
348 0.1623 0.00000
349 -0.0363 0.00000
350 -0.1135 0.00000
351 0.0161 0.00000
352 0.0447 0.00000
353 0.0260 0.00000
354 0.1271 0.00000
355 -0.1307 0.00000
356 -0.1208 0.00000
357 0.0414 0.00000
358 0.1566 0.00000
359 -0.0139 0.00000
360 0.0151 0.00000
361 -0.0150 0.00000
362 -0.1870 0.00000
363 0.1886 0.00000
364 0.1796 0.00000
365 0.1795 0.00000
366 -0.1448 0.00000
367 -0.0206 0.00000
368 0.0595 0.00000
369 0.0738 0.00000
370 0.1316 0.00000
371 0.1007 0.00000
372 -0.0709 0.00000
373 0.1557 0.00000
374 0.0549 0.00000
375 -0.0885 0.00000
376 -0.0533 0.00000
377 0.0824 0.00000
378 -0.0845 0.00000
379 -0.0216 0.00000
380 -0.0888 0.00000
381 0.0006 0.00000
382 0.0291 0.00000
383 -0.0340 0.00000
384 0.2175 0.00000
385 -0.0354 0.00000
386 -0.0333 0.00000
387 -0.1592 0.00000
388 -0.1336 0.00000
389 0.1005 0.00000
390 -0.0547 0.00000
391 0.1159 0.00000
392 0.2117 0.00000
393 -0.0644 0.00000
394 0.1212 0.00000
395 0.0658 0.00000
396 -0.1997 0.00000
397 0.1304 0.00000
398 0.0746 0.00000
399 0.0976 0.00000
400 -0.0387 0.00000
401 -0.0427 0.00000
402 0.1384 0.00000
403 0.1854 0.00000
404 0.1676 0.00000
405 0.0208 0.00000
406 0.1157 0.00000
407 0.0755 0.00000
408 0.2722 0.00000
409 -0.0372 0.00000
410 -0.0490 0.00000
411 0.1486 0.00000
412 -0.1712 0.00000
413 0.0662 0.00000
414 -0.1041 0.00000
415 0.0297 0.00000
416 -0.0066 0.00000
417 -0.0070 0.00000
418 -0.0929 0.00000
419 0.0560 0.00000
420 -0.1042 0.00000
421 0.1918 0.00000
422 0.0716 0.00000
423 -0.0276 0.00000
424 -0.0070 0.00000
425 -0.0268 0.00000
426 -0.0575 0.00000
427 -0.0297 0.00000
428 0.0796 0.00000
429 0.0036 0.00000
430 0.0750 0.00000
431 0.0263 0.00000
432 0.0543 0.00000
433 0.0382 0.00000
434 0.0297 0.00000
435 0.0246 0.00000
436 0.0205 0.00000
437 -0.0678 0.00000
438 0.0062 0.00000
439 -0.0321 0.00000
440 -0.0024 0.00000
441 0.0621 0.00000
442 0.0884 0.00000
443 -0.0528 0.00000
444 -0.2560 0.00000
445 -0.1323 0.00000
446 -0.0610 0.00000
447 0.1285 0.00000
448 0.1854 0.00000
449 0.0503 0.00000
450 -0.0646 0.00000
451 -0.0589 0.00000
452 -0.0321 0.00000
453 -0.1126 0.00000
454 0.1644 0.00000
455 -0.0346 0.00000
456 -0.0097 0.00000
457 0.1190 0.00000
458 -0.0262 0.00000
459 0.0756 0.00000
460 0.1453 0.00000
461 0.1052 0.00000
462 -0.1187 0.00000
463 0.1334 0.00000
464 -0.0205 0.00000
465 -0.0108 0.00000
466 0.0678 0.00000
467 0.0197 0.00000
468 -0.0488 0.00000
469 -0.1721 0.00000
470 -0.0354 0.00000
471 0.0170 0.00000
472 -0.0056 0.00000
473 0.0329 0.00000
474 -0.0036 0.00000
475 -0.1017 0.00000
476 -0.1475 0.00000
477 0.0693 0.00000
478 -0.0926 0.00000
479 0.0168 0.00000
480 0.0024 0.00000
481 0.0162 0.00000
482 0.0118 0.00000
483 -0.0440 0.00000
484 -0.0743 0.00000
485 0.0912 0.00000
486 -0.0061 0.00000
487 0.0307 0.00000
488 -0.0637 0.00000
489 -0.0495 0.00000
490 -0.1087 0.00000
491 0.0537 0.00000
492 0.0719 0.00000
493 -0.0848 0.00000
494 0.1217 0.00000
495 0.0076 0.00000
496 -0.0475 0.00000
497 -0.0064 0.00000
498 -0.0524 0.00000
499 -0.0072 0.00000
500 -0.0105 0.00000
501 0.0400 0.00000
502 -0.0765 0.00000
503 0.0151 0.00000
504 -0.0794 0.00000
505 -0.1336 0.00000
506 0.0092 0.00000
507 0.0529 0.00000
508 -0.0035 0.00000
509 -0.0365 0.00000
510 0.1207 0.00000
511 0.0040 0.00000
512 -0.0342 0.00000
513 -0.0157 0.00000
514 0.0193 0.00000
515 -0.1158 0.00000
516 0.0210 0.00000
517 0.1551 0.00000
518 -0.1478 0.00000
519 -0.2763 0.00000
520 0.0548 0.00000
521 0.0005 0.00000
522 0.0878 0.00000
523 -0.3771 0.00000
524 -0.0159 0.00000
525 0.1878 0.00000
526 0.1122 0.00000
527 0.0248 0.00000
528 0.0235 0.00000
529 0.1282 0.00000
530 0.1150 0.00000
531 0.0266 0.00000
532 0.0330 0.00000
533 0.1636 0.00000
534 -0.0051 0.00000
535 0.1961 0.00000
536 0.1297 0.00000
537 -0.1085 0.00000
538 0.2455 0.00000
539 0.0388 0.00000
540 0.1094 0.00000
541 0.0574 0.00000
542 -0.0014 0.00000
543 0.3168 0.00000
544 0.1119 0.00000
545 -0.0574 0.00000
546 0.0328 0.00000
547 0.0749 0.00000
548 -0.0553 0.00000
549 -0.0098 0.00000
550 -0.0506 0.00000
551 -0.0089 0.00000
552 0.0853 0.00000
553 -0.0106 0.00000
554 0.0107 0.00000
555 0.0405 0.00000
556 0.0542 0.00000
557 0.0344 0.00000
558 0.2135 0.00000
559 -0.0327 0.00000
560 -0.0690 0.00000
561 0.0434 0.00000
562 0.0041 0.00000
563 0.0097 0.00000
564 0.0923 0.00000
565 0.0718 0.00000
566 0.0811 0.00000
567 0.0465 0.00000
568 -0.0054 0.00000
569 -0.0349 0.00000
570 0.0047 0.00000
571 -0.0602 0.00000
572 -0.0238 0.00000
573 -0.1150 0.00000
574 -0.0029 0.00000
575 0.0262 0.00000
576 -0.1897 0.00000
577 0.0691 0.00000
578 -0.0240 0.00000
579 -0.0467 0.00000
580 -0.0897 0.00000
581 -0.0110 0.00000
582 -0.0628 0.00000
583 0.0521 0.00000
584 0.1405 0.00000
585 -0.1080 0.00000
586 -0.0052 0.00000
587 0.0571 0.00000
588 -0.1170 0.00000
589 0.0247 0.00000
590 -0.1287 0.00000
591 -0.0804 0.00000
592 -0.0416 0.00000
593 -0.0303 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1003 0.00000
597 -0.1191 0.00000
598 0.0713 0.00000
599 0.0065 0.00000
600 -0.0253 0.00000
601 -0.0113 0.00000
602 0.0338 0.00000
603 -0.0035 0.00000
604 -0.1012 0.00000
605 0.1273 0.00000
606 -0.0695 0.00000
607 0.0205 0.00000
608 -0.0030 0.00000
609 -0.0335 0.00000
610 0.0158 0.00000
611 0.0765 0.00000
612 -0.0280 0.00000
613 -0.0421 0.00000
614 -0.0418 0.00000
615 -0.0395 0.00000
616 0.0747 0.00000
617 -0.1167 0.00000
618 0.0358 0.00000
619 -0.0090 0.00000
620 0.0217 0.00000
621 -0.0152 0.00000
622 0.1857 0.00000
623 0.0145 0.00000
624 -0.0209 0.00000
625 0.0046 0.00000
626 -0.1098 0.00000
627 0.0329 0.00000
628 0.0920 0.00000
629 -0.0971 0.00000
630 0.0532 0.00000
631 0.0299 0.00000
632 -0.0042 0.00000
633 -0.0037 0.00000
634 0.0454 0.00000
635 -0.0249 0.00000
636 -0.0267 0.00000
637 -0.0257 0.00000
638 0.0530 0.00000
639 -0.0524 0.00000
640 0.0238 0.00000
641 -0.0611 0.00000
642 -0.0086 0.00000
643 -0.0716 0.00000
644 0.0165 0.00000
645 0.0217 0.00000
646 0.0151 0.00000
647 -0.0408 0.00000
648 -0.0586 0.00000
649 -0.0468 0.00000
650 -0.0190 0.00000
651 -0.0956 0.00000
652 -0.0159 0.00000
653 -0.0375 0.00000
654 0.0373 0.00000
655 0.0845 0.00000
656 -0.0368 0.00000
657 0.0052 0.00000
658 0.0242 0.00000
659 -0.0423 0.00000
660 0.0617 0.00000
661 -0.0107 0.00000
662 -0.0320 0.00000
663 -0.0564 0.00000
664 0.0046 0.00000
665 0.0104 0.00000
666 -0.0732 0.00000
667 -0.0707 0.00000
668 -0.0809 0.00000
669 -0.0356 0.00000
670 -0.0806 0.00000
671 -0.0338 0.00000
672 0.0064 0.00000
673 -0.0094 0.00000
674 0.0294 0.00000
675 -0.0505 0.00000
676 -0.0325 0.00000
677 -0.0329 0.00000
678 -0.0649 0.00000
679 0.0087 0.00000
680 -0.0687 0.00000
681 -0.1004 0.00000
682 -0.1113 0.00000
683 0.0039 0.00000
684 -0.1068 0.00000
685 0.0265 0.00000
686 0.0369 0.00000
687 -0.0285 0.00000
688 0.0181 0.00000
689 -0.0339 0.00000
690 0.0081 0.00000
691 0.0267 0.00000
692 -0.0869 0.00000
693 -0.0686 0.00000
694 -0.0519 0.00000
695 -0.0220 0.00000
696 -0.1420 0.00000
697 0.0310 0.00000
698 -0.0206 0.00000
699 -0.0016 0.00000
700 -0.0378 0.00000
701 -0.0133 0.00000
702 0.0233 0.00000
703 0.0016 0.00000
704 -0.0301 0.00000
705 -0.0397 0.00000
706 0.0245 0.00000
707 -0.0054 0.00000
708 0.0235 0.00000
709 -0.0406 0.00000
710 0.0065 0.00000
711 0.0017 0.00000
712 0.0025 0.00000
713 -0.0410 0.00000
714 0.0081 0.00000
715 -0.0660 0.00000
716 -0.0013 0.00000
717 -0.0528 0.00000
718 -0.0298 0.00000
719 -0.0225 0.00000
720 -0.0504 0.00000
721 -0.0553 0.00000
722 -0.0207 0.00000
723 -0.0071 0.00000
724 0.0051 0.00000
725 -0.0243 0.00000
726 -0.0430 0.00000
727 0.0252 0.00000
728 -0.0262 0.00000
729 0.0003 0.00000
730 -0.0312 0.00000
731 -0.0601 0.00000
732 0.0348 0.00000
733 0.0195 0.00000
734 -0.0287 0.00000
735 0.0366 0.00000
736 -0.0016 0.00000
737 0.0286 0.00000
738 0.0377 0.00000
739 0.0044 0.00000
740 -0.0127 0.00000
741 -0.0440 0.00000
742 -0.0002 0.00000
743 0.0464 0.00000
744 -0.0520 0.00000
745 -0.0496 0.00000
746 -0.0182 0.00000
747 -0.0008 0.00000
748 0.0036 0.00000
749 0.0097 0.00000
750 -0.0412 0.00000
751 -0.0145 0.00000
752 -0.1093 0.00000
753 -0.0345 0.00000
754 0.0041 0.00000
755 0.0001 0.00000
756 0.0040 0.00000
757 0.0179 0.00000
758 -0.0161 0.00000
759 -0.0154 0.00000
760 0.0539 0.00000
761 -0.0828 0.00000
762 -0.0795 0.00000
763 0.0275 0.00000
764 -0.0047 0.00000
765 -0.0364 0.00000
766 0.0404 0.00000
767 0.0379 0.00000
768 0.0130 0.00000
769 0.0150 0.00000
770 -0.0543 0.00000
771 0.0614 0.00000
772 -0.0003 0.00000
773 0.0433 0.00000
774 0.0193 0.00000
775 -0.0241 0.00000
776 -0.0216 0.00000
777 -0.0149 0.00000
778 -0.0834 0.00000
779 -0.0115 0.00000
780 -0.0166 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0422 0.00000
4 0.1036 0.00000
5 0.8300 0.00000
6 0.2369 0.00000
7 0.0512 0.00000
8 0.0444 0.00000
9 0.5512 0.00000
10 0.2628 0.00000
11 -0.1929 0.00000
12 0.1214 0.00000
13 -0.0391 0.00000
14 0.0245 0.00000
15 -0.0627 0.00000
16 -0.1265 0.00000
17 0.0823 0.00000
18 -0.0129 0.00000
19 -0.0777 0.00000
20 0.0052 0.00000
21 0.0582 0.00000
22 0.0715 0.00000
23 0.0211 0.00000
24 -0.0577 0.00000
25 0.1427 0.00000
26 0.1541 0.00000
27 0.0287 0.00000
28 0.1131 0.00000
29 -0.1234 0.00000
30 -0.0727 0.00000
31 -0.3081 0.00000
32 -0.0969 0.00000
33 0.1118 0.00000
34 0.1278 0.00000
35 0.0976 0.00000
36 0.0372 0.00000
37 0.0530 0.00000
38 0.1178 0.00000
39 0.0784 0.00000
40 0.0204 0.00000
41 0.4444 0.00000
42 -0.2694 0.00000
43 0.2682 0.00000
44 -0.0723 0.00000
45 -0.0753 0.00000
46 -0.2175 0.00000
47 -0.3682 0.00000
48 0.1067 0.00000
49 -0.0712 0.00000
50 -0.7610 0.00000
51 -0.0191 0.00000
52 0.3269 0.00000
53 -0.0356 0.00000
54 0.1724 0.00000
55 0.1700 0.00000
56 0.0802 0.00000
57 0.0302 0.00000
58 0.5253 0.00000
59 -0.7502 0.00000
60 0.4730 0.00000
61 0.0601 0.00000
62 -0.2128 0.00000
63 0.3808 0.00000
64 0.1267 0.00000
65 0.5176 0.00000
66 -0.1053 0.00000
67 -0.9262 0.00000
68 0.6096 0.00000
69 0.1297 0.00000
70 0.2064 0.00000
71 0.3520 0.00000
72 0.1039 0.00000
73 0.1441 0.00000
74 0.1222 0.00000
75 -0.0661 0.00000
76 -0.0260 0.00000
77 -0.0200 0.00000
78 -0.2992 0.00000
79 0.2735 0.00000
80 -0.1157 0.00000
81 -0.1590 0.00000
82 0.0873 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0584 0.00000
90 0.0311 0.00000
91 -0.0807 0.00000
92 -0.0596 0.00000
93 -0.1084 0.00000
94 -0.2328 0.00000
95 -0.3309 0.00000
96 -0.2846 0.00000
97 0.0294 0.00000
98 0.1071 0.00000
99 0.1304 0.00000
100 0.0521 0.00000
101 -0.0394 0.00000
102 0.3400 0.00000
103 0.0413 0.00000
104 0.0455 0.00000
105 0.0437 0.00000
106 -0.1363 0.00000
107 -0.2823 0.00000
108 -0.0569 0.00000
109 -0.0960 0.00000
110 -0.0605 0.00000
111 -0.0246 0.00000
112 0.0409 0.00000
113 0.0309 0.00000
114 -0.0161 0.00000
115 0.1270 0.00000
116 -0.1829 0.00000
117 0.0339 0.00000
118 -0.1187 0.00000
119 0.1409 0.00000
120 -0.0552 0.00000
121 0.2706 0.00000
122 0.0526 0.00000
123 -0.0869 0.00000
124 0.0117 0.00000
125 -0.0344 0.00000
126 0.1606 0.00000
127 -0.0979 0.00000
128 -0.0037 0.00000
129 -0.2162 0.00000
130 0.0750 0.00000
131 0.1063 0.00000
132 -0.0719 0.00000
133 -0.0960 0.00000
134 0.0625 0.00000
135 -0.0390 0.00000
136 0.0687 0.00000
137 -0.5172 0.00000
138 0.2643 0.00000
139 0.0448 0.00000
140 -0.0662 0.00000
141 0.0143 0.00000
142 -0.1096 0.00000
143 -0.0594 0.00000
144 -0.1200 0.00000
145 -0.1567 0.00000
146 -0.1095 0.00000
147 -0.0079 0.00000
148 -0.0162 0.00000
149 0.6355 0.00000
150 0.0126 0.00000
151 -0.2304 0.00000
152 0.0411 0.00000
153 0.0659 0.00000
154 -0.3273 0.00000
155 0.0186 0.00000
156 0.0067 0.00000
157 0.0363 0.00000
158 0.0121 0.00000
159 0.2053 0.00000
160 -0.1422 0.00000
161 -0.0002 0.00000
162 -0.2174 0.00000
163 0.0772 0.00000
164 0.2362 0.00000
165 0.2681 0.00000
166 0.0091 0.00000
167 -0.0505 0.00000
168 0.0972 0.00000
169 0.0041 0.00000
170 -0.0912 0.00000
171 -0.0663 0.00000
172 0.1529 0.00000
173 0.0833 0.00000
174 -0.0576 0.00000
175 -0.1929 0.00000
176 -0.0095 0.00000
177 -0.0558 0.00000
178 0.0428 0.00000
179 0.0330 0.00000
180 0.0236 0.00000
181 -0.2915 0.00000
182 0.2377 0.00000
183 -0.0186 0.00000
184 -0.0591 0.00000
185 -0.0550 0.00000
186 -0.1180 0.00000
187 0.0066 0.00000
188 -0.0135 0.00000
189 0.0460 0.00000
190 0.0200 0.00000
191 0.0273 0.00000
192 0.1097 0.00000
193 0.0733 0.00000
194 -0.0179 0.00000
195 0.0403 0.00000
196 0.2045 0.00000
197 -0.0786 0.00000
198 0.0603 0.00000
199 0.0091 0.00000
200 -0.2733 0.00000
201 0.0470 0.00000
202 -0.0209 0.00000
203 0.0828 0.00000
204 -0.0228 0.00000
205 -0.2502 0.00000
206 0.3588 0.00000
207 0.1405 0.00000
208 -0.0450 0.00000
209 0.7806 0.00000
210 -0.0063 0.00000
211 -0.1321 0.00000
212 0.1491 0.00000
213 -0.6516 0.00000
214 0.0465 0.00000
215 -0.0490 0.00000
216 0.0330 0.00000
217 0.1161 0.00000
218 -0.0407 0.00000
219 0.4865 0.00000
220 0.1310 0.00000
221 0.4249 0.00000
222 -0.0024 0.00000
223 0.0902 0.00000
224 -0.2039 0.00000
225 -0.1095 0.00000
226 0.0324 0.00000
227 -0.0102 0.00000
228 -0.0059 0.00000
229 0.2366 0.00000
230 0.1179 0.00000
231 -0.1006 0.00000
232 -0.0446 0.00000
233 -0.0151 0.00000
234 0.0006 0.00000
235 -0.1943 0.00000
236 -0.0539 0.00000
237 -0.0094 0.00000
238 -0.1821 0.00000
239 -0.0438 0.00000
240 -0.0712 0.00000
241 -0.0248 0.00000
242 0.0872 0.00000
243 -0.0012 0.00000
244 0.0611 0.00000
245 0.1267 0.00000
246 0.2209 0.00000
247 -0.0408 0.00000
248 0.4490 0.00000
249 0.2353 0.00000
250 0.1382 0.00000
251 -0.0975 0.00000
252 -0.2319 0.00000
253 -0.0911 0.00000
254 -0.0524 0.00000
255 -0.1164 0.00000
256 0.1727 0.00000
257 0.0432 0.00000
258 -0.0495 0.00000
259 0.0897 0.00000
260 -0.0792 0.00000
261 0.0077 0.00000
262 -0.0443 0.00000
263 0.0274 0.00000
264 0.0235 0.00000
265 0.0497 0.00000
266 -0.0547 0.00000
267 -0.0990 0.00000
268 0.0381 0.00000
269 -0.0023 0.00000
270 0.0217 0.00000
271 -0.0352 0.00000
272 0.0826 0.00000
273 -0.0162 0.00000
274 0.0990 0.00000
275 0.0276 0.00000
276 0.0874 0.00000
277 0.0013 0.00000
278 -0.0767 0.00000
279 0.0094 0.00000
280 0.0415 0.00000
281 -0.1410 0.00000
282 0.0262 0.00000
283 -0.0386 0.00000
284 -0.0075 0.00000
285 -0.0517 0.00000
286 -0.1465 0.00000
287 -0.1148 0.00000
288 -0.0274 0.00000
289 0.0758 0.00000
290 -0.0401 0.00000
291 -0.0093 0.00000
292 0.0440 0.00000
293 -0.0202 0.00000
294 0.0238 0.00000
295 -0.1908 0.00000
296 -0.0299 0.00000
297 -0.1000 0.00000
298 0.0208 0.00000
299 -0.0843 0.00000
300 0.0512 0.00000
301 0.0324 0.00000
302 0.0423 0.00000
303 0.0001 0.00000
304 -0.0205 0.00000
305 0.1193 0.00000
306 -0.0546 0.00000
307 0.1827 0.00000
308 0.0071 0.00000
309 0.1117 0.00000
310 0.0100 0.00000
311 -0.0093 0.00000
312 -0.1052 0.00000
313 -0.1245 0.00000
314 0.0437 0.00000
315 -0.1166 0.00000
316 0.0517 0.00000
317 0.0508 0.00000
318 -0.0049 0.00000
319 0.0348 0.00000
320 0.0435 0.00000
321 0.1186 0.00000
322 0.0267 0.00000
323 -0.1078 0.00000
324 0.0549 0.00000
325 -0.1085 0.00000
326 0.0456 0.00000
327 -0.0524 0.00000
328 0.0048 0.00000
329 0.1211 0.00000
330 -0.0204 0.00000
331 0.0326 0.00000
332 -0.0957 0.00000
333 -0.0536 0.00000
334 -0.0406 0.00000
335 0.0051 0.00000
336 -0.0668 0.00000
337 0.0240 0.00000
338 0.0611 0.00000
339 0.0482 0.00000
340 -0.1292 0.00000
341 -0.0207 0.00000
342 -0.1305 0.00000
343 -0.1102 0.00000
344 -0.0402 0.00000
345 0.0726 0.00000
346 -0.1879 0.00000
347 -0.0603 0.00000
348 -0.1476 0.00000
349 0.0756 0.00000
350 0.1855 0.00000
351 -0.0690 0.00000
352 -0.1319 0.00000
353 0.0325 0.00000
354 -0.0085 0.00000
355 0.2622 0.00000
356 -0.0313 0.00000
357 0.1058 0.00000
358 -0.1000 0.00000
359 0.2142 0.00000
360 -0.0146 0.00000
361 0.1010 0.00000
362 0.3635 0.00000
363 0.1318 0.00000
364 -0.0343 0.00000
365 -0.1369 0.00000
366 -0.0143 0.00000
367 -0.0012 0.00000
368 -0.0095 0.00000
369 -0.0101 0.00000
370 -0.0208 0.00000
371 0.0986 0.00000
372 0.3007 0.00000
373 -0.0174 0.00000
374 -0.0305 0.00000
375 -0.0873 0.00000
376 -0.2016 0.00000
377 0.0205 0.00000
378 -0.0410 0.00000
379 -0.0248 0.00000
380 -0.0724 0.00000
381 -0.0818 0.00000
382 -0.0423 0.00000
383 -0.0460 0.00000
384 0.0407 0.00000
385 0.0684 0.00000
386 0.1405 0.00000
387 0.0277 0.00000
388 -0.1309 0.00000
389 0.1586 0.00000
390 -0.0421 0.00000
391 0.0749 0.00000
392 0.0827 0.00000
393 0.0937 0.00000
394 0.0264 0.00000
395 -0.0461 0.00000
396 0.0921 0.00000
397 0.0504 0.00000
398 -0.0448 0.00000
399 0.1394 0.00000
400 0.0629 0.00000
401 0.0773 0.00000
402 0.0231 0.00000
403 0.2535 0.00000
404 0.0132 0.00000
405 0.0477 0.00000
406 -0.0716 0.00000
407 -0.0058 0.00000
408 0.1596 0.00000
409 0.1520 0.00000
410 -0.0418 0.00000
411 0.1299 0.00000
412 0.1849 0.00000
413 -0.0743 0.00000
414 0.0068 0.00000
415 0.0077 0.00000
416 0.0491 0.00000
417 -0.0032 0.00000
418 -0.1964 0.00000
419 -0.0659 0.00000
420 0.0573 0.00000
421 -0.0804 0.00000
422 0.1598 0.00000
423 -0.0822 0.00000
424 0.1687 0.00000
425 0.0670 0.00000
426 -0.0035 0.00000
427 -0.0413 0.00000
428 0.0448 0.00000
429 0.0322 0.00000
430 0.0541 0.00000
431 0.0188 0.00000
432 0.0063 0.00000
433 -0.0335 0.00000
434 0.0077 0.00000
435 0.0135 0.00000
436 -0.0436 0.00000
437 -0.0713 0.00000
438 0.0191 0.00000
439 0.0362 0.00000
440 0.0162 0.00000
441 -0.0207 0.00000
442 -0.0115 0.00000
443 0.0108 0.00000
444 0.0423 0.00000
445 0.0813 0.00000
446 0.0400 0.00000
447 -0.1781 0.00000
448 -0.0203 0.00000
449 0.0073 0.00000
450 -0.1474 0.00000
451 -0.1211 0.00000
452 0.0926 0.00000
453 0.0313 0.00000
454 -0.0598 0.00000
455 0.0641 0.00000
456 -0.0041 0.00000
457 0.0353 0.00000
458 0.1078 0.00000
459 0.0809 0.00000
460 0.0035 0.00000
461 0.1201 0.00000
462 0.0241 0.00000
463 -0.0521 0.00000
464 0.1348 0.00000
465 0.0263 0.00000
466 -0.0353 0.00000
467 -0.1176 0.00000
468 -0.0100 0.00000
469 0.0478 0.00000
470 -0.0238 0.00000
471 -0.1038 0.00000
472 0.0048 0.00000
473 0.0495 0.00000
474 -0.0361 0.00000
475 -0.0721 0.00000
476 0.0536 0.00000
477 -0.1702 0.00000
478 0.0658 0.00000
479 -0.0856 0.00000
480 -0.1179 0.00000
481 -0.0116 0.00000
482 0.0464 0.00000
483 -0.0255 0.00000
484 0.0811 0.00000
485 0.0000 0.00000
486 0.0716 0.00000
487 -0.0381 0.00000
488 0.0417 0.00000
489 -0.0276 0.00000
490 -0.0570 0.00000
491 -0.0050 0.00000
492 -0.1507 0.00000
493 -0.1185 0.00000
494 0.0897 0.00000
495 -0.0453 0.00000
496 -0.0481 0.00000
497 0.0350 0.00000
498 0.0629 0.00000
499 0.0265 0.00000
500 0.0298 0.00000
501 -0.0141 0.00000
502 -0.0604 0.00000
503 -0.0003 0.00000
504 -0.1044 0.00000
505 -0.0290 0.00000
506 0.0470 0.00000
507 0.0707 0.00000
508 0.0045 0.00000
509 -0.0977 0.00000
510 -0.0210 0.00000
511 -0.0147 0.00000
512 -0.0198 0.00000
513 0.2953 0.00000
514 -0.1199 0.00000
515 -0.0201 0.00000
516 0.0294 0.00000
517 -0.0174 0.00000
518 -0.1957 0.00000
519 -0.0167 0.00000
520 -0.2346 0.00000
521 -0.1521 0.00000
522 -0.0170 0.00000
523 0.0736 0.00000
524 0.0566 0.00000
525 0.0787 0.00000
526 0.0420 0.00000
527 0.0559 0.00000
528 0.1817 0.00000
529 0.0308 0.00000
530 0.0213 0.00000
531 0.0849 0.00000
532 0.0643 0.00000
533 0.1275 0.00000
534 0.1162 0.00000
535 0.0609 0.00000
536 0.2944 0.00000
537 0.2386 0.00000
538 -0.1263 0.00000
539 0.1085 0.00000
540 -0.0862 0.00000
541 -0.0583 0.00000
542 0.1999 0.00000
543 0.0642 0.00000
544 0.0155 0.00000
545 -0.1643 0.00000
546 0.2068 0.00000
547 0.0621 0.00000
548 -0.1336 0.00000
549 0.0919 0.00000
550 0.0425 0.00000
551 0.0771 0.00000
552 -0.0725 0.00000
553 0.0422 0.00000
554 0.1018 0.00000
555 -0.0201 0.00000
556 0.1332 0.00000
557 -0.0090 0.00000
558 0.0761 0.00000
559 0.0155 0.00000
560 0.0742 0.00000
561 0.0651 0.00000
562 0.0101 0.00000
563 -0.0427 0.00000
564 0.0497 0.00000
565 0.1642 0.00000
566 0.0379 0.00000
567 0.0115 0.00000
568 -0.0321 0.00000
569 -0.0073 0.00000
570 -0.0422 0.00000
571 -0.0992 0.00000
572 -0.0097 0.00000
573 -0.0140 0.00000
574 0.0377 0.00000
575 -0.0589 0.00000
576 -0.1153 0.00000
577 -0.0587 0.00000
578 0.0213 0.00000
579 -0.0008 0.00000
580 -0.0544 0.00000
581 -0.1278 0.00000
582 0.0967 0.00000
583 -0.1048 0.00000
584 0.2273 0.00000
585 -0.1128 0.00000
586 -0.0349 0.00000
587 0.0486 0.00000
588 -0.1016 0.00000
589 0.0245 0.00000
590 -0.1271 0.00000
591 -0.0874 0.00000
592 -0.0404 0.00000
593 -0.0300 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1005 0.00000
597 -0.1192 0.00000
598 0.0781 0.00000
599 -0.0512 0.00000
600 0.0457 0.00000
601 0.0327 0.00000
602 -0.1460 0.00000
603 0.1635 0.00000
604 -0.1425 0.00000
605 0.0686 0.00000
606 0.0441 0.00000
607 -0.0812 0.00000
608 0.0498 0.00000
609 0.0195 0.00000
610 0.0521 0.00000
611 -0.1043 0.00000
612 0.0264 0.00000
613 -0.1182 0.00000
614 0.0348 0.00000
615 0.1366 0.00000
616 0.0499 0.00000
617 -0.0422 0.00000
618 -0.0642 0.00000
619 -0.0496 0.00000
620 0.0199 0.00000
621 -0.0725 0.00000
622 0.0181 0.00000
623 -0.0561 0.00000
624 0.0065 0.00000
625 0.0769 0.00000
626 0.0860 0.00000
627 -0.0455 0.00000
628 0.0339 0.00000
629 0.0051 0.00000
630 -0.0129 0.00000
631 0.0874 0.00000
632 -0.0356 0.00000
633 -0.0273 0.00000
634 0.0706 0.00000
635 -0.0433 0.00000
636 -0.0634 0.00000
637 -0.0400 0.00000
638 0.0487 0.00000
639 0.0696 0.00000
640 -0.0491 0.00000
641 0.0149 0.00000
642 -0.0001 0.00000
643 -0.1040 0.00000
644 -0.0081 0.00000
645 -0.0153 0.00000
646 -0.0056 0.00000
647 -0.0161 0.00000
648 -0.0325 0.00000
649 0.0233 0.00000
650 -0.0216 0.00000
651 -0.0254 0.00000
652 0.0439 0.00000
653 0.0321 0.00000
654 0.0062 0.00000
655 -0.0306 0.00000
656 0.0169 0.00000
657 0.0114 0.00000
658 -0.0459 0.00000
659 -0.0212 0.00000
660 0.0338 0.00000
661 0.0404 0.00000
662 -0.0586 0.00000
663 -0.0947 0.00000
664 -0.0040 0.00000
665 -0.0341 0.00000
666 -0.0353 0.00000
667 0.0131 0.00000
668 -0.0327 0.00000
669 -0.0459 0.00000
670 -0.0484 0.00000
671 -0.0251 0.00000
672 -0.0350 0.00000
673 -0.0902 0.00000
674 -0.0798 0.00000
675 -0.1188 0.00000
676 -0.0201 0.00000
677 -0.0502 0.00000
678 -0.0063 0.00000
679 -0.1422 0.00000
680 -0.0717 0.00000
681 -0.0167 0.00000
682 0.0086 0.00000
683 -0.0484 0.00000
684 -0.0292 0.00000
685 -0.0737 0.00000
686 0.0644 0.00000
687 -0.0873 0.00000
688 -0.0279 0.00000
689 -0.0626 0.00000
690 -0.0157 0.00000
691 -0.0763 0.00000
692 -0.0108 0.00000
693 -0.0669 0.00000
694 -0.0644 0.00000
695 -0.0113 0.00000
696 0.0506 0.00000
697 -0.0268 0.00000
698 -0.0012 0.00000
699 0.0163 0.00000
700 0.0713 0.00000
701 -0.0244 0.00000
702 -0.0254 0.00000
703 -0.0332 0.00000
704 -0.0045 0.00000
705 0.0293 0.00000
706 0.0045 0.00000
707 -0.0732 0.00000
708 -0.0174 0.00000
709 -0.0898 0.00000
710 0.0023 0.00000
711 0.0483 0.00000
712 -0.1410 0.00000
713 -0.0166 0.00000
714 -0.0490 0.00000
715 0.0517 0.00000
716 -0.0460 0.00000
717 -0.0649 0.00000
718 -0.0051 0.00000
719 -0.0059 0.00000
720 -0.0308 0.00000
721 0.0294 0.00000
722 0.0067 0.00000
723 -0.0182 0.00000
724 0.0169 0.00000
725 -0.0510 0.00000
726 -0.0089 0.00000
727 -0.0434 0.00000
728 -0.0482 0.00000
729 0.0114 0.00000
730 0.0092 0.00000
731 0.0709 0.00000
732 0.0259 0.00000
733 -0.0332 0.00000
734 -0.0067 0.00000
735 0.0593 0.00000
736 -0.0149 0.00000
737 -0.0059 0.00000
738 -0.0682 0.00000
739 -0.0354 0.00000
740 -0.0321 0.00000
741 0.0260 0.00000
742 -0.0515 0.00000
743 -0.0015 0.00000
744 -0.0378 0.00000
745 -0.0119 0.00000
746 -0.0114 0.00000
747 0.0232 0.00000
748 -0.0794 0.00000
749 0.0143 0.00000
750 0.0456 0.00000
751 -0.0674 0.00000
752 0.0705 0.00000
753 0.0694 0.00000
754 -0.0442 0.00000
755 -0.0402 0.00000
756 0.0003 0.00000
757 0.0421 0.00000
758 -0.0187 0.00000
759 0.0356 0.00000
760 0.0744 0.00000
761 -0.0455 0.00000
762 0.0053 0.00000
763 0.0466 0.00000
764 -0.0562 0.00000
765 -0.0074 0.00000
766 -0.0058 0.00000
767 0.0405 0.00000
768 0.0101 0.00000
769 -0.0193 0.00000
770 0.0226 0.00000
771 -0.0634 0.00000
772 -0.0441 0.00000
773 -0.0161 0.00000
774 -0.0092 0.00000
775 0.0454 0.00000
776 0.0645 0.00000
777 -0.0202 0.00000
778 0.0063 0.00000
779 -0.0146 0.00000
780 -0.0137 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.1011 0.00000
5 0.8308 0.00000
6 0.2441 0.00000
7 0.0440 0.00000
8 0.0477 0.00000
9 0.5536 0.00000
10 0.2571 0.00000
11 -0.1942 0.00000
12 0.1254 0.00000
13 -0.0402 0.00000
14 0.0251 0.00000
15 -0.0619 0.00000
16 -0.1704 0.00000
17 0.0886 0.00000
18 -0.0075 0.00000
19 -0.0349 0.00000
20 0.0056 0.00000
21 0.0581 0.00000
22 0.0366 0.00000
23 -0.0076 0.00000
24 -0.1749 0.00000
25 0.3321 0.00000
26 0.0080 0.00000
27 0.1738 0.00000
28 0.2194 0.00000
29 -0.1871 0.00000
30 -0.0728 0.00000
31 -0.3982 0.00000
32 -0.0478 0.00000
33 0.1067 0.00000
34 0.1465 0.00000
35 0.0770 0.00000
36 0.0264 0.00000
37 0.0567 0.00000
38 0.1660 0.00000
39 0.0208 0.00000
40 0.0111 0.00000
41 0.4078 0.00000
42 -0.2483 0.00000
43 0.2628 0.00000
44 -0.0917 0.00000
45 0.0072 0.00000
46 -0.4066 0.00000
47 -0.3227 0.00000
48 0.0960 0.00000
49 -0.0368 0.00000
50 -0.1515 0.00000
51 0.0756 0.00000
52 -0.2842 0.00000
53 -0.0474 0.00000
54 0.0803 0.00000
55 0.1458 0.00000
56 0.0807 0.00000
57 0.0301 0.00000
58 0.3188 0.00000
59 0.8382 0.00000
60 -0.8863 0.00000
61 0.1214 0.00000
62 0.5839 0.00000
63 -0.0361 0.00000
64 -0.7503 0.00000
65 0.4189 0.00000
66 0.1351 0.00000
67 1.1529 0.00000
68 -1.0038 0.00000
69 0.1050 0.00000
70 0.3494 0.00000
71 0.1903 0.00000
72 0.1033 0.00000
73 0.0842 0.00000
74 0.1346 0.00000
75 -0.0541 0.00000
76 -0.0323 0.00000
77 -0.0120 0.00000
78 0.2372 0.00000
79 -0.2575 0.00000
80 -0.1134 0.00000
81 -0.1600 0.00000
82 0.0877 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0590 0.00000
90 0.0296 0.00000
91 -0.1060 0.00000
92 -0.0368 0.00000
93 -0.1335 0.00000
94 -0.2287 0.00000
95 -0.3086 0.00000
96 -0.2470 0.00000
97 0.0203 0.00000
98 0.1937 0.00000
99 0.2335 0.00000
100 -0.3724 0.00000
101 0.1514 0.00000
102 0.3325 0.00000
103 0.1540 0.00000
104 -0.0579 0.00000
105 0.0260 0.00000
106 -0.0850 0.00000
107 -0.3936 0.00000
108 0.0760 0.00000
109 0.0452 0.00000
110 -0.3624 0.00000
111 0.0568 0.00000
112 0.0390 0.00000
113 0.0637 0.00000
114 0.1003 0.00000
115 -0.0221 0.00000
116 -0.1555 0.00000
117 0.0375 0.00000
118 -0.1113 0.00000
119 0.1422 0.00000
120 -0.0323 0.00000
121 0.1687 0.00000
122 0.1181 0.00000
123 0.0545 0.00000
124 -0.1030 0.00000
125 -0.0506 0.00000
126 0.1405 0.00000
127 -0.1069 0.00000
128 0.0385 0.00000
129 -0.1771 0.00000
130 0.0458 0.00000
131 0.1886 0.00000
132 -0.1845 0.00000
133 -0.0858 0.00000
134 0.0670 0.00000
135 -0.0397 0.00000
136 0.0023 0.00000
137 -0.3854 0.00000
138 0.2083 0.00000
139 0.0447 0.00000
140 -0.0699 0.00000
141 0.0137 0.00000
142 -0.1124 0.00000
143 -0.0601 0.00000
144 -0.1257 0.00000
145 -0.1513 0.00000
146 -0.1156 0.00000
147 -0.0051 0.00000
148 -0.0713 0.00000
149 0.7048 0.00000
150 -0.0310 0.00000
151 -0.0936 0.00000
152 -0.1547 0.00000
153 -0.1799 0.00000
154 -0.0327 0.00000
155 0.1289 0.00000
156 0.1476 0.00000
157 0.0216 0.00000
158 -0.2058 0.00000
159 0.0295 0.00000
160 0.0867 0.00000
161 -0.2287 0.00000
162 -0.0586 0.00000
163 0.2769 0.00000
164 0.1784 0.00000
165 0.0594 0.00000
166 -0.0021 0.00000
167 0.0769 0.00000
168 0.0870 0.00000
169 0.0210 0.00000
170 -0.1299 0.00000
171 -0.0477 0.00000
172 0.0306 0.00000
173 0.0264 0.00000
174 -0.0571 0.00000
175 -0.0991 0.00000
176 0.2509 0.00000
177 0.0113 0.00000
178 0.0820 0.00000
179 -0.0890 0.00000
180 -0.0750 0.00000
181 -0.0846 0.00000
182 0.0021 0.00000
183 0.0321 0.00000
184 -0.2269 0.00000
185 -0.0601 0.00000
186 -0.1606 0.00000
187 -0.1808 0.00000
188 0.2964 0.00000
189 0.0661 0.00000
190 0.1554 0.00000
191 -0.0453 0.00000
192 0.0069 0.00000
193 0.0279 0.00000
194 0.1203 0.00000
195 -0.0471 0.00000
196 0.1260 0.00000
197 0.0988 0.00000
198 0.0802 0.00000
199 0.1022 0.00000
200 0.2068 0.00000
201 -0.2801 0.00000
202 -0.6189 0.00000
203 -0.1669 0.00000
204 0.1655 0.00000
205 -0.1645 0.00000
206 0.2510 0.00000
207 0.5783 0.00000
208 0.2980 0.00000
209 0.1468 0.00000
210 0.3102 0.00000
211 -0.3121 0.00000
212 -0.0236 0.00000
213 0.0360 0.00000
214 -0.1859 0.00000
215 -0.2650 0.00000
216 0.1495 0.00000
217 0.1537 0.00000
218 0.0740 0.00000
219 0.0936 0.00000
220 0.0101 0.00000
221 0.6737 0.00000
222 0.0661 0.00000
223 0.0827 0.00000
224 -0.2654 0.00000
225 -0.3647 0.00000
226 0.2567 0.00000
227 0.0235 0.00000
228 0.0025 0.00000
229 0.2351 0.00000
230 0.1052 0.00000
231 -0.1019 0.00000
232 -0.0484 0.00000
233 -0.0140 0.00000
234 -0.0155 0.00000
235 -0.1603 0.00000
236 -0.0843 0.00000
237 -0.0422 0.00000
238 -0.1265 0.00000
239 -0.0323 0.00000
240 -0.1035 0.00000
241 -0.0896 0.00000
242 0.0999 0.00000
243 0.0313 0.00000
244 0.0545 0.00000
245 0.2320 0.00000
246 -0.0218 0.00000
247 0.2086 0.00000
248 0.8001 0.00000
249 0.0248 0.00000
250 -0.1853 0.00000
251 0.0230 0.00000
252 -0.4696 0.00000
253 -0.0553 0.00000
254 -0.0302 0.00000
255 0.0553 0.00000
256 0.1598 0.00000
257 -0.0565 0.00000
258 0.1374 0.00000
259 -0.0078 0.00000
260 -0.0289 0.00000
261 0.0001 0.00000
262 -0.0211 0.00000
263 -0.0024 0.00000
264 0.0169 0.00000
265 0.0521 0.00000
266 -0.0456 0.00000
267 -0.1023 0.00000
268 -0.0543 0.00000
269 -0.0591 0.00000
270 0.0362 0.00000
271 -0.0324 0.00000
272 0.0610 0.00000
273 -0.0616 0.00000
274 0.1270 0.00000
275 0.1813 0.00000
276 0.1046 0.00000
277 -0.0421 0.00000
278 0.0153 0.00000
279 0.1148 0.00000
280 0.0053 0.00000
281 -0.3498 0.00000
282 0.0929 0.00000
283 0.0058 0.00000
284 -0.0871 0.00000
285 -0.0555 0.00000
286 0.0028 0.00000
287 0.0355 0.00000
288 -0.0566 0.00000
289 -0.1182 0.00000
290 -0.0752 0.00000
291 0.0571 0.00000
292 0.0550 0.00000
293 -0.1170 0.00000
294 -0.0360 0.00000
295 -0.0348 0.00000
296 -0.0918 0.00000
297 0.0126 0.00000
298 0.0269 0.00000
299 0.0115 0.00000
300 -0.0429 0.00000
301 0.0396 0.00000
302 0.0869 0.00000
303 0.0122 0.00000
304 -0.0926 0.00000
305 0.1115 0.00000
306 0.0398 0.00000
307 0.0044 0.00000
308 -0.1260 0.00000
309 -0.0742 0.00000
310 0.0756 0.00000
311 -0.0539 0.00000
312 0.0369 0.00000
313 -0.0753 0.00000
314 -0.0423 0.00000
315 -0.0006 0.00000
316 -0.0103 0.00000
317 0.0349 0.00000
318 0.0564 0.00000
319 0.1484 0.00000
320 -0.0124 0.00000
321 0.0714 0.00000
322 0.0394 0.00000
323 -0.1289 0.00000
324 -0.0880 0.00000
325 0.0017 0.00000
326 0.1984 0.00000
327 0.0035 0.00000
328 -0.0758 0.00000
329 -0.0201 0.00000
330 0.0242 0.00000
331 0.0157 0.00000
332 -0.0418 0.00000
333 -0.0201 0.00000
334 -0.0311 0.00000
335 0.0681 0.00000
336 -0.0321 0.00000
337 -0.1050 0.00000
338 -0.0692 0.00000
339 -0.0081 0.00000
340 0.1236 0.00000
341 0.0144 0.00000
342 -0.0510 0.00000
343 -0.0432 0.00000
344 -0.0696 0.00000
345 -0.2201 0.00000
346 -0.0273 0.00000
347 0.0471 0.00000
348 0.0844 0.00000
349 -0.0567 0.00000
350 0.0713 0.00000
351 -0.0219 0.00000
352 -0.0345 0.00000
353 -0.0802 0.00000
354 0.0777 0.00000
355 0.0629 0.00000
356 -0.0220 0.00000
357 0.0289 0.00000
358 -0.1131 0.00000
359 0.1358 0.00000
360 0.1129 0.00000
361 0.0635 0.00000
362 0.0375 0.00000
363 0.0472 0.00000
364 0.0012 0.00000
365 0.0962 0.00000
366 0.0210 0.00000
367 -0.0519 0.00000
368 0.1860 0.00000
369 -0.0894 0.00000
370 -0.0301 0.00000
371 -0.0480 0.00000
372 0.1878 0.00000
373 0.0646 0.00000
374 0.0671 0.00000
375 -0.0082 0.00000
376 -0.1123 0.00000
377 0.0077 0.00000
378 -0.0228 0.00000
379 -0.0089 0.00000
380 -0.0255 0.00000
381 0.0563 0.00000
382 -0.0183 0.00000
383 0.0295 0.00000
384 0.0588 0.00000
385 -0.0208 0.00000
386 0.0639 0.00000
387 0.0340 0.00000
388 0.0486 0.00000
389 -0.1564 0.00000
390 -0.2485 0.00000
391 0.0196 0.00000
392 0.0354 0.00000
393 -0.0144 0.00000
394 0.0536 0.00000
395 -0.0179 0.00000
396 0.0569 0.00000
397 -0.0215 0.00000
398 0.2682 0.00000
399 0.1580 0.00000
400 0.0887 0.00000
401 0.1326 0.00000
402 0.1163 0.00000
403 -0.0602 0.00000
404 0.0722 0.00000
405 -0.0166 0.00000
406 0.1826 0.00000
407 0.0549 0.00000
408 0.1735 0.00000
409 -0.0421 0.00000
410 0.2167 0.00000
411 0.0083 0.00000
412 -0.0386 0.00000
413 0.0271 0.00000
414 0.0725 0.00000
415 -0.1364 0.00000
416 0.1134 0.00000
417 -0.1154 0.00000
418 -0.0546 0.00000
419 -0.0332 0.00000
420 0.1135 0.00000
421 -0.0351 0.00000
422 0.0285 0.00000
423 0.0165 0.00000
424 0.1579 0.00000
425 -0.1224 0.00000
426 -0.0141 0.00000
427 0.0709 0.00000
428 -0.0133 0.00000
429 0.0925 0.00000
430 0.0422 0.00000
431 -0.0880 0.00000
432 0.1433 0.00000
433 0.0216 0.00000
434 -0.0753 0.00000
435 0.0330 0.00000
436 0.0958 0.00000
437 0.0488 0.00000
438 -0.2397 0.00000
439 0.0116 0.00000
440 0.0018 0.00000
441 -0.0565 0.00000
442 -0.0804 0.00000
443 0.0728 0.00000
444 0.0545 0.00000
445 0.0511 0.00000
446 0.0478 0.00000
447 0.1035 0.00000
448 -0.1221 0.00000
449 0.0875 0.00000
450 -0.1446 0.00000
451 -0.0236 0.00000
452 0.2285 0.00000
453 -0.0134 0.00000
454 -0.0626 0.00000
455 -0.1833 0.00000
456 0.0747 0.00000
457 0.0228 0.00000
458 -0.0804 0.00000
459 0.0331 0.00000
460 0.0995 0.00000
461 -0.0125 0.00000
462 0.0080 0.00000
463 -0.0404 0.00000
464 0.1611 0.00000
465 -0.0090 0.00000
466 -0.0061 0.00000
467 -0.0248 0.00000
468 -0.1445 0.00000
469 0.0002 0.00000
470 -0.1433 0.00000
471 0.2052 0.00000
472 -0.0926 0.00000
473 -0.2167 0.00000
474 0.2083 0.00000
475 -0.0483 0.00000
476 -0.0042 0.00000
477 -0.1502 0.00000
478 -0.0292 0.00000
479 0.1485 0.00000
480 -0.1087 0.00000
481 -0.1507 0.00000
482 -0.0240 0.00000
483 0.0250 0.00000
484 0.0302 0.00000
485 0.0699 0.00000
486 0.0551 0.00000
487 -0.0434 0.00000
488 0.0780 0.00000
489 -0.0331 0.00000
490 -0.2367 0.00000
491 0.0523 0.00000
492 0.0106 0.00000
493 -0.0149 0.00000
494 0.0383 0.00000
495 -0.0047 0.00000
496 0.0967 0.00000
497 0.1339 0.00000
498 0.0141 0.00000
499 0.0216 0.00000
500 -0.0468 0.00000
501 -0.1115 0.00000
502 -0.0502 0.00000
503 0.0467 0.00000
504 -0.0793 0.00000
505 -0.0061 0.00000
506 0.0144 0.00000
507 -0.0546 0.00000
508 0.0350 0.00000
509 0.0344 0.00000
510 0.0391 0.00000
511 0.1268 0.00000
512 -0.1380 0.00000
513 0.0071 0.00000
514 -0.1609 0.00000
515 -0.0591 0.00000
516 0.0386 0.00000
517 -0.0584 0.00000
518 -0.0977 0.00000
519 0.0482 0.00000
520 0.0291 0.00000
521 0.0107 0.00000
522 0.0577 0.00000
523 -0.0144 0.00000
524 -0.0503 0.00000
525 0.1092 0.00000
526 0.0075 0.00000
527 -0.0371 0.00000
528 0.0361 0.00000
529 0.0377 0.00000
530 -0.0101 0.00000
531 0.0796 0.00000
532 -0.1080 0.00000
533 -0.0023 0.00000
534 0.4754 0.00000
535 -0.0251 0.00000
536 0.0128 0.00000
537 0.1723 0.00000
538 -0.0955 0.00000
539 0.2288 0.00000
540 0.0410 0.00000
541 0.0080 0.00000
542 0.1899 0.00000
543 -0.0222 0.00000
544 -0.0010 0.00000
545 0.0654 0.00000
546 0.1101 0.00000
547 0.1310 0.00000
548 -0.0518 0.00000
549 -0.0185 0.00000
550 -0.0178 0.00000
551 -0.0011 0.00000
552 -0.0005 0.00000
553 0.0348 0.00000
554 0.0204 0.00000
555 0.0439 0.00000
556 -0.0170 0.00000
557 0.1557 0.00000
558 -0.0124 0.00000
559 0.0163 0.00000
560 0.0308 0.00000
561 0.0083 0.00000
562 0.1573 0.00000
563 0.0453 0.00000
564 0.1380 0.00000
565 0.0538 0.00000
566 0.0469 0.00000
567 -0.1034 0.00000
568 -0.0645 0.00000
569 0.0165 0.00000
570 0.0426 0.00000
571 -0.0101 0.00000
572 -0.0318 0.00000
573 0.0153 0.00000
574 0.0382 0.00000
575 -0.1002 0.00000
576 0.0819 0.00000
577 -0.0528 0.00000
578 -0.2137 0.00000
579 -0.0001 0.00000
580 -0.0558 0.00000
581 -0.0393 0.00000
582 -0.0939 0.00000
583 0.0495 0.00000
584 0.1969 0.00000
585 -0.0675 0.00000
586 -0.0687 0.00000
587 0.0342 0.00000
588 -0.1289 0.00000
589 0.0244 0.00000
590 -0.1417 0.00000
591 -0.0499 0.00000
592 -0.0521 0.00000
593 -0.0284 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1005 0.00000
597 -0.1195 0.00000
598 0.0624 0.00000
599 0.0565 0.00000
600 -0.0218 0.00000
601 -0.0015 0.00000
602 -0.0385 0.00000
603 -0.0451 0.00000
604 -0.0230 0.00000
605 -0.0605 0.00000
606 0.0114 0.00000
607 0.0058 0.00000
608 0.0185 0.00000
609 0.0121 0.00000
610 0.0352 0.00000
611 0.0347 0.00000
612 -0.0625 0.00000
613 0.2042 0.00000
614 -0.0426 0.00000
615 -0.0062 0.00000
616 -0.0225 0.00000
617 -0.0266 0.00000
618 0.0784 0.00000
619 0.0358 0.00000
620 -0.0450 0.00000
621 0.0731 0.00000
622 -0.1142 0.00000
623 -0.0091 0.00000
624 0.0171 0.00000
625 0.0161 0.00000
626 -0.0971 0.00000
627 0.0037 0.00000
628 -0.0393 0.00000
629 -0.0185 0.00000
630 0.0357 0.00000
631 -0.0804 0.00000
632 0.0126 0.00000
633 0.0989 0.00000
634 -0.0104 0.00000
635 0.0231 0.00000
636 -0.0176 0.00000
637 0.0731 0.00000
638 -0.0936 0.00000
639 -0.0004 0.00000
640 -0.0475 0.00000
641 0.0001 0.00000
642 -0.0506 0.00000
643 0.0086 0.00000
644 -0.0372 0.00000
645 0.0025 0.00000
646 -0.0190 0.00000
647 0.0091 0.00000
648 0.0568 0.00000
649 -0.0772 0.00000
650 -0.0024 0.00000
651 -0.0450 0.00000
652 0.0409 0.00000
653 -0.0060 0.00000
654 -0.0107 0.00000
655 -0.0593 0.00000
656 -0.0394 0.00000
657 -0.0528 0.00000
658 -0.0294 0.00000
659 0.0042 0.00000
660 -0.0254 0.00000
661 -0.0092 0.00000
662 -0.0264 0.00000
663 0.0004 0.00000
664 -0.0450 0.00000
665 -0.0151 0.00000
666 0.0250 0.00000
667 -0.0542 0.00000
668 -0.0099 0.00000
669 0.0108 0.00000
670 0.0125 0.00000
671 0.0880 0.00000
672 -0.0357 0.00000
673 0.0163 0.00000
674 -0.0201 0.00000
675 -0.0326 0.00000
676 0.0391 0.00000
677 -0.0501 0.00000
678 -0.0079 0.00000
679 -0.1086 0.00000
680 -0.1731 0.00000
681 -0.0309 0.00000
682 -0.0087 0.00000
683 -0.1092 0.00000
684 -0.0398 0.00000
685 -0.0351 0.00000
686 -0.0103 0.00000
687 -0.1137 0.00000
688 -0.0382 0.00000
689 -0.0678 0.00000
690 0.0386 0.00000
691 -0.0484 0.00000
692 -0.0222 0.00000
693 0.0438 0.00000
694 -0.0006 0.00000
695 -0.0605 0.00000
696 -0.0013 0.00000
697 0.0256 0.00000
698 0.0191 0.00000
699 -0.0436 0.00000
700 -0.0829 0.00000
701 0.0076 0.00000
702 0.0151 0.00000
703 -0.0387 0.00000
704 -0.0484 0.00000
705 -0.0511 0.00000
706 -0.1000 0.00000
707 -0.0905 0.00000
708 -0.0095 0.00000
709 0.0209 0.00000
710 -0.0375 0.00000
711 -0.0907 0.00000
712 0.0575 0.00000
713 -0.0249 0.00000
714 -0.1316 0.00000
715 -0.0516 0.00000
716 0.0244 0.00000
717 -0.0776 0.00000
718 -0.0365 0.00000
719 -0.0069 0.00000
720 0.0366 0.00000
721 0.0152 0.00000
722 0.0175 0.00000
723 -0.0008 0.00000
724 0.0336 0.00000
725 -0.0736 0.00000
726 0.0641 0.00000
727 -0.1152 0.00000
728 -0.0469 0.00000
729 -0.0126 0.00000
730 -0.0338 0.00000
731 -0.0881 0.00000
732 0.0571 0.00000
733 -0.0088 0.00000
734 0.0894 0.00000
735 -0.0431 0.00000
736 0.0370 0.00000
737 0.0528 0.00000
738 0.0363 0.00000
739 0.0117 0.00000
740 0.0477 0.00000
741 -0.0267 0.00000
742 0.0048 0.00000
743 0.0791 0.00000
744 -0.0091 0.00000
745 -0.0254 0.00000
746 -0.0374 0.00000
747 -0.0441 0.00000
748 0.0126 0.00000
749 -0.0113 0.00000
750 0.0250 0.00000
751 -0.0896 0.00000
752 0.0172 0.00000
753 -0.0277 0.00000
754 -0.0102 0.00000
755 -0.0623 0.00000
756 -0.1369 0.00000
757 -0.0115 0.00000
758 0.0413 0.00000
759 0.0234 0.00000
760 -0.0091 0.00000
761 -0.0048 0.00000
762 0.0302 0.00000
763 0.0879 0.00000
764 0.0060 0.00000
765 -0.0128 0.00000
766 -0.0789 0.00000
767 -0.0242 0.00000
768 -0.0183 0.00000
769 -0.0482 0.00000
770 -0.0054 0.00000
771 0.0021 0.00000
772 0.0158 0.00000
773 -0.0313 0.00000
774 0.0091 0.00000
775 0.0573 0.00000
776 0.0330 0.00000
777 0.0340 0.00000
778 0.0400 0.00000
779 -0.0032 0.00000
780 0.0045 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.1156 0.00000
5 0.8160 0.00000
6 0.2429 0.00000
7 0.0474 0.00000
8 0.0455 0.00000
9 0.5509 0.00000
10 0.2621 0.00000
11 -0.1931 0.00000
12 0.1210 0.00000
13 -0.0395 0.00000
14 0.0250 0.00000
15 -0.0629 0.00000
16 -0.1649 0.00000
17 0.0997 0.00000
18 0.0034 0.00000
19 0.0047 0.00000
20 -0.0153 0.00000
21 0.0582 0.00000
22 -0.0182 0.00000
23 0.0785 0.00000
24 -0.3139 0.00000
25 0.4097 0.00000
26 0.1845 0.00000
27 0.0315 0.00000
28 0.0575 0.00000
29 -0.0663 0.00000
30 -0.0684 0.00000
31 -0.4268 0.00000
32 -0.0536 0.00000
33 0.1064 0.00000
34 0.1531 0.00000
35 0.0809 0.00000
36 0.0728 0.00000
37 0.0051 0.00000
38 0.1717 0.00000
39 0.0195 0.00000
40 0.0341 0.00000
41 0.4506 0.00000
42 -0.2561 0.00000
43 0.2685 0.00000
44 -0.0629 0.00000
45 -0.1037 0.00000
46 -0.4023 0.00000
47 -0.2931 0.00000
48 0.0372 0.00000
49 0.1485 0.00000
50 -0.2311 0.00000
51 0.0748 0.00000
52 -0.3407 0.00000
53 -0.0617 0.00000
54 0.2022 0.00000
55 0.1042 0.00000
56 -0.1068 0.00000
57 0.0338 0.00000
58 0.5336 0.00000
59 0.6335 0.00000
60 -0.9133 0.00000
61 0.2355 0.00000
62 -0.0698 0.00000
63 0.3242 0.00000
64 0.0580 0.00000
65 0.5479 0.00000
66 -0.1072 0.00000
67 -1.0709 0.00000
68 0.7784 0.00000
69 0.1295 0.00000
70 0.2088 0.00000
71 0.3487 0.00000
72 0.1038 0.00000
73 0.1427 0.00000
74 0.1222 0.00000
75 -0.0669 0.00000
76 -0.0246 0.00000
77 -0.0170 0.00000
78 -0.3010 0.00000
79 0.2726 0.00000
80 -0.1146 0.00000
81 -0.1604 0.00000
82 0.0873 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0584 0.00000
90 0.0310 0.00000
91 -0.0813 0.00000
92 -0.0591 0.00000
93 -0.1091 0.00000
94 -0.2242 0.00000
95 -0.3303 0.00000
96 -0.2915 0.00000
97 0.0177 0.00000
98 0.1187 0.00000
99 0.1667 0.00000
100 -0.0981 0.00000
101 0.0925 0.00000
102 0.3334 0.00000
103 0.1375 0.00000
104 -0.0790 0.00000
105 0.0604 0.00000
106 -0.1346 0.00000
107 -0.2784 0.00000
108 0.1077 0.00000
109 -0.2758 0.00000
110 -0.0447 0.00000
111 -0.0571 0.00000
112 0.0606 0.00000
113 -0.0158 0.00000
114 0.0089 0.00000
115 0.1553 0.00000
116 -0.1700 0.00000
117 0.0296 0.00000
118 -0.1178 0.00000
119 -0.0096 0.00000
120 0.0906 0.00000
121 0.2369 0.00000
122 0.0632 0.00000
123 0.0929 0.00000
124 -0.1465 0.00000
125 -0.0427 0.00000
126 0.1549 0.00000
127 -0.1219 0.00000
128 0.0419 0.00000
129 -0.2222 0.00000
130 0.0620 0.00000
131 0.0928 0.00000
132 -0.0515 0.00000
133 -0.0994 0.00000
134 0.0630 0.00000
135 -0.0386 0.00000
136 0.0625 0.00000
137 -0.5172 0.00000
138 0.2653 0.00000
139 0.0550 0.00000
140 -0.0609 0.00000
141 0.0140 0.00000
142 -0.1114 0.00000
143 -0.0619 0.00000
144 -0.1264 0.00000
145 -0.1537 0.00000
146 -0.1099 0.00000
147 -0.0079 0.00000
148 -0.0626 0.00000
149 0.7012 0.00000
150 -0.0096 0.00000
151 -0.3019 0.00000
152 0.0468 0.00000
153 0.0440 0.00000
154 -0.2090 0.00000
155 0.0732 0.00000
156 -0.0278 0.00000
157 0.0890 0.00000
158 0.0983 0.00000
159 -0.1591 0.00000
160 -0.0932 0.00000
161 0.1093 0.00000
162 -0.2369 0.00000
163 0.3602 0.00000
164 0.2028 0.00000
165 -0.0054 0.00000
166 -0.0517 0.00000
167 -0.0034 0.00000
168 0.0377 0.00000
169 0.0812 0.00000
170 0.0047 0.00000
171 -0.0874 0.00000
172 0.0835 0.00000
173 -0.1090 0.00000
174 0.1259 0.00000
175 0.0576 0.00000
176 0.0312 0.00000
177 0.0338 0.00000
178 -0.1740 0.00000
179 0.0374 0.00000
180 -0.1802 0.00000
181 -0.1040 0.00000
182 0.0595 0.00000
183 0.0130 0.00000
184 -0.0276 0.00000
185 -0.0265 0.00000
186 -0.1946 0.00000
187 0.0335 0.00000
188 0.0076 0.00000
189 0.1292 0.00000
190 0.0199 0.00000
191 0.1260 0.00000
192 -0.1931 0.00000
193 -0.0007 0.00000
194 0.1063 0.00000
195 0.1831 0.00000
196 0.2575 0.00000
197 -0.0602 0.00000
198 0.0500 0.00000
199 0.0217 0.00000
200 0.0606 0.00000
201 -0.2607 0.00000
202 -0.1457 0.00000
203 -0.3896 0.00000
204 -0.0239 0.00000
205 -0.0024 0.00000
206 0.4232 0.00000
207 0.5601 0.00000
208 -0.0227 0.00000
209 0.2154 0.00000
210 0.2981 0.00000
211 -0.1944 0.00000
212 0.1259 0.00000
213 0.0056 0.00000
214 -0.4884 0.00000
215 -0.0400 0.00000
216 0.0059 0.00000
217 -0.0792 0.00000
218 0.2192 0.00000
219 0.1222 0.00000
220 0.0230 0.00000
221 0.6594 0.00000
222 0.1473 0.00000
223 0.0874 0.00000
224 -0.2864 0.00000
225 -0.1215 0.00000
226 0.1015 0.00000
227 -0.0081 0.00000
228 -0.0043 0.00000
229 0.2303 0.00000
230 0.1167 0.00000
231 -0.1018 0.00000
232 -0.0480 0.00000
233 -0.0144 0.00000
234 0.0005 0.00000
235 -0.1661 0.00000
236 -0.0576 0.00000
237 -0.0278 0.00000
238 -0.2137 0.00000
239 -0.0103 0.00000
240 -0.0520 0.00000
241 -0.0595 0.00000
242 0.0697 0.00000
243 -0.0018 0.00000
244 0.0630 0.00000
245 0.1329 0.00000
246 0.1709 0.00000
247 -0.0081 0.00000
248 0.5462 0.00000
249 0.1526 0.00000
250 0.1387 0.00000
251 -0.1059 0.00000
252 -0.2698 0.00000
253 -0.0309 0.00000
254 -0.0313 0.00000
255 -0.0035 0.00000
256 0.0730 0.00000
257 -0.0777 0.00000
258 0.1036 0.00000
259 -0.0059 0.00000
260 -0.0132 0.00000
261 -0.0701 0.00000
262 0.0281 0.00000
263 0.0444 0.00000
264 0.0232 0.00000
265 -0.0722 0.00000
266 0.0042 0.00000
267 -0.0796 0.00000
268 0.0556 0.00000
269 0.0354 0.00000
270 -0.0324 0.00000
271 -0.0547 0.00000
272 0.0049 0.00000
273 0.0763 0.00000
274 0.1776 0.00000
275 -0.0120 0.00000
276 0.0358 0.00000
277 0.0586 0.00000
278 -0.0261 0.00000
279 -0.0640 0.00000
280 -0.0881 0.00000
281 0.0109 0.00000
282 -0.0403 0.00000
283 0.0109 0.00000
284 -0.0332 0.00000
285 -0.1147 0.00000
286 -0.1109 0.00000
287 -0.0708 0.00000
288 -0.0224 0.00000
289 0.0960 0.00000
290 0.0488 0.00000
291 -0.0603 0.00000
292 -0.1294 0.00000
293 0.0384 0.00000
294 -0.1853 0.00000
295 -0.0109 0.00000
296 -0.0305 0.00000
297 0.0481 0.00000
298 0.0297 0.00000
299 -0.0134 0.00000
300 -0.0223 0.00000
301 -0.0740 0.00000
302 -0.0131 0.00000
303 0.0877 0.00000
304 0.1151 0.00000
305 -0.0413 0.00000
306 0.0369 0.00000
307 0.1983 0.00000
308 0.0114 0.00000
309 0.0318 0.00000
310 -0.0414 0.00000
311 -0.0988 0.00000
312 -0.0573 0.00000
313 -0.0095 0.00000
314 -0.0912 0.00000
315 0.0454 0.00000
316 0.0133 0.00000
317 0.1013 0.00000
318 -0.0880 0.00000
319 0.1207 0.00000
320 0.0235 0.00000
321 0.0068 0.00000
322 0.1326 0.00000
323 -0.0617 0.00000
324 -0.1265 0.00000
325 0.0088 0.00000
326 -0.0512 0.00000
327 0.1669 0.00000
328 -0.1751 0.00000
329 -0.0211 0.00000
330 -0.0404 0.00000
331 0.0226 0.00000
332 0.0599 0.00000
333 -0.0636 0.00000
334 -0.0280 0.00000
335 -0.1040 0.00000
336 0.0688 0.00000
337 -0.0824 0.00000
338 0.0305 0.00000
339 -0.1238 0.00000
340 0.0724 0.00000
341 -0.0234 0.00000
342 -0.0043 0.00000
343 -0.0312 0.00000
344 0.0850 0.00000
345 -0.0181 0.00000
346 -0.0796 0.00000
347 -0.1256 0.00000
348 -0.1234 0.00000
349 -0.0683 0.00000
350 -0.0169 0.00000
351 0.2889 0.00000
352 -0.0049 0.00000
353 0.1212 0.00000
354 -0.0941 0.00000
355 -0.0629 0.00000
356 -0.0397 0.00000
357 0.1340 0.00000
358 -0.0050 0.00000
359 -0.0693 0.00000
360 0.0104 0.00000
361 0.4662 0.00000
362 -0.0340 0.00000
363 -0.0284 0.00000
364 0.0829 0.00000
365 0.0651 0.00000
366 0.0226 0.00000
367 0.0583 0.00000
368 -0.0473 0.00000
369 -0.1456 0.00000
370 0.0923 0.00000
371 0.3253 0.00000
372 -0.1034 0.00000
373 -0.0307 0.00000
374 -0.0468 0.00000
375 -0.0130 0.00000
376 0.0377 0.00000
377 0.0290 0.00000
378 -0.1424 0.00000
379 -0.0041 0.00000
380 -0.2056 0.00000
381 0.0320 0.00000
382 -0.0255 0.00000
383 -0.0341 0.00000
384 -0.0419 0.00000
385 0.0812 0.00000
386 0.1340 0.00000
387 -0.0240 0.00000
388 -0.0880 0.00000
389 -0.0296 0.00000
390 0.1826 0.00000
391 0.0737 0.00000
392 0.0089 0.00000
393 0.0123 0.00000
394 0.2247 0.00000
395 0.1363 0.00000
396 0.0387 0.00000
397 -0.0346 0.00000
398 0.1202 0.00000
399 0.0406 0.00000
400 -0.1317 0.00000
401 0.0697 0.00000
402 0.0893 0.00000
403 0.0700 0.00000
404 -0.0068 0.00000
405 -0.0386 0.00000
406 0.1001 0.00000
407 0.1399 0.00000
408 -0.0151 0.00000
409 0.0459 0.00000
410 0.1803 0.00000
411 0.1944 0.00000
412 0.0425 0.00000
413 0.0393 0.00000
414 -0.0023 0.00000
415 0.0356 0.00000
416 0.0706 0.00000
417 -0.0088 0.00000
418 -0.1685 0.00000
419 0.0163 0.00000
420 -0.0295 0.00000
421 -0.2455 0.00000
422 0.1520 0.00000
423 0.0280 0.00000
424 0.0213 0.00000
425 0.0554 0.00000
426 0.0408 0.00000
427 0.0966 0.00000
428 0.0649 0.00000
429 0.0002 0.00000
430 -0.0010 0.00000
431 0.1100 0.00000
432 0.0024 0.00000
433 -0.0535 0.00000
434 0.0811 0.00000
435 -0.0253 0.00000
436 -0.1340 0.00000
437 -0.0370 0.00000
438 -0.0178 0.00000
439 0.0514 0.00000
440 -0.0531 0.00000
441 -0.0805 0.00000
442 -0.0186 0.00000
443 0.0457 0.00000
444 0.0818 0.00000
445 0.0756 0.00000
446 0.0258 0.00000
447 0.1130 0.00000
448 -0.0047 0.00000
449 -0.2243 0.00000
450 0.0575 0.00000
451 0.0405 0.00000
452 -0.1072 0.00000
453 -0.0874 0.00000
454 -0.1398 0.00000
455 -0.0950 0.00000
456 0.0295 0.00000
457 0.1007 0.00000
458 0.1131 0.00000
459 0.0900 0.00000
460 0.0530 0.00000
461 0.0643 0.00000
462 -0.1016 0.00000
463 0.1094 0.00000
464 0.2063 0.00000
465 -0.1433 0.00000
466 0.0203 0.00000
467 -0.0659 0.00000
468 -0.0057 0.00000
469 -0.0091 0.00000
470 -0.0126 0.00000
471 0.1312 0.00000
472 -0.0900 0.00000
473 0.0609 0.00000
474 0.0198 0.00000
475 -0.1886 0.00000
476 -0.0412 0.00000
477 0.0191 0.00000
478 -0.1217 0.00000
479 -0.0523 0.00000
480 -0.0474 0.00000
481 -0.1092 0.00000
482 0.1393 0.00000
483 -0.0458 0.00000
484 -0.1100 0.00000
485 0.0227 0.00000
486 0.0851 0.00000
487 0.0459 0.00000
488 -0.1218 0.00000
489 -0.0562 0.00000
490 -0.1719 0.00000
491 0.0615 0.00000
492 -0.0764 0.00000
493 0.0159 0.00000
494 -0.0292 0.00000
495 0.2843 0.00000
496 0.0781 0.00000
497 -0.1396 0.00000
498 0.0347 0.00000
499 0.0612 0.00000
500 -0.0174 0.00000
501 0.0284 0.00000
502 0.0171 0.00000
503 -0.0817 0.00000
504 -0.0220 0.00000
505 -0.0113 0.00000
506 0.0147 0.00000
507 -0.0046 0.00000
508 0.0056 0.00000
509 0.0273 0.00000
510 0.0502 0.00000
511 -0.0179 0.00000
512 0.0631 0.00000
513 -0.0967 0.00000
514 0.0682 0.00000
515 -0.0096 0.00000
516 -0.1346 0.00000
517 -0.0331 0.00000
518 -0.1312 0.00000
519 -0.2753 0.00000
520 -0.0288 0.00000
521 0.1556 0.00000
522 -0.1533 0.00000
523 0.0312 0.00000
524 0.0194 0.00000
525 -0.0431 0.00000
526 0.0413 0.00000
527 0.0414 0.00000
528 0.1173 0.00000
529 0.0352 0.00000
530 0.1123 0.00000
531 -0.0273 0.00000
532 -0.0308 0.00000
533 0.0458 0.00000
534 0.0615 0.00000
535 0.2221 0.00000
536 0.3231 0.00000
537 -0.0471 0.00000
538 -0.0154 0.00000
539 0.1870 0.00000
540 0.1721 0.00000
541 0.1102 0.00000
542 0.0428 0.00000
543 0.2142 0.00000
544 0.1325 0.00000
545 -0.0866 0.00000
546 -0.0826 0.00000
547 0.1667 0.00000
548 -0.0570 0.00000
549 -0.0562 0.00000
550 -0.0017 0.00000
551 -0.0734 0.00000
552 0.1587 0.00000
553 -0.0780 0.00000
554 0.1543 0.00000
555 0.0103 0.00000
556 0.0509 0.00000
557 0.0022 0.00000
558 0.0168 0.00000
559 -0.0083 0.00000
560 0.0204 0.00000
561 0.1787 0.00000
562 -0.0034 0.00000
563 0.0371 0.00000
564 -0.0067 0.00000
565 0.2037 0.00000
566 0.0417 0.00000
567 0.0362 0.00000
568 -0.0602 0.00000
569 -0.0123 0.00000
570 0.0112 0.00000
571 -0.0848 0.00000
572 0.0170 0.00000
573 -0.1454 0.00000
574 -0.0861 0.00000
575 0.0415 0.00000
576 -0.0507 0.00000
577 0.0334 0.00000
578 0.0238 0.00000
579 -0.1875 0.00000
580 -0.0454 0.00000
581 -0.1450 0.00000
582 0.1696 0.00000
583 -0.0974 0.00000
584 0.2203 0.00000
585 -0.1002 0.00000
586 -0.0463 0.00000
587 0.0685 0.00000
588 -0.1194 0.00000
589 0.0259 0.00000
590 -0.1255 0.00000
591 -0.0860 0.00000
592 -0.0419 0.00000
593 -0.0302 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1005 0.00000
597 -0.1192 0.00000
598 0.0750 0.00000
599 0.0305 0.00000
600 -0.0070 0.00000
601 -0.0965 0.00000
602 -0.0389 0.00000
603 0.1934 0.00000
604 -0.1026 0.00000
605 -0.0644 0.00000
606 0.0271 0.00000
607 0.0270 0.00000
608 0.0363 0.00000
609 -0.0167 0.00000
610 0.0004 0.00000
611 0.0242 0.00000
612 -0.0831 0.00000
613 -0.0323 0.00000
614 0.0647 0.00000
615 -0.0158 0.00000
616 0.0715 0.00000
617 0.0165 0.00000
618 -0.0813 0.00000
619 0.0368 0.00000
620 -0.0014 0.00000
621 -0.0520 0.00000
622 0.0314 0.00000
623 -0.0078 0.00000
624 0.0603 0.00000
625 -0.0256 0.00000
626 -0.0204 0.00000
627 0.0435 0.00000
628 0.0154 0.00000
629 0.0124 0.00000
630 -0.0341 0.00000
631 0.0088 0.00000
632 0.0477 0.00000
633 0.0080 0.00000
634 -0.0171 0.00000
635 -0.0493 0.00000
636 -0.0170 0.00000
637 -0.0952 0.00000
638 0.0566 0.00000
639 0.0022 0.00000
640 -0.0260 0.00000
641 0.1585 0.00000
642 -0.1007 0.00000
643 -0.0352 0.00000
644 -0.0581 0.00000
645 -0.0181 0.00000
646 -0.0347 0.00000
647 -0.0029 0.00000
648 -0.0028 0.00000
649 -0.0069 0.00000
650 -0.0496 0.00000
651 -0.0438 0.00000
652 0.0057 0.00000
653 -0.0610 0.00000
654 -0.0070 0.00000
655 0.1203 0.00000
656 0.0198 0.00000
657 -0.0438 0.00000
658 0.0073 0.00000
659 -0.0360 0.00000
660 0.0035 0.00000
661 0.0181 0.00000
662 -0.0254 0.00000
663 -0.0690 0.00000
664 -0.0144 0.00000
665 0.0372 0.00000
666 0.0412 0.00000
667 -0.0599 0.00000
668 -0.0659 0.00000
669 -0.0005 0.00000
670 -0.0506 0.00000
671 -0.0854 0.00000
672 -0.0235 0.00000
673 0.0102 0.00000
674 -0.0467 0.00000
675 -0.0769 0.00000
676 -0.0469 0.00000
677 -0.0620 0.00000
678 0.0202 0.00000
679 -0.1273 0.00000
680 -0.0164 0.00000
681 -0.0356 0.00000
682 -0.1556 0.00000
683 -0.0141 0.00000
684 -0.0291 0.00000
685 -0.0370 0.00000
686 -0.0895 0.00000
687 -0.0692 0.00000
688 0.0198 0.00000
689 0.0709 0.00000
690 -0.0585 0.00000
691 -0.0345 0.00000
692 -0.0395 0.00000
693 -0.0263 0.00000
694 -0.0079 0.00000
695 -0.0676 0.00000
696 -0.0182 0.00000
697 -0.0285 0.00000
698 -0.0583 0.00000
699 -0.0161 0.00000
700 -0.0649 0.00000
701 0.0032 0.00000
702 0.0055 0.00000
703 0.0375 0.00000
704 -0.0328 0.00000
705 -0.1232 0.00000
706 0.0374 0.00000
707 0.0283 0.00000
708 0.0500 0.00000
709 -0.0523 0.00000
710 0.0209 0.00000
711 0.0089 0.00000
712 0.0322 0.00000
713 -0.0086 0.00000
714 -0.0174 0.00000
715 -0.0230 0.00000
716 -0.0041 0.00000
717 -0.0498 0.00000
718 -0.0191 0.00000
719 -0.0782 0.00000
720 -0.0194 0.00000
721 -0.0488 0.00000
722 -0.0325 0.00000
723 -0.0252 0.00000
724 0.0672 0.00000
725 -0.0139 0.00000
726 -0.0114 0.00000
727 0.0235 0.00000
728 -0.0398 0.00000
729 0.0493 0.00000
730 0.0328 0.00000
731 -0.0684 0.00000
732 -0.1198 0.00000
733 -0.0118 0.00000
734 -0.0324 0.00000
735 0.0720 0.00000
736 -0.0275 0.00000
737 -0.0523 0.00000
738 0.0366 0.00000
739 -0.0549 0.00000
740 -0.0399 0.00000
741 -0.0196 0.00000
742 -0.0373 0.00000
743 0.0257 0.00000
744 0.0712 0.00000
745 0.0167 0.00000
746 0.0575 0.00000
747 0.0049 0.00000
748 -0.0116 0.00000
749 -0.0253 0.00000
750 0.0510 0.00000
751 -0.0498 0.00000
752 -0.0212 0.00000
753 -0.0445 0.00000
754 -0.0151 0.00000
755 0.0153 0.00000
756 0.0284 0.00000
757 0.0084 0.00000
758 -0.0536 0.00000
759 -0.0985 0.00000
760 0.0291 0.00000
761 -0.0168 0.00000
762 -0.0019 0.00000
763 0.0367 0.00000
764 -0.0341 0.00000
765 -0.0264 0.00000
766 0.0576 0.00000
767 -0.0366 0.00000
768 0.0057 0.00000
769 -0.0307 0.00000
770 0.0491 0.00000
771 -0.0123 0.00000
772 -0.0670 0.00000
773 -0.0196 0.00000
774 0.0322 0.00000
775 0.0125 0.00000
776 -0.0183 0.00000
777 0.0312 0.00000
778 -0.0188 0.00000
779 0.0357 0.00000
780 0.0048 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.0898 0.00000
5 0.8439 0.00000
6 0.2396 0.00000
7 0.0466 0.00000
8 0.0465 0.00000
9 0.5541 0.00000
10 0.2606 0.00000
11 -0.1941 0.00000
12 0.1215 0.00000
13 -0.0393 0.00000
14 0.0248 0.00000
15 -0.0620 0.00000
16 -0.1258 0.00000
17 0.0731 0.00000
18 -0.0108 0.00000
19 -0.0593 0.00000
20 -0.0117 0.00000
21 0.0582 0.00000
22 0.0764 0.00000
23 -0.0364 0.00000
24 0.0527 0.00000
25 0.0858 0.00000
26 0.1073 0.00000
27 0.0689 0.00000
28 0.1950 0.00000
29 -0.1993 0.00000
30 -0.0995 0.00000
31 -0.3131 0.00000
32 -0.0411 0.00000
33 0.1151 0.00000
34 0.1295 0.00000
35 0.0972 0.00000
36 0.0169 0.00000
37 0.0492 0.00000
38 0.1213 0.00000
39 0.0348 0.00000
40 0.0213 0.00000
41 0.4350 0.00000
42 -0.2215 0.00000
43 0.2644 0.00000
44 -0.0354 0.00000
45 -0.0930 0.00000
46 -0.2290 0.00000
47 -0.3674 0.00000
48 0.1111 0.00000
49 -0.2288 0.00000
50 -0.6549 0.00000
51 0.1060 0.00000
52 0.2892 0.00000
53 -0.0201 0.00000
54 -0.0053 0.00000
55 0.2200 0.00000
56 0.1023 0.00000
57 0.0168 0.00000
58 0.5251 0.00000
59 -0.8841 0.00000
60 0.6509 0.00000
61 0.2726 0.00000
62 0.0832 0.00000
63 0.4692 0.00000
64 -0.8671 0.00000
65 0.6151 0.00000
66 -0.0504 0.00000
67 0.8632 0.00000
68 -0.8562 0.00000
69 0.1069 0.00000
70 0.3481 0.00000
71 0.1924 0.00000
72 0.1034 0.00000
73 0.0826 0.00000
74 0.1434 0.00000
75 -0.0531 0.00000
76 -0.0307 0.00000
77 -0.0216 0.00000
78 0.2658 0.00000
79 -0.2824 0.00000
80 -0.1143 0.00000
81 -0.1595 0.00000
82 0.0877 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0594 0.00000
90 0.0305 0.00000
91 -0.0783 0.00000
92 -0.0547 0.00000
93 -0.1339 0.00000
94 -0.2352 0.00000
95 -0.3396 0.00000
96 -0.1789 0.00000
97 0.0073 0.00000
98 0.1038 0.00000
99 0.1455 0.00000
100 0.0376 0.00000
101 -0.0977 0.00000
102 0.3641 0.00000
103 0.1558 0.00000
104 -0.1035 0.00000
105 0.0455 0.00000
106 -0.1337 0.00000
107 -0.2159 0.00000
108 -0.0723 0.00000
109 0.0471 0.00000
110 -0.2279 0.00000
111 -0.0309 0.00000
112 0.0246 0.00000
113 0.0404 0.00000
114 -0.0211 0.00000
115 0.1031 0.00000
116 -0.1834 0.00000
117 0.0436 0.00000
118 -0.1040 0.00000
119 0.1048 0.00000
120 -0.0173 0.00000
121 0.2183 0.00000
122 0.1097 0.00000
123 -0.0296 0.00000
124 -0.0813 0.00000
125 -0.0048 0.00000
126 0.1527 0.00000
127 -0.0932 0.00000
128 -0.0012 0.00000
129 -0.1960 0.00000
130 0.0631 0.00000
131 0.1629 0.00000
132 -0.1512 0.00000
133 -0.0812 0.00000
134 0.0690 0.00000
135 -0.0399 0.00000
136 0.0653 0.00000
137 -0.5002 0.00000
138 0.2683 0.00000
139 0.0284 0.00000
140 -0.0676 0.00000
141 0.0148 0.00000
142 -0.1138 0.00000
143 -0.0564 0.00000
144 -0.1193 0.00000
145 -0.1544 0.00000
146 -0.1158 0.00000
147 -0.0050 0.00000
148 -0.0467 0.00000
149 0.6573 0.00000
150 0.0200 0.00000
151 -0.2302 0.00000
152 0.0704 0.00000
153 -0.1549 0.00000
154 -0.1302 0.00000
155 0.0342 0.00000
156 0.0738 0.00000
157 0.1276 0.00000
158 0.0361 0.00000
159 0.1012 0.00000
160 -0.2959 0.00000
161 -0.1256 0.00000
162 -0.0666 0.00000
163 0.0172 0.00000
164 0.4731 0.00000
165 0.0205 0.00000
166 0.0329 0.00000
167 -0.0672 0.00000
168 -0.0060 0.00000
169 0.1505 0.00000
170 -0.0968 0.00000
171 0.0592 0.00000
172 0.0194 0.00000
173 0.1045 0.00000
174 -0.0335 0.00000
175 0.0764 0.00000
176 -0.2018 0.00000
177 -0.0583 0.00000
178 -0.0971 0.00000
179 0.0581 0.00000
180 0.0568 0.00000
181 0.0454 0.00000
182 -0.0193 0.00000
183 -0.1731 0.00000
184 -0.1048 0.00000
185 -0.0170 0.00000
186 0.0146 0.00000
187 -0.0438 0.00000
188 0.2221 0.00000
189 -0.0343 0.00000
190 -0.0764 0.00000
191 0.0001 0.00000
192 0.0565 0.00000
193 0.1181 0.00000
194 0.1349 0.00000
195 -0.0390 0.00000
196 0.0780 0.00000
197 -0.0470 0.00000
198 0.1165 0.00000
199 0.0299 0.00000
200 0.1254 0.00000
201 -0.1874 0.00000
202 -0.2042 0.00000
203 -0.0016 0.00000
204 -0.3569 0.00000
205 0.2011 0.00000
206 0.2223 0.00000
207 0.1629 0.00000
208 0.4377 0.00000
209 0.2940 0.00000
210 0.2101 0.00000
211 -0.1741 0.00000
212 0.1011 0.00000
213 0.0150 0.00000
214 -0.5091 0.00000
215 -0.4251 0.00000
216 0.1371 0.00000
217 0.1001 0.00000
218 0.1520 0.00000
219 0.4344 0.00000
220 0.3463 0.00000
221 0.0650 0.00000
222 0.1269 0.00000
223 0.1489 0.00000
224 -0.1670 0.00000
225 -0.3519 0.00000
226 0.1322 0.00000
227 0.0084 0.00000
228 0.0057 0.00000
229 0.2419 0.00000
230 0.1054 0.00000
231 -0.0993 0.00000
232 -0.0438 0.00000
233 -0.0147 0.00000
234 -0.0093 0.00000
235 -0.1944 0.00000
236 -0.0554 0.00000
237 -0.0339 0.00000
238 -0.1423 0.00000
239 -0.0550 0.00000
240 -0.0507 0.00000
241 -0.0927 0.00000
242 0.0510 0.00000
243 0.1257 0.00000
244 0.0632 0.00000
245 0.0170 0.00000
246 -0.0334 0.00000
247 0.4219 0.00000
248 0.7007 0.00000
249 -0.0841 0.00000
250 -0.0533 0.00000
251 -0.1112 0.00000
252 -0.1056 0.00000
253 -0.1879 0.00000
254 -0.1051 0.00000
255 -0.0496 0.00000
256 0.1155 0.00000
257 0.2069 0.00000
258 -0.0288 0.00000
259 -0.0300 0.00000
260 -0.0021 0.00000
261 0.0371 0.00000
262 -0.0166 0.00000
263 -0.0161 0.00000
264 0.0541 0.00000
265 -0.0079 0.00000
266 -0.0161 0.00000
267 -0.1469 0.00000
268 -0.0088 0.00000
269 0.0505 0.00000
270 -0.0615 0.00000
271 0.0112 0.00000
272 0.0244 0.00000
273 -0.0635 0.00000
274 0.2091 0.00000
275 0.0045 0.00000
276 0.0592 0.00000
277 0.0414 0.00000
278 -0.0622 0.00000
279 -0.1176 0.00000
280 0.2300 0.00000
281 0.0243 0.00000
282 -0.0553 0.00000
283 -0.0273 0.00000
284 0.0160 0.00000
285 -0.0064 0.00000
286 -0.1746 0.00000
287 -0.1116 0.00000
288 -0.0685 0.00000
289 0.0057 0.00000
290 0.0189 0.00000
291 0.0050 0.00000
292 -0.0497 0.00000
293 -0.1164 0.00000
294 -0.0496 0.00000
295 -0.0140 0.00000
296 0.0100 0.00000
297 -0.0260 0.00000
298 -0.0579 0.00000
299 -0.0384 0.00000
300 0.0524 0.00000
301 -0.0024 0.00000
302 -0.0348 0.00000
303 0.0328 0.00000
304 0.1388 0.00000
305 0.1213 0.00000
306 0.0035 0.00000
307 -0.0557 0.00000
308 -0.0684 0.00000
309 -0.0036 0.00000
310 0.0071 0.00000
311 0.0517 0.00000
312 -0.1967 0.00000
313 -0.0672 0.00000
314 -0.0039 0.00000
315 -0.0085 0.00000
316 0.1155 0.00000
317 0.0218 0.00000
318 0.0023 0.00000
319 0.1527 0.00000
320 0.0214 0.00000
321 0.0211 0.00000
322 -0.0765 0.00000
323 0.0460 0.00000
324 0.0476 0.00000
325 0.0325 0.00000
326 -0.1307 0.00000
327 0.0240 0.00000
328 0.0882 0.00000
329 0.0670 0.00000
330 0.0348 0.00000
331 -0.0831 0.00000
332 -0.0089 0.00000
333 -0.0278 0.00000
334 -0.0106 0.00000
335 -0.0308 0.00000
336 -0.0211 0.00000
337 0.1182 0.00000
338 -0.2014 0.00000
339 -0.0853 0.00000
340 0.0202 0.00000
341 -0.0236 0.00000
342 -0.0501 0.00000
343 -0.1256 0.00000
344 -0.0078 0.00000
345 -0.0463 0.00000
346 0.0599 0.00000
347 -0.0909 0.00000
348 -0.2024 0.00000
349 0.1175 0.00000
350 -0.1575 0.00000
351 0.1273 0.00000
352 -0.1974 0.00000
353 0.1191 0.00000
354 0.1121 0.00000
355 -0.0575 0.00000
356 -0.0015 0.00000
357 0.0166 0.00000
358 0.1965 0.00000
359 0.1564 0.00000
360 0.1982 0.00000
361 0.0280 0.00000
362 0.1689 0.00000
363 0.0501 0.00000
364 0.0036 0.00000
365 -0.1005 0.00000
366 0.0019 0.00000
367 -0.1390 0.00000
368 -0.0021 0.00000
369 0.2190 0.00000
370 0.0264 0.00000
371 0.0354 0.00000
372 0.0055 0.00000
373 0.1937 0.00000
374 -0.0057 0.00000
375 -0.1740 0.00000
376 -0.1377 0.00000
377 -0.0987 0.00000
378 0.0133 0.00000
379 -0.0906 0.00000
380 0.0417 0.00000
381 0.1123 0.00000
382 0.1304 0.00000
383 -0.0406 0.00000
384 0.0297 0.00000
385 -0.0860 0.00000
386 -0.0150 0.00000
387 -0.0001 0.00000
388 -0.0914 0.00000
389 0.0057 0.00000
390 0.0576 0.00000
391 0.0244 0.00000
392 -0.1016 0.00000
393 0.0204 0.00000
394 0.0401 0.00000
395 0.0859 0.00000
396 -0.0050 0.00000
397 0.0440 0.00000
398 0.1699 0.00000
399 0.1040 0.00000
400 0.1531 0.00000
401 -0.0185 0.00000
402 0.0242 0.00000
403 0.0959 0.00000
404 0.1614 0.00000
405 0.2019 0.00000
406 0.0022 0.00000
407 0.0411 0.00000
408 0.0619 0.00000
409 -0.1012 0.00000
410 -0.0286 0.00000
411 0.1764 0.00000
412 0.0048 0.00000
413 0.2566 0.00000
414 0.1261 0.00000
415 -0.0380 0.00000
416 0.0726 0.00000
417 -0.1049 0.00000
418 0.0741 0.00000
419 0.0001 0.00000
420 -0.0035 0.00000
421 0.0579 0.00000
422 -0.0325 0.00000
423 -0.0343 0.00000
424 0.0142 0.00000
425 -0.0276 0.00000
426 0.0819 0.00000
427 -0.0127 0.00000
428 0.0294 0.00000
429 -0.1973 0.00000
430 0.0728 0.00000
431 -0.0595 0.00000
432 0.1493 0.00000
433 0.0262 0.00000
434 -0.0282 0.00000
435 0.1043 0.00000
436 -0.0717 0.00000
437 0.0319 0.00000
438 -0.1123 0.00000
439 0.0717 0.00000
440 -0.0956 0.00000
441 -0.0076 0.00000
442 -0.0846 0.00000
443 -0.0481 0.00000
444 0.0433 0.00000
445 -0.0451 0.00000
446 0.0513 0.00000
447 0.0962 0.00000
448 0.0607 0.00000
449 -0.0585 0.00000
450 -0.0428 0.00000
451 -0.0241 0.00000
452 0.0376 0.00000
453 -0.0236 0.00000
454 0.0670 0.00000
455 -0.0421 0.00000
456 0.0860 0.00000
457 -0.0746 0.00000
458 -0.1913 0.00000
459 0.1021 0.00000
460 0.0263 0.00000
461 0.0373 0.00000
462 0.1369 0.00000
463 0.0300 0.00000
464 -0.0562 0.00000
465 0.1102 0.00000
466 0.0361 0.00000
467 -0.0201 0.00000
468 -0.0503 0.00000
469 -0.0150 0.00000
470 -0.0082 0.00000
471 0.0654 0.00000
472 0.0095 0.00000
473 -0.2000 0.00000
474 -0.0408 0.00000
475 -0.1365 0.00000
476 0.0899 0.00000
477 0.0402 0.00000
478 -0.1686 0.00000
479 0.0033 0.00000
480 -0.0139 0.00000
481 -0.0505 0.00000
482 0.0692 0.00000
483 -0.0879 0.00000
484 -0.0688 0.00000
485 -0.0385 0.00000
486 -0.0894 0.00000
487 0.0330 0.00000
488 0.0926 0.00000
489 0.0914 0.00000
490 0.0146 0.00000
491 0.0597 0.00000
492 -0.0911 0.00000
493 -0.0295 0.00000
494 -0.0043 0.00000
495 -0.1009 0.00000
496 -0.0309 0.00000
497 0.0533 0.00000
498 -0.0184 0.00000
499 0.0632 0.00000
500 -0.0805 0.00000
501 0.0773 0.00000
502 0.0437 0.00000
503 0.1406 0.00000
504 0.0100 0.00000
505 0.0117 0.00000
506 -0.0175 0.00000
507 -0.0552 0.00000
508 0.0418 0.00000
509 0.0110 0.00000
510 0.0235 0.00000
511 -0.0328 0.00000
512 -0.2258 0.00000
513 0.0298 0.00000
514 -0.0579 0.00000
515 0.0786 0.00000
516 0.0017 0.00000
517 0.0063 0.00000
518 -0.1280 0.00000
519 -0.0923 0.00000
520 -0.1091 0.00000
521 0.0133 0.00000
522 0.0034 0.00000
523 -0.0048 0.00000
524 -0.0496 0.00000
525 0.1082 0.00000
526 0.0009 0.00000
527 0.0358 0.00000
528 0.2796 0.00000
529 -0.0449 0.00000
530 0.1820 0.00000
531 0.0821 0.00000
532 0.0006 0.00000
533 0.0658 0.00000
534 0.1080 0.00000
535 0.3718 0.00000
536 0.1211 0.00000
537 -0.0468 0.00000
538 -0.2047 0.00000
539 -0.0969 0.00000
540 0.1568 0.00000
541 0.1654 0.00000
542 -0.0070 0.00000
543 0.0326 0.00000
544 0.0468 0.00000
545 -0.0032 0.00000
546 -0.1028 0.00000
547 0.0523 0.00000
548 -0.0504 0.00000
549 0.0592 0.00000
550 0.0513 0.00000
551 0.0890 0.00000
552 -0.0053 0.00000
553 0.0323 0.00000
554 -0.0174 0.00000
555 0.0675 0.00000
556 0.1114 0.00000
557 0.0228 0.00000
558 -0.0088 0.00000
559 0.1120 0.00000
560 0.1904 0.00000
561 -0.0278 0.00000
562 0.0368 0.00000
563 0.0914 0.00000
564 0.0338 0.00000
565 0.0287 0.00000
566 0.0208 0.00000
567 0.0614 0.00000
568 -0.0051 0.00000
569 -0.0751 0.00000
570 -0.1175 0.00000
571 0.0214 0.00000
572 0.0171 0.00000
573 0.1326 0.00000
574 0.0090 0.00000
575 -0.0560 0.00000
576 -0.1082 0.00000
577 -0.2295 0.00000
578 -0.0186 0.00000
579 0.1475 0.00000
580 -0.0605 0.00000
581 -0.1414 0.00000
582 -0.0549 0.00000
583 -0.0051 0.00000
584 0.1830 0.00000
585 -0.0594 0.00000
586 -0.0323 0.00000
587 0.0789 0.00000
588 -0.1537 0.00000
589 0.0239 0.00000
590 -0.1506 0.00000
591 -0.0452 0.00000
592 -0.0521 0.00000
593 -0.0284 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1006 0.00000
597 -0.1196 0.00000
598 0.0634 0.00000
599 0.0634 0.00000
600 -0.0207 0.00000
601 -0.1407 0.00000
602 0.0210 0.00000
603 0.0340 0.00000
604 -0.0999 0.00000
605 0.2041 0.00000
606 -0.0422 0.00000
607 0.0140 0.00000
608 -0.0373 0.00000
609 0.0053 0.00000
610 -0.0148 0.00000
611 0.0288 0.00000
612 -0.0356 0.00000
613 -0.0915 0.00000
614 0.0025 0.00000
615 0.0591 0.00000
616 0.0821 0.00000
617 0.0426 0.00000
618 0.0038 0.00000
619 -0.0410 0.00000
620 0.0106 0.00000
621 0.0104 0.00000
622 0.0135 0.00000
623 -0.0565 0.00000
624 -0.0734 0.00000
625 -0.0694 0.00000
626 0.0458 0.00000
627 -0.0204 0.00000
628 0.0642 0.00000
629 0.0258 0.00000
630 0.0777 0.00000
631 -0.0042 0.00000
632 -0.0816 0.00000
633 0.0092 0.00000
634 -0.0171 0.00000
635 0.0203 0.00000
636 0.0469 0.00000
637 -0.0443 0.00000
638 0.0245 0.00000
639 0.0304 0.00000
640 -0.0266 0.00000
641 -0.0991 0.00000
642 -0.0374 0.00000
643 0.0161 0.00000
644 -0.0799 0.00000
645 0.0294 0.00000
646 0.0437 0.00000
647 -0.0315 0.00000
648 0.0998 0.00000
649 -0.0559 0.00000
650 0.0001 0.00000
651 -0.0104 0.00000
652 0.0366 0.00000
653 -0.0686 0.00000
654 -0.0213 0.00000
655 0.0239 0.00000
656 -0.0553 0.00000
657 -0.0125 0.00000
658 -0.0286 0.00000
659 -0.1208 0.00000
660 -0.0245 0.00000
661 0.0131 0.00000
662 -0.0527 0.00000
663 0.0329 0.00000
664 0.0119 0.00000
665 0.0342 0.00000
666 -0.0373 0.00000
667 0.0292 0.00000
668 -0.0593 0.00000
669 -0.0011 0.00000
670 -0.0340 0.00000
671 -0.0346 0.00000
672 0.0101 0.00000
673 -0.0212 0.00000
674 -0.0786 0.00000
675 -0.0141 0.00000
676 0.0012 0.00000
677 -0.1384 0.00000
678 -0.0245 0.00000
679 -0.0459 0.00000
680 -0.0387 0.00000
681 -0.0389 0.00000
682 -0.1525 0.00000
683 -0.0527 0.00000
684 -0.0762 0.00000
685 -0.0376 0.00000
686 -0.0098 0.00000
687 -0.0153 0.00000
688 -0.0035 0.00000
689 -0.0524 0.00000
690 -0.0550 0.00000
691 0.0145 0.00000
692 -0.0578 0.00000
693 -0.0833 0.00000
694 0.0188 0.00000
695 0.0326 0.00000
696 0.0284 0.00000
697 -0.0943 0.00000
698 -0.0038 0.00000
699 0.0060 0.00000
700 -0.0880 0.00000
701 0.0911 0.00000
702 -0.0213 0.00000
703 0.0389 0.00000
704 -0.0525 0.00000
705 -0.0821 0.00000
706 -0.0038 0.00000
707 -0.0960 0.00000
708 -0.0218 0.00000
709 -0.0830 0.00000
710 -0.0213 0.00000
711 -0.0023 0.00000
712 -0.0144 0.00000
713 -0.0317 0.00000
714 -0.0834 0.00000
715 0.0464 0.00000
716 0.0633 0.00000
717 -0.0408 0.00000
718 -0.0794 0.00000
719 -0.0521 0.00000
720 -0.0715 0.00000
721 -0.0474 0.00000
722 -0.0285 0.00000
723 0.0790 0.00000
724 0.0761 0.00000
725 -0.0736 0.00000
726 -0.0978 0.00000
727 -0.0059 0.00000
728 -0.0242 0.00000
729 0.0403 0.00000
730 0.0666 0.00000
731 0.0215 0.00000
732 0.0240 0.00000
733 0.0063 0.00000
734 -0.0500 0.00000
735 0.0358 0.00000
736 0.0014 0.00000
737 0.0062 0.00000
738 0.0209 0.00000
739 -0.1323 0.00000
740 -0.0143 0.00000
741 0.0329 0.00000
742 -0.0545 0.00000
743 -0.0277 0.00000
744 -0.0074 0.00000
745 -0.0177 0.00000
746 0.0261 0.00000
747 0.0188 0.00000
748 -0.0678 0.00000
749 0.1524 0.00000
750 -0.0498 0.00000
751 -0.0792 0.00000
752 0.0244 0.00000
753 -0.0126 0.00000
754 -0.0622 0.00000
755 -0.0011 0.00000
756 0.0892 0.00000
757 0.0429 0.00000
758 -0.0379 0.00000
759 0.0566 0.00000
760 -0.0541 0.00000
761 0.0352 0.00000
762 -0.0458 0.00000
763 0.1322 0.00000
764 0.0365 0.00000
765 -0.0177 0.00000
766 -0.0073 0.00000
767 -0.0334 0.00000
768 0.0420 0.00000
769 -0.0024 0.00000
770 0.0414 0.00000
771 0.0165 0.00000
772 0.0023 0.00000
773 0.0401 0.00000
774 0.0058 0.00000
775 0.0270 0.00000
776 -0.0591 0.00000
777 -0.0077 0.00000
778 -0.0193 0.00000
779 -0.0105 0.00000
780 -0.0153 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.1284 0.00000
2 -0.0839 0.00000
3 -0.0423 0.00000
4 0.0962 0.00000
5 0.8365 0.00000
6 0.2438 0.00000
7 0.0439 0.00000
8 0.0476 0.00000
9 0.5536 0.00000
10 0.2598 0.00000
11 -0.1943 0.00000
12 0.1211 0.00000
13 -0.0393 0.00000
14 0.0248 0.00000
15 -0.0620 0.00000
16 -0.1662 0.00000
17 0.0926 0.00000
18 0.0092 0.00000
19 0.0228 0.00000
20 -0.0363 0.00000
21 0.0574 0.00000
22 -0.0110 0.00000
23 0.0516 0.00000
24 -0.3198 0.00000
25 0.4374 0.00000
26 0.1171 0.00000
27 0.0834 0.00000
28 0.2068 0.00000
29 -0.1836 0.00000
30 -0.0798 0.00000
31 -0.4483 0.00000
32 -0.0095 0.00000
33 0.1061 0.00000
34 0.1529 0.00000
35 0.0810 0.00000
36 0.0491 0.00000
37 0.0046 0.00000
38 0.1729 0.00000
39 0.0198 0.00000
40 0.0026 0.00000
41 0.4310 0.00000
42 -0.2430 0.00000
43 0.2662 0.00000
44 -0.1035 0.00000
45 0.0115 0.00000
46 -0.4074 0.00000
47 -0.3122 0.00000
48 0.0519 0.00000
49 -0.0034 0.00000
50 -0.1806 0.00000
51 0.1269 0.00000
52 -0.3207 0.00000
53 -0.0141 0.00000
54 0.0408 0.00000
55 0.2172 0.00000
56 -0.0881 0.00000
57 0.0167 0.00000
58 0.4096 0.00000
59 0.8037 0.00000
60 -0.9294 0.00000
61 -0.0287 0.00000
62 0.6630 0.00000
63 0.1187 0.00000
64 -0.6871 0.00000
65 0.5403 0.00000
66 -0.0003 0.00000
67 1.1353 0.00000
68 -1.0064 0.00000
69 0.1061 0.00000
70 0.3492 0.00000
71 0.1891 0.00000
72 0.1032 0.00000
73 0.0819 0.00000
74 0.1431 0.00000
75 -0.0546 0.00000
76 -0.0285 0.00000
77 -0.0191 0.00000
78 0.2647 0.00000
79 -0.2839 0.00000
80 -0.1134 0.00000
81 -0.1605 0.00000
82 0.0877 0.00000
83 0.0029 0.00000
84 -0.0493 0.00000
85 -0.0460 0.00000
86 -0.0519 0.00000
87 -0.0587 0.00000
88 -0.0862 0.00000
89 -0.0594 0.00000
90 0.0304 0.00000
91 -0.0787 0.00000
92 -0.0544 0.00000
93 -0.1343 0.00000
94 -0.2294 0.00000
95 -0.3412 0.00000
96 -0.1815 0.00000
97 -0.0021 0.00000
98 0.0927 0.00000
99 0.2119 0.00000
100 -0.2010 0.00000
101 0.0943 0.00000
102 0.3678 0.00000
103 0.1262 0.00000
104 -0.0854 0.00000
105 0.0573 0.00000
106 -0.1364 0.00000
107 -0.1924 0.00000
108 -0.0920 0.00000
109 0.0802 0.00000
110 -0.2405 0.00000
111 -0.1059 0.00000
112 0.0714 0.00000
113 0.0285 0.00000
114 -0.0341 0.00000
115 0.1350 0.00000
116 -0.1697 0.00000
117 0.0389 0.00000
118 -0.1084 0.00000
119 0.1726 0.00000
120 -0.0903 0.00000
121 0.2119 0.00000
122 0.0987 0.00000
123 0.0557 0.00000
124 -0.1531 0.00000
125 -0.0090 0.00000
126 0.1484 0.00000
127 -0.1147 0.00000
128 0.0399 0.00000
129 -0.2002 0.00000
130 0.0739 0.00000
131 0.1573 0.00000
132 -0.1710 0.00000
133 -0.0682 0.00000
134 0.0616 0.00000
135 -0.0393 0.00000
136 0.0567 0.00000
137 -0.4996 0.00000
138 0.2744 0.00000
139 0.0306 0.00000
140 -0.0585 0.00000
141 0.0144 0.00000
142 -0.1147 0.00000
143 -0.0598 0.00000
144 -0.1258 0.00000
145 -0.1510 0.00000
146 -0.1163 0.00000
147 -0.0050 0.00000
148 -0.0743 0.00000
149 0.7273 0.00000
150 -0.0095 0.00000
151 -0.2579 0.00000
152 0.0102 0.00000
153 -0.1435 0.00000
154 -0.0656 0.00000
155 0.1627 0.00000
156 0.0361 0.00000
157 -0.0902 0.00000
158 0.0675 0.00000
159 0.0167 0.00000
160 0.0510 0.00000
161 -0.0212 0.00000
162 -0.4379 0.00000
163 0.5256 0.00000
164 0.0698 0.00000
165 0.0164 0.00000
166 -0.1197 0.00000
167 0.1352 0.00000
168 0.1168 0.00000
169 -0.1146 0.00000
170 -0.0263 0.00000
171 -0.0060 0.00000
172 -0.0224 0.00000
173 0.0969 0.00000
174 0.0833 0.00000
175 0.0300 0.00000
176 -0.0587 0.00000
177 0.0338 0.00000
178 -0.4030 0.00000
179 0.2441 0.00000
180 0.0343 0.00000
181 0.0158 0.00000
182 0.0049 0.00000
183 -0.0286 0.00000
184 -0.0815 0.00000
185 -0.3545 0.00000
186 -0.0771 0.00000
187 0.0439 0.00000
188 0.1823 0.00000
189 0.1155 0.00000
190 0.1854 0.00000
191 -0.0460 0.00000
192 -0.2713 0.00000
193 -0.1508 0.00000
194 0.3051 0.00000
195 0.1298 0.00000
196 0.2387 0.00000
197 -0.0439 0.00000
198 0.1057 0.00000
199 -0.0063 0.00000
200 0.1817 0.00000
201 -0.0230 0.00000
202 -0.3721 0.00000
203 -0.0244 0.00000
204 -0.6414 0.00000
205 0.2549 0.00000
206 0.4200 0.00000
207 0.1758 0.00000
208 0.2197 0.00000
209 0.4925 0.00000
210 0.2393 0.00000
211 -0.2919 0.00000
212 -0.1392 0.00000
213 0.1134 0.00000
214 -0.2354 0.00000
215 -0.3616 0.00000
216 -0.0047 0.00000
217 0.1251 0.00000
218 0.0623 0.00000
219 0.3232 0.00000
220 0.0038 0.00000
221 0.6944 0.00000
222 0.0738 0.00000
223 0.1368 0.00000
224 -0.2538 0.00000
225 -0.3632 0.00000
226 0.2121 0.00000
227 0.0048 0.00000
228 0.0073 0.00000
229 0.2344 0.00000
230 0.1033 0.00000
231 -0.1006 0.00000
232 -0.0477 0.00000
233 -0.0134 0.00000
234 -0.0101 0.00000
235 -0.1776 0.00000
236 -0.0629 0.00000
237 -0.0103 0.00000
238 -0.1892 0.00000
239 -0.0466 0.00000
240 -0.0388 0.00000
241 -0.1034 0.00000
242 0.0291 0.00000
243 0.1024 0.00000
244 0.0510 0.00000
245 0.1270 0.00000
246 -0.0106 0.00000
247 0.1922 0.00000
248 0.8594 0.00000
249 -0.0642 0.00000
250 -0.1029 0.00000
251 0.0012 0.00000
252 -0.3324 0.00000
253 -0.0141 0.00000
254 0.0284 0.00000
255 -0.0673 0.00000
256 0.0797 0.00000
257 -0.0141 0.00000
258 0.0525 0.00000
259 -0.0078 0.00000
260 0.0232 0.00000
261 -0.0385 0.00000
262 -0.0037 0.00000
263 0.0410 0.00000
264 0.0468 0.00000
265 0.0251 0.00000
266 -0.0579 0.00000
267 -0.0870 0.00000
268 -0.0562 0.00000
269 -0.0166 0.00000
270 -0.0366 0.00000
271 0.0418 0.00000
272 0.0496 0.00000
273 -0.0455 0.00000
274 0.1430 0.00000
275 0.1207 0.00000
276 0.0160 0.00000
277 -0.0137 0.00000
278 -0.0136 0.00000
279 -0.0748 0.00000
280 -0.0222 0.00000
281 0.1966 0.00000
282 -0.0852 0.00000
283 0.0007 0.00000
284 -0.0079 0.00000
285 -0.1354 0.00000
286 0.0502 0.00000
287 -0.1782 0.00000
288 -0.0828 0.00000
289 0.0202 0.00000
290 -0.0537 0.00000
291 -0.0321 0.00000
292 -0.0550 0.00000
293 0.0320 0.00000
294 -0.0541 0.00000
295 -0.1033 0.00000
296 0.0554 0.00000
297 0.0800 0.00000
298 -0.1427 0.00000
299 -0.0591 0.00000
300 -0.0348 0.00000
301 0.0786 0.00000
302 0.0192 0.00000
303 0.1254 0.00000
304 0.1768 0.00000
305 -0.0322 0.00000
306 -0.0686 0.00000
307 -0.0616 0.00000
308 0.0468 0.00000
309 0.0534 0.00000
310 -0.0233 0.00000
311 0.0047 0.00000
312 -0.1521 0.00000
313 -0.0565 0.00000
314 -0.0736 0.00000
315 -0.0087 0.00000
316 0.1239 0.00000
317 0.0634 0.00000
318 -0.0284 0.00000
319 0.1040 0.00000
320 0.0719 0.00000
321 0.0231 0.00000
322 0.0441 0.00000
323 -0.0965 0.00000
324 0.0029 0.00000
325 -0.0620 0.00000
326 0.0202 0.00000
327 0.0620 0.00000
328 -0.1171 0.00000
329 0.0228 0.00000
330 0.0140 0.00000
331 -0.0030 0.00000
332 -0.0122 0.00000
333 -0.0713 0.00000
334 -0.0182 0.00000
335 0.0296 0.00000
336 0.0027 0.00000
337 -0.0393 0.00000
338 0.0868 0.00000
339 -0.0069 0.00000
340 -0.2142 0.00000
341 0.0032 0.00000
342 -0.0239 0.00000
343 -0.0612 0.00000
344 0.0159 0.00000
345 -0.0537 0.00000
346 0.2735 0.00000
347 -0.2110 0.00000
348 -0.1116 0.00000
349 -0.0450 0.00000
350 0.1504 0.00000
351 0.1118 0.00000
352 -0.0118 0.00000
353 0.0142 0.00000
354 -0.2723 0.00000
355 0.0157 0.00000
356 0.0274 0.00000
357 -0.0800 0.00000
358 0.0317 0.00000
359 0.1664 0.00000
360 0.1918 0.00000
361 0.2642 0.00000
362 0.1158 0.00000
363 -0.1307 0.00000
364 -0.0600 0.00000
365 -0.0083 0.00000
366 -0.0609 0.00000
367 -0.1004 0.00000
368 0.1688 0.00000
369 0.0744 0.00000
370 -0.0453 0.00000
371 0.1567 0.00000
372 0.1917 0.00000
373 -0.0232 0.00000
374 -0.0677 0.00000
375 0.0652 0.00000
376 0.0392 0.00000
377 -0.2017 0.00000
378 -0.0650 0.00000
379 0.0475 0.00000
380 -0.0491 0.00000
381 -0.1023 0.00000
382 0.0544 0.00000
383 -0.0883 0.00000
384 0.0732 0.00000
385 0.0142 0.00000
386 0.0445 0.00000
387 0.0507 0.00000
388 -0.1285 0.00000
389 0.2657 0.00000
390 -0.0610 0.00000
391 0.0434 0.00000
392 -0.1707 0.00000
393 -0.0029 0.00000
394 -0.1786 0.00000
395 -0.0213 0.00000
396 0.2272 0.00000
397 0.1258 0.00000
398 0.1864 0.00000
399 0.0804 0.00000
400 -0.0145 0.00000
401 0.0368 0.00000
402 0.0922 0.00000
403 0.1080 0.00000
404 -0.0186 0.00000
405 0.0512 0.00000
406 0.0138 0.00000
407 0.3301 0.00000
408 0.0044 0.00000
409 0.0425 0.00000
410 0.1125 0.00000
411 0.0774 0.00000
412 0.1940 0.00000
413 0.0109 0.00000
414 0.0383 0.00000
415 0.0342 0.00000
416 -0.0478 0.00000
417 0.0838 0.00000
418 -0.1806 0.00000
419 0.0050 0.00000
420 0.0508 0.00000
421 -0.0088 0.00000
422 -0.1303 0.00000
423 0.0521 0.00000
424 0.1442 0.00000
425 0.0308 0.00000
426 0.0277 0.00000
427 -0.0246 0.00000
428 0.0182 0.00000
429 0.0386 0.00000
430 0.0142 0.00000
431 -0.1048 0.00000
432 0.1048 0.00000
433 0.0393 0.00000
434 0.0749 0.00000
435 -0.0187 0.00000
436 -0.0821 0.00000
437 -0.1310 0.00000
438 0.0064 0.00000
439 -0.1733 0.00000
440 -0.0380 0.00000
441 0.0308 0.00000
442 0.0222 0.00000
443 -0.0147 0.00000
444 0.0253 0.00000
445 0.0274 0.00000
446 0.0729 0.00000
447 0.0759 0.00000
448 0.0591 0.00000
449 0.1167 0.00000
450 0.0451 0.00000
451 -0.0390 0.00000
452 -0.1107 0.00000
453 -0.1654 0.00000
454 -0.0094 0.00000
455 0.0178 0.00000
456 -0.0555 0.00000
457 0.0910 0.00000
458 -0.0017 0.00000
459 0.0149 0.00000
460 -0.0474 0.00000
461 -0.0265 0.00000
462 -0.0252 0.00000
463 0.0736 0.00000
464 0.0389 0.00000
465 0.1409 0.00000
466 -0.0387 0.00000
467 0.0427 0.00000
468 -0.0665 0.00000
469 0.1045 0.00000
470 -0.0531 0.00000
471 -0.0094 0.00000
472 -0.0425 0.00000
473 -0.0355 0.00000
474 -0.0826 0.00000
475 -0.0977 0.00000
476 -0.0762 0.00000
477 0.0529 0.00000
478 -0.0083 0.00000
479 -0.1339 0.00000
480 0.0109 0.00000
481 0.0193 0.00000
482 -0.0498 0.00000
483 -0.0069 0.00000
484 -0.0271 0.00000
485 -0.0288 0.00000
486 -0.0860 0.00000
487 0.0598 0.00000
488 0.0112 0.00000
489 -0.0734 0.00000
490 0.0360 0.00000
491 0.0029 0.00000
492 -0.0249 0.00000
493 -0.1013 0.00000
494 -0.0269 0.00000
495 -0.0170 0.00000
496 0.2503 0.00000
497 0.0676 0.00000
498 0.0109 0.00000
499 -0.0102 0.00000
500 0.0280 0.00000
501 0.1252 0.00000
502 -0.0673 0.00000
503 -0.0275 0.00000
504 0.0312 0.00000
505 0.0026 0.00000
506 -0.0033 0.00000
507 -0.0149 0.00000
508 -0.0039 0.00000
509 0.0373 0.00000
510 0.0339 0.00000
511 0.0138 0.00000
512 -0.0566 0.00000
513 -0.0826 0.00000
514 -0.1367 0.00000
515 0.1038 0.00000
516 0.0240 0.00000
517 -0.0859 0.00000
518 -0.0110 0.00000
519 -0.1106 0.00000
520 -0.0474 0.00000
521 -0.0957 0.00000
522 0.0756 0.00000
523 0.1384 0.00000
524 0.0244 0.00000
525 -0.0986 0.00000
526 0.1058 0.00000
527 0.0350 0.00000
528 -0.0205 0.00000
529 0.0004 0.00000
530 -0.1294 0.00000
531 0.1846 0.00000
532 -0.1153 0.00000
533 0.0167 0.00000
534 0.0824 0.00000
535 0.2822 0.00000
536 0.0774 0.00000
537 0.3053 0.00000
538 -0.2655 0.00000
539 0.2280 0.00000
540 0.0514 0.00000
541 -0.0172 0.00000
542 0.1772 0.00000
543 0.0384 0.00000
544 0.1396 0.00000
545 -0.1242 0.00000
546 0.1779 0.00000
547 -0.0276 0.00000
548 -0.0596 0.00000
549 0.0582 0.00000
550 -0.0090 0.00000
551 0.0624 0.00000
552 0.0538 0.00000
553 0.0160 0.00000
554 0.0149 0.00000
555 0.1208 0.00000
556 -0.0197 0.00000
557 -0.0026 0.00000
558 0.0509 0.00000
559 -0.0426 0.00000
560 0.1066 0.00000
561 0.1208 0.00000
562 -0.0029 0.00000
563 0.0270 0.00000
564 0.1059 0.00000
565 0.0040 0.00000
566 0.0794 0.00000
567 -0.0026 0.00000
568 -0.0260 0.00000
569 0.0071 0.00000
570 0.0291 0.00000
571 -0.0126 0.00000
572 0.0413 0.00000
573 -0.0529 0.00000
574 0.0908 0.00000
575 -0.0987 0.00000
576 -0.0810 0.00000
577 -0.0738 0.00000
578 -0.2052 0.00000
579 -0.0326 0.00000
580 0.0427 0.00000
581 -0.0791 0.00000
582 -0.0832 0.00000
583 0.0694 0.00000
584 0.2227 0.00000
585 -0.0501 0.00000
586 -0.1013 0.00000
587 0.0728 0.00000
588 -0.1467 0.00000
589 0.0249 0.00000
590 -0.1446 0.00000
591 -0.0461 0.00000
592 -0.0538 0.00000
593 -0.0280 0.00000
594 -0.0594 0.00000
595 -0.0576 0.00000
596 -0.1006 0.00000
597 -0.1196 0.00000
598 0.0630 0.00000
599 0.0636 0.00000
600 0.0478 0.00000
601 -0.0521 0.00000
602 -0.0829 0.00000
603 -0.0554 0.00000
604 -0.1304 0.00000
605 0.0008 0.00000
606 0.1779 0.00000
607 -0.0088 0.00000
608 0.0516 0.00000
609 0.0316 0.00000
610 0.0066 0.00000
611 -0.0066 0.00000
612 -0.0164 0.00000
613 -0.1113 0.00000
614 0.0345 0.00000
615 0.2285 0.00000
616 -0.0875 0.00000
617 0.0578 0.00000
618 -0.1035 0.00000
619 -0.0173 0.00000
620 -0.0335 0.00000
621 0.0372 0.00000
622 0.0039 0.00000
623 -0.0726 0.00000
624 0.0884 0.00000
625 -0.0265 0.00000
626 -0.0004 0.00000
627 -0.0661 0.00000
628 0.0152 0.00000
629 -0.0187 0.00000
630 -0.0149 0.00000
631 -0.0017 0.00000
632 0.1584 0.00000
633 -0.0152 0.00000
634 -0.0353 0.00000
635 0.0096 0.00000
636 -0.0078 0.00000
637 0.0296 0.00000
638 -0.0727 0.00000
639 -0.0018 0.00000
640 -0.1052 0.00000
641 -0.0198 0.00000
642 0.1062 0.00000
643 -0.0467 0.00000
644 -0.0864 0.00000
645 -0.0311 0.00000
646 0.0584 0.00000
647 -0.0366 0.00000
648 0.0030 0.00000
649 -0.0065 0.00000
650 -0.0061 0.00000
651 -0.1002 0.00000
652 -0.0231 0.00000
653 -0.0039 0.00000
654 0.0339 0.00000
655 -0.0075 0.00000
656 -0.0624 0.00000
657 0.0423 0.00000
658 -0.0055 0.00000
659 -0.0300 0.00000
660 0.0175 0.00000
661 -0.0617 0.00000
662 -0.0439 0.00000
663 0.0186 0.00000
664 0.0012 0.00000
665 -0.0513 0.00000
666 -0.0541 0.00000
667 -0.0240 0.00000
668 -0.0524 0.00000
669 -0.0391 0.00000
670 -0.0269 0.00000
671 0.0332 0.00000
672 -0.0202 0.00000
673 0.0393 0.00000
674 -0.0357 0.00000
675 0.0156 0.00000
676 0.0184 0.00000
677 0.0134 0.00000
678 -0.0520 0.00000
679 -0.0400 0.00000
680 0.0035 0.00000
681 -0.0345 0.00000
682 -0.0242 0.00000
683 -0.0463 0.00000
684 -0.1114 0.00000
685 -0.1911 0.00000
686 -0.0822 0.00000
687 -0.0398 0.00000
688 -0.0933 0.00000
689 -0.0770 0.00000
690 -0.0403 0.00000
691 0.0592 0.00000
692 -0.0279 0.00000
693 0.0153 0.00000
694 -0.0517 0.00000
695 0.0238 0.00000
696 -0.0135 0.00000
697 -0.0085 0.00000
698 0.0337 0.00000
699 0.0577 0.00000
700 -0.0581 0.00000
701 -0.0515 0.00000
702 -0.0942 0.00000
703 0.0190 0.00000
704 0.0130 0.00000
705 -0.0766 0.00000
706 -0.0605 0.00000
707 0.0397 0.00000
708 -0.0271 0.00000
709 -0.0534 0.00000
710 0.0485 0.00000
711 -0.0712 0.00000
712 0.0122 0.00000
713 -0.1025 0.00000
714 -0.0510 0.00000
715 -0.0389 0.00000
716 -0.0221 0.00000
717 -0.0174 0.00000
718 0.0217 0.00000
719 0.0137 0.00000
720 -0.0558 0.00000
721 -0.0546 0.00000
722 0.0271 0.00000
723 -0.1088 0.00000
724 0.0051 0.00000
725 0.0506 0.00000
726 -0.0618 0.00000
727 0.0369 0.00000
728 -0.0857 0.00000
729 -0.0331 0.00000
730 -0.0181 0.00000
731 0.0078 0.00000
732 0.0087 0.00000
733 -0.0033 0.00000
734 -0.0214 0.00000
735 0.0852 0.00000
736 0.0414 0.00000
737 -0.0101 0.00000
738 0.0295 0.00000
739 -0.0181 0.00000
740 -0.0162 0.00000
741 0.0190 0.00000
742 0.0172 0.00000
743 -0.0656 0.00000
744 -0.0082 0.00000
745 0.0301 0.00000
746 0.0247 0.00000
747 -0.0712 0.00000
748 0.0479 0.00000
749 0.0407 0.00000
750 -0.0454 0.00000
751 0.0039 0.00000
752 0.0254 0.00000
753 0.0037 0.00000
754 -0.0674 0.00000
755 0.0194 0.00000
756 0.0051 0.00000
757 -0.0623 0.00000
758 0.0196 0.00000
759 -0.0467 0.00000
760 -0.0202 0.00000
761 -0.0394 0.00000
762 -0.0160 0.00000
763 -0.0057 0.00000
764 0.0575 0.00000
765 0.0296 0.00000
766 0.0383 0.00000
767 0.0084 0.00000
768 -0.0156 0.00000
769 0.0072 0.00000
770 -0.0394 0.00000
771 -0.0139 0.00000
772 -0.0717 0.00000
773 0.0013 0.00000
774 0.0128 0.00000
775 0.0343 0.00000
776 0.0201 0.00000
777 0.0505 0.00000
778 0.0129 0.00000
779 -0.0457 0.00000
780 0.0390 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 7 DIRECTION 3 (eV/Angst):
-----------------------------------------------------------------------------
21.19798 -1.42320 -2.10937
-1.42348-19.13869 -9.17956
-2.10912 -9.17946 -6.64749
POSITION FORCE-CONSTANT FOR ION 7 DIRECTION 3 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.025500 -0.009395 0.342147
4.30302 2.15352 7.05746 -1.080128 0.280521 0.347857
1.30883 4.06731 2.03161 0.057567 -0.007033 0.468188
3.96992 4.32885 4.13194 -0.107724 0.016421 0.410841
1.29275 3.05683 8.10201 -0.559028 2.472053 4.160197
3.79636 1.47547 14.70421 0.032534 -0.607823 0.374320
1.24643 4.63551 10.86193 -1.634910 -1.967229 -38.624100
3.89005 4.20092 12.88287 2.393265 -0.593437 2.298289
1.04482 6.69020 17.44020 0.014072 -0.018110 0.436351
3.77370 7.04599 6.61024 -0.681652 -0.084948 0.524110
0.71312 9.21049 2.53845 -0.011387 0.022563 0.244334
3.86880 9.70388 4.59023 -0.012658 -0.216769 0.233410
1.19399 7.29663 8.75952 -0.051508 -2.905632 2.478265
4.14925 6.52609 15.71477 0.259603 0.383436 0.455610
1.16791 10.19708 10.50563 0.083222 -0.792800 -0.726426
3.90202 11.30466 11.97145 -0.148024 -0.038543 -0.158982
1.41963 13.48240 16.88000 0.019543 0.001178 0.057450
3.89470 12.50036 6.39588 -0.076863 -0.042045 0.032384
1.24092 15.65995 2.03746 -0.070170 -0.066534 0.184404
3.45676 13.88732 3.60018 0.002439 -0.016694 0.097753
1.37686 12.90671 8.69683 -0.048357 -0.131865 0.029056
4.20896 12.98001 14.89140 -0.019444 -0.039320 -0.034303
1.28271 15.54574 11.35729 0.021647 0.073646 -0.320211
4.02704 16.14416 13.12883 -0.018221 -0.248460 -0.216009
8.51844 2.13686 0.32759 -0.008525 -0.009510 0.095330
10.42520 1.68659 6.72748 0.003398 0.011886 0.007810
6.89192 4.41938 2.41726 -0.139468 -0.046194 0.233028
10.22536 4.35381 4.16682 -0.011547 0.000217 0.049174
7.19238 2.15284 8.75827 -0.294202 -0.065915 -0.353059
10.67141 2.29852 15.08728 -0.043546 -0.079617 0.050768
7.24075 4.59797 11.01224 0.304392 0.021917 -0.629872
10.30176 4.56419 12.61212 0.020799 0.009386 0.057640
6.40057 6.85176 0.36515 0.143609 0.070515 0.273330
9.75325 6.62606 6.90745 -0.037823 0.049430 -0.013390
6.24007 9.67823 1.67645 -0.006617 0.085712 0.152856
6.65558 7.06042 8.79421 -0.267480 0.053657 -0.342178
11.80692 6.94639 14.05727 -0.072492 0.106564 0.034793
6.39955 9.97659 10.34026 -0.056532 -0.018975 -0.092635
11.03265 10.16848 13.84914 -0.017725 0.098665 -0.017186
6.77345 12.10505 16.99256 -0.002683 0.014479 0.042069
10.32223 13.09442 6.99099 -0.019938 -0.005014 -0.007678
10.59365 15.96480 4.77521 -0.001261 0.004355 0.031218
6.94250 12.79247 7.88185 -0.058529 -0.002211 -0.031602
10.18654 12.31147 16.08279 0.000078 0.021356 0.035835
7.13888 17.01345 11.20310 0.011511 -0.027185 -0.107197
10.37682 0.23169 12.64835 -0.020345 -0.057100 -0.051036
13.24904 1.54346 17.14370 -0.170140 -0.051509 0.235867
15.89410 1.64185 6.44545 0.689134 0.040651 0.345874
12.98857 4.28042 2.14546 0.026702 0.013947 0.199902
15.96785 4.32998 4.48967 0.151366 0.043404 0.428683
13.27097 1.52537 8.57426 0.273325 -0.121381 -0.403883
16.03461 1.53130 15.21659 -0.263210 -0.720659 0.494272
13.37701 3.97590 10.80799 -0.247343 0.126441 -0.774834
16.23421 4.17555 13.11475 -3.075909 -0.520963 3.150392
13.12188 6.75851 16.83328 -0.087008 -0.038456 0.162937
16.15350 6.82329 6.57280 0.720226 -0.051770 0.627324
13.80451 11.28726 3.11364 0.066475 -0.052844 0.105021
16.01530 9.31599 4.57229 -0.006801 -0.174617 0.287013
16.24774 6.95131 14.97400 0.013164 0.865925 0.550170
13.37358 11.10317 11.33384 -0.006612 0.024055 -0.084771
16.26481 10.28310 12.82929 0.119682 0.226040 -0.342417
13.02958 12.87265 0.34345 0.014276 -0.001304 0.083386
15.63587 13.81058 6.90598 0.091507 0.013167 -0.032630
13.11026 15.86276 1.91698 0.043570 -0.033906 0.123393
16.04847 15.98249 4.25314 -0.011887 0.194977 0.151779
12.92950 13.50280 9.01948 0.059785 0.001639 -0.098977
16.03470 13.24150 15.21399 -0.002999 -0.021771 0.052915
13.00717 16.52927 10.76204 0.018312 -0.006785 -0.139904
15.92967 15.85673 13.13419 0.109709 -0.225345 -0.161176
1.86054 17.36365 1.29865 0.018780 0.047105 -0.073508
4.17830 2.73136 5.21241 0.127849 -0.015844 -0.158076
3.26426 5.75851 5.24301 0.088557 -0.042952 -0.135591
17.49829 1.67854 7.58538 -0.325250 -0.377560 -0.425841
1.16532 17.05709 10.27678 0.011257 -0.152887 0.136693
3.43296 5.28736 14.40974 -0.261913 -0.196629 -0.450315
5.78979 4.58179 12.35127 -0.389180 0.068686 -0.029690
2.66622 1.96025 16.18884 0.047223 0.069343 -0.157337
17.32027 0.89679 16.51550 0.024259 0.061528 -0.091542
0.46199 8.18893 0.93413 0.009703 -0.055286 -0.122615
5.39231 10.11127 3.40660 0.015091 0.019145 -0.054006
2.32066 9.80687 3.44943 0.001640 0.005092 -0.067414
4.91964 7.92130 14.71679 -0.038132 -0.110672 -0.058167
2.68710 7.23238 16.69438 -0.001166 -0.074661 -0.138097
0.01020 10.88204 2.02154 0.002561 -0.004462 -0.041052
4.21835 0.28129 6.98759 0.138767 -0.064205 -0.066575
17.23783 13.81793 8.03064 -0.002247 0.014295 0.000241
4.79582 14.66186 14.12172 0.001683 0.038782 0.024005
1.82404 14.00413 10.26937 0.002993 0.002005 0.064257
5.26768 16.92854 11.79676 -0.011744 0.015112 0.064027
10.96027 2.96124 5.34122 -0.003913 0.004414 -0.004105
6.97457 3.04582 1.08259 0.021997 -0.015495 -0.052420
10.16898 6.05361 5.08582 0.010535 -0.006037 -0.004635
8.34039 4.05066 3.68939 0.015068 -0.000142 -0.025573
8.74489 2.42632 7.55292 0.035753 0.000348 0.034614
7.18775 0.35634 9.46384 0.024679 -0.015546 0.071744
11.47395 4.04892 11.19556 0.011717 -0.054560 0.106752
9.15080 2.77757 16.12393 0.018584 0.010655 -0.024988
7.98734 0.36277 0.04247 0.007163 0.003293 -0.006782
8.09306 7.37877 7.53063 0.067561 0.003355 0.028953
5.20414 6.37683 7.73407 0.188855 -0.008116 0.089747
12.25313 11.32613 12.87115 -0.001053 -0.015414 0.020638
7.88582 9.71337 11.41294 0.014234 0.005403 0.022378
7.90588 7.26091 16.85699 -0.021515 -0.011213 -0.031726
11.07224 14.64349 6.08452 0.000803 -0.002552 0.002226
9.97410 0.03402 5.82220 0.004134 -0.004318 -0.003769
11.77786 16.49122 3.26041 0.000034 0.011369 -0.026555
6.65717 11.67689 9.40508 0.011272 -0.008039 0.029056
7.76961 15.24886 11.07941 -0.002522 0.005243 0.030604
8.52712 0.41686 12.29829 0.011978 0.015006 0.033426
13.11181 17.12784 0.26607 0.014678 0.029450 -0.052517
13.20693 2.50512 1.34897 0.013941 -0.006642 -0.070538
17.29335 3.71694 3.19979 0.016083 -0.008903 -0.120659
14.20035 4.69758 3.69278 -0.077637 -0.000463 -0.113265
14.59997 3.56179 12.23787 0.639908 0.062019 -0.092491
13.57708 5.48481 0.72232 0.006826 0.033460 -0.093916
12.29749 8.18631 0.22048 0.028084 0.008606 -0.026718
16.86596 10.59176 5.62457 0.011054 0.023854 -0.031549
16.66958 8.43890 13.63905 0.032483 -0.235373 0.080859
16.67265 11.67449 14.15979 -0.007183 -0.044173 0.027724
14.70756 7.45696 15.98014 0.028891 -0.063172 -0.093417
16.06899 0.34084 4.92526 -0.105669 -0.086219 -0.132361
14.63768 15.41566 3.05858 -0.016736 -0.014353 -0.047194
12.21694 15.07373 9.87203 -0.002625 0.007936 0.039274
15.65466 0.14914 13.86557 -0.000925 0.189090 0.035074
14.35754 15.71932 11.91759 0.002563 0.028442 0.064797
14.30081 12.83268 16.21967 0.006414 0.005593 -0.010536
8.77223 10.39607 2.47225 0.003651 0.005421 0.011836
12.91187 8.54216 10.48161 0.002370 0.011313 -0.005763
8.49467 15.82840 2.99445 0.001893 -0.003613 0.016325
1.32045 2.68577 1.08043 0.021830 -0.155813 -0.259414
5.44581 4.42337 3.31859 0.236871 0.011612 -0.213399
2.71895 4.15019 2.95898 -0.149370 -0.026058 -0.266437
2.89361 2.63574 7.84048 1.357057 -0.623575 -0.818659
3.72928 2.61904 13.46082 -0.286607 0.730289 -0.626092
1.12195 3.42722 9.72736 0.600773 7.693943 10.136288
2.69176 4.49808 11.70258 5.397084 -0.570117 6.268382
1.13271 5.33613 0.95032 -0.003904 0.151494 -0.263701
4.03043 8.42197 5.67301 0.096114 0.262766 -0.256492
3.75157 11.03623 5.64253 0.021074 0.052848 -0.033898
2.52170 7.25791 7.75547 0.699234 0.279219 -0.804529
17.39856 7.13193 7.68295 -0.609455 0.244061 -0.788561
1.18188 6.06412 9.94036 0.180201 -4.232608 5.755748
1.18202 8.73358 9.65531 0.007196 1.515704 0.402465
3.91098 11.84592 13.59643 0.020795 0.034201 0.111958
5.12928 10.31683 11.41789 0.039801 -0.012187 0.049959
2.50977 10.51875 11.46580 0.169683 0.131504 0.208292
17.45087 6.59897 16.12377 -0.106536 -0.124009 -0.311467
3.55980 13.67281 5.25157 0.004386 0.014165 -0.055452
1.28803 14.62748 0.64715 0.003738 -0.005019 -0.058839
4.98905 14.24610 3.11864 0.020569 0.006459 -0.025190
2.40264 15.06164 3.08512 -0.024919 0.039702 -0.069560
2.72172 12.72875 7.62075 0.038886 0.018920 -0.019106
1.06333 11.39589 9.35618 0.001138 0.281705 -0.004195
3.61212 17.43666 14.11103 -0.034138 0.343665 0.127110
2.61877 15.69429 12.36150 0.138488 0.049163 0.177170
2.80206 13.36593 15.83914 0.004880 0.007278 -0.003582
17.47316 13.58140 16.05649 -0.027761 0.004686 -0.027275
9.77890 2.08644 1.42003 -0.014695 -0.003125 -0.047202
11.39452 4.37239 2.86549 0.004561 -0.009116 -0.067488
5.75314 2.47184 7.89843 0.461680 -0.030497 0.212940
10.58974 3.42804 13.84178 0.021558 0.044954 -0.045878
7.29963 3.26088 10.01774 -0.017717 0.209217 0.329009
10.61644 6.04073 13.30213 0.008788 -0.031644 -0.010390
8.72282 4.57356 11.93667 -0.152729 0.001851 0.050151
6.87268 5.85394 1.60201 -0.017270 0.086749 -0.146684
10.69996 7.99849 7.09252 0.000270 -0.001493 0.009361
5.73707 8.23825 1.01832 -0.014319 -0.107260 -0.107589
10.63831 11.82289 5.95914 0.000942 0.004399 0.004208
12.27791 10.92294 3.59234 -0.017857 0.006423 -0.014109
7.82470 9.40720 2.06031 0.000643 -0.025175 -0.033720
7.06519 5.95381 10.03323 0.044902 -0.249179 0.375212
11.49637 8.56646 14.11248 0.041631 -0.117573 0.011345
6.22218 8.54831 9.46647 0.064614 0.053020 0.103257
10.64255 10.88430 15.28736 0.006551 -0.030625 -0.009826
5.27533 6.08183 16.89617 -0.216235 -0.088672 -0.266506
6.19392 10.87447 0.49133 0.004041 0.001158 -0.048754
6.63594 13.50144 0.40946 0.001736 -0.005439 -0.015371
9.20318 15.33527 4.12194 -0.006712 0.001691 -0.017689
8.65369 12.87516 7.41323 0.023895 0.001686 0.005413
5.50203 12.61795 6.94111 0.064839 0.009125 0.029397
10.10713 13.64215 15.27789 0.001103 0.000203 -0.002972
10.67911 0.87544 14.08625 0.021211 0.047924 0.041100
11.60356 17.20368 11.75834 -0.031722 0.040299 0.059932
8.39118 11.91622 16.60701 0.012442 -0.005838 -0.009713
5.50451 12.34914 15.80657 -0.001503 -0.002417 -0.002296
15.73327 3.04046 5.55542 -0.138257 0.095478 -0.256151
16.46394 5.60663 5.46979 -0.174752 -0.122735 -0.303138
14.52808 1.45286 7.47168 -0.425558 -0.017344 0.207106
11.79275 1.56088 7.78873 -0.044864 0.017961 0.056548
13.32704 0.21681 9.64565 -0.041121 -0.033598 0.138130
16.41790 2.90736 14.26355 0.414760 0.832125 -0.838335
13.45171 2.82808 9.57211 -0.019112 0.207816 0.392031
16.10069 5.57752 13.99343 0.457174 -0.895648 -0.966161
0.00005 4.40711 11.99025 -4.613995 -0.806649 7.522216
14.62884 1.73967 16.17160 0.262883 0.096700 -0.248636
11.98368 2.03831 16.06725 0.018997 0.028325 -0.055089
15.63239 8.11986 5.68103 -0.111486 0.217432 -0.246321
17.11138 8.55854 3.60414 0.072336 0.027833 -0.163086
14.79559 9.98222 3.60061 -0.078354 0.072687 -0.094993
14.83832 6.40254 7.47085 -0.244878 -0.014518 0.023410
10.26118 5.42988 7.96507 0.001552 -0.022248 0.071428
13.84142 5.42996 10.14226 -0.023042 -0.162998 0.254672
12.90067 9.94534 10.26834 -0.007884 -0.020804 0.039550
17.40760 10.25314 11.57387 -0.274103 0.045999 0.408452
14.84553 10.65634 12.01294 0.021904 -0.045685 0.090200
12.09160 6.31793 15.56215 0.030159 -0.015615 -0.049525
13.66330 11.76838 1.50243 -0.022952 0.026162 -0.079264
15.90808 14.97969 5.66759 -0.024627 -0.050572 -0.014489
12.90234 14.38066 1.10662 -0.011400 -0.006280 -0.044558
17.39979 15.79595 3.12260 0.098093 -0.031679 -0.140788
14.24465 13.87010 7.98683 -0.090526 -0.007102 0.075095
11.50975 12.98027 8.22780 0.006040 0.010076 0.029330
13.37751 12.44417 10.26044 -0.005197 -0.031776 0.069052
15.76289 14.59733 14.23402 -0.008134 0.073891 0.001125
17.35248 15.55367 12.27553 -0.170448 0.035686 0.187848
11.51892 12.39014 17.28946 -0.016342 -0.008269 -0.023060
2.14782 0.44560 2.19550 -0.011031 0.004761 -0.007605
3.29477 2.11300 4.94555 0.002033 0.010601 0.039754
2.45654 5.15830 5.71352 0.015901 -0.002280 0.064795
17.13665 1.28635 8.55333 0.041655 0.087131 -0.002618
2.05496 17.16622 9.63831 -0.029436 0.038071 0.010828
2.76007 4.61458 14.97268 0.007432 -0.026077 0.052958
5.82104 5.64963 12.65472 -0.016045 -0.001572 0.005858
1.99867 2.73895 15.76239 -0.010078 0.020056 0.038577
16.62702 0.41219 17.23014 -0.002549 0.031292 -0.007757
0.53299 8.97932 0.15968 -0.007833 0.016812 -0.002108
6.28070 9.99466 4.05905 -0.005271 -0.005895 0.003519
2.80484 10.34140 2.60493 -0.002868 0.017934 -0.001152
5.85876 7.59725 14.24081 0.007886 0.017023 0.000821
2.33378 8.07412 16.06384 0.009917 0.008280 0.001773
0.72196 11.42800 1.39191 -0.000984 0.002885 0.005274
4.17641 17.36384 8.00554 -0.010737 0.014171 0.008688
0.17664 14.81238 7.80592 -0.010323 0.007399 0.003390
5.28314 15.15948 14.98492 0.010699 -0.005988 0.011050
1.99589 13.21868 11.02572 0.004039 -0.017949 -0.006382
4.90269 16.46159 10.85427 -0.002077 0.015576 0.018431
11.44760 2.27402 4.62061 0.004527 0.000286 0.008484
6.42001 2.18281 1.50214 0.003397 0.008288 0.011091
11.20298 6.44871 5.00937 0.002023 -0.002452 0.005858
8.23943 2.94593 3.71752 -0.004307 0.001852 0.006742
9.07830 3.43667 7.86385 0.006220 0.003186 -0.006298
8.13841 17.45818 9.05432 0.003985 -0.004521 0.012549
11.09062 4.59939 10.31069 0.048858 0.005529 -0.003963
8.29143 2.75175 15.42638 0.001997 -0.005389 -0.000544
8.82941 17.22992 17.22214 -0.003069 -0.003755 0.003190
7.50840 7.62286 6.62087 -0.014554 -0.014785 0.023574
4.60511 5.74329 8.41778 -0.064559 0.024073 -0.037606
12.92668 11.75537 13.63632 -0.001680 0.001559 0.006427
8.02117 10.55523 12.10517 0.002036 0.000069 0.006375
8.67556 7.71636 17.49570 -0.013120 -0.000911 0.009559
11.47875 15.24589 6.91703 0.002186 0.001757 0.000338
9.35972 16.97903 6.56192 -0.001399 -0.000793 0.000461
11.03713 17.07922 2.67792 -0.005140 0.001855 0.007121
7.42775 12.08916 10.09180 0.002286 0.005565 0.006429
7.92017 14.83580 12.09082 0.002226 -0.007309 0.005037
8.50905 1.48718 11.99359 0.002452 -0.004007 -0.005558
13.83892 16.58967 17.12637 -0.002073 -0.012015 -0.000619
14.18064 2.16404 1.76300 -0.004204 0.005275 0.012077
0.22637 2.85420 3.74771 0.000776 0.024535 0.015263
13.55731 4.46328 4.56374 0.011351 -0.004291 -0.005138
13.93368 3.48067 13.12140 0.192168 0.098137 0.066827
14.29477 4.78199 0.25086 0.006381 -0.002428 0.013950
12.05112 9.01860 17.04503 -0.003700 0.006572 0.006898
16.27694 10.80430 6.52497 0.004184 -0.011698 0.001189
16.72250 7.84092 12.70809 0.002536 0.064338 -0.063866
0.08131 12.14367 13.72814 -0.007254 -0.016215 -0.009905
15.18747 8.06134 16.77823 0.024020 -0.026673 -0.010790
15.33129 0.80027 4.23469 -0.001916 -0.018098 -0.045734
15.22283 14.74953 2.39790 -0.007734 -0.011787 0.001024
11.52991 14.60593 10.60396 -0.004608 -0.001062 0.004453
14.54913 0.08259 13.94141 0.007419 0.010733 0.014205
13.64918 15.17179 12.57877 0.000254 -0.002572 0.005863
14.26990 11.73639 16.04700 0.000759 0.000869 0.002505
2.83011 17.00291 0.89614 0.005684 -0.001775 0.006501
5.01762 2.19884 4.72481 0.008484 -0.012004 -0.049532
2.72197 6.40768 4.52960 0.005368 0.016450 0.004189
0.61592 0.85326 7.17988 -0.043851 -0.092939 -0.047721
1.05804 0.47662 10.87149 0.005058 0.037405 -0.095219
2.72869 6.02833 13.97220 0.003087 0.138053 0.103762
6.27365 4.07474 13.21275 -0.132434 -0.036994 0.008419
3.39789 2.54642 16.78232 -0.005405 -0.000289 0.011969
0.26647 0.03376 15.97352 -0.012600 0.001693 -0.006654
16.86896 8.04953 1.06168 0.006007 -0.005764 0.007652
5.26691 11.21282 3.35522 0.007948 0.001548 -0.004074
1.79651 10.63408 3.97172 -0.009240 -0.006044 0.001481
4.24367 8.25477 13.91418 0.008804 0.027855 -0.008469
3.20146 7.72932 0.04071 0.013002 -0.032456 -0.011891
17.29565 11.52683 2.88643 0.003582 -0.017754 0.005013
5.09458 17.34903 6.48077 0.012054 -0.050959 -0.002767
16.80060 13.95067 9.04167 0.002656 0.000940 0.004461
5.65314 14.35380 13.49055 -0.004741 0.006752 0.000505
2.85103 14.37043 10.06567 -0.002999 0.013010 0.004658
4.88020 0.46410 11.72901 -0.001218 -0.011411 -0.029626
11.82432 3.49932 5.78478 0.002409 -0.003387 0.000208
6.33916 3.40343 0.25044 -0.002880 -0.000736 0.002503
9.59394 6.71839 4.41200 -0.004294 0.000850 0.009779
7.91802 4.38505 4.66043 -0.006594 -0.000336 -0.008141
8.23543 2.62518 6.58554 -0.013418 -0.005013 0.022482
6.41431 17.32071 8.88054 -0.008071 0.021099 0.002577
11.14557 3.00954 10.98712 0.003094 0.007028 0.001627
9.36027 3.86210 16.23230 0.000188 0.001888 0.009915
7.53966 17.41529 0.94072 0.003392 0.005077 0.003240
8.48774 8.36338 7.84778 0.009798 0.002995 -0.002394
5.72768 5.64505 7.08615 0.022754 -0.012589 0.009304
11.53162 12.14308 12.66419 -0.001516 -0.003636 0.004301
7.77778 8.79967 12.01567 0.004058 -0.002093 0.005934
7.67148 7.97660 16.05599 0.010371 0.008435 0.001626
11.96712 14.11387 5.69832 0.002061 0.000939 0.006458
9.20674 0.45352 5.13285 -0.002447 -0.000204 0.008325
12.42086 17.27854 3.71166 0.002886 -0.005246 0.005307
5.72984 12.20671 9.71226 -0.001248 -0.003223 0.002007
7.06651 14.59485 10.54611 0.000499 0.003952 0.001908
8.18003 0.43236 13.34917 0.006670 -0.002907 0.011336
12.13433 16.79403 17.35819 0.002226 0.005094 -0.003752
12.47800 1.85419 1.86970 0.001997 -0.001712 -0.005951
16.61133 3.22326 2.47663 -0.006558 -0.016582 -0.003760
14.18380 5.80672 3.64923 -0.001028 0.002500 0.007424
14.87276 2.50739 12.03337 -0.015743 -0.015326 -0.011514
14.23243 6.19147 1.27631 -0.002696 -0.004704 0.011831
12.93327 8.58137 1.02753 -0.003908 -0.001275 0.004672
0.31818 10.15222 5.96061 -0.013432 -0.012815 0.012206
0.23893 8.66414 13.84372 -0.005944 0.006646 0.007943
17.08408 11.06555 14.99139 0.006425 0.012849 0.020992
14.24371 8.22849 15.33189 0.015069 -0.007579 -0.004996
17.03243 0.72423 4.52831 -0.003240 0.000404 0.034819
14.06257 14.70897 3.69175 -0.006247 -0.002576 -0.002545
11.55248 15.52990 9.11606 0.006107 0.002441 0.005524
15.79992 0.71375 12.92180 -0.011413 -0.038097 -0.033438
14.66771 14.92743 11.20480 0.014789 0.015541 0.009968
13.59723 13.22883 15.45681 -0.000664 -0.002589 0.000308
0.28893 16.96969 9.61776 0.017972 0.038546 0.001881
5.14861 8.79609 15.34428 -0.015996 -0.030285 0.015622
16.57887 10.76457 1.44815 -0.007180 0.006265 0.003528
3.32280 17.43531 6.45000 -0.000484 0.026930 0.018438
7.22345 0.33037 16.74849 0.000237 -0.006942 0.001256
8.80270 9.61454 10.81195 -0.001901 -0.001321 0.003470
8.32656 6.35754 16.39008 0.007066 -0.003039 0.004184
8.73549 15.20213 10.55252 -0.003132 0.003634 0.002747
11.35757 7.84337 0.68199 0.008762 -0.007280 0.000964
17.07689 11.54135 5.11708 0.001476 0.015941 0.005444
1.05898 4.30352 7.32607 0.031710 -0.166731 -0.487524
4.03509 12.56543 11.20951 0.017368 0.006457 0.017728
2.98241 12.61908 2.99845 -0.000412 0.002318 -0.006370
13.02951 6.77394 13.23542 0.017483 -0.014963 -0.002774
9.81405 10.04557 13.02717 0.001381 -0.011111 0.008193
14.38062 12.44509 3.83928 -0.007436 0.004505 -0.005938
15.29130 12.60070 6.14349 -0.011888 -0.001442 0.007644
1.51212 12.17674 0.04632 -0.002594 0.000716 -0.002115
5.20365 1.54821 15.21091 -0.030530 0.069563 -0.059276
6.79297 14.20253 8.32851 0.004999 -0.000826 0.010807
11.61515 7.96197 6.76612 0.015814 -0.001117 0.003419
10.25461 10.96603 6.21744 0.000564 -0.001501 0.005312
11.90891 11.26603 4.43245 0.004318 -0.001599 0.005844
8.53540 10.78259 3.48001 -0.000118 -0.003225 -0.001612
9.76681 9.93079 2.50215 0.000215 0.000803 0.006607
8.80784 11.23977 1.76494 -0.000575 0.000594 0.004619
14.97448 6.01037 8.35394 0.158733 0.015572 -0.093978
10.93413 4.83383 7.59381 0.002490 0.002995 -0.007437
13.14865 5.92816 9.67432 0.023959 0.006902 -0.015001
12.65000 8.06887 9.52187 0.009559 0.002439 0.005974
13.90414 8.18239 10.79823 0.007261 0.004987 -0.011539
12.16474 8.24325 11.23577 -0.014016 0.004746 0.010222
5.27827 14.04824 2.20496 -0.007460 -0.001038 0.018689
10.20084 2.92381 1.69633 0.003068 0.010168 0.023472
7.46833 14.00510 0.41146 0.000820 -0.001265 0.011137
7.48179 15.39929 3.01468 -0.001583 0.001354 0.006508
8.41010 16.93048 3.00754 -0.001733 0.001211 0.006905
8.99741 15.53505 2.05618 0.004525 -0.003029 0.000202
-----------------------------------------------------------------------------------
total drift: 0.000000 -0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 7 DIRECTION 3 : -0.206 -0.278 4.387
rigid augmentation : 0.000 0.000 0.174
ionic contribution : 0.000 0.000 4.000
Berry contribution : -0.206 -0.278 0.213
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 22/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 25( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258861; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259043; 1190.000000 electrons
Band energy:-0.912024E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01038981
-V(xc)+E(xc) XCENC = 0.02011602
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.02797135
---------------------------------------------------
free energy TOTEN = -0.01824514 eV
energy without entropy = -0.01824514
----------------------------------------- Iteration 25( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258861; 1190.000000 electrons
Band energy:-0.912004E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259043; 1190.000000 electrons
Band energy:-0.912024E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.82505E+00 rms(broyden)= 0.82426E+00
rms(prec ) = 0.90297E+00
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01038981
-V(xc)+E(xc) XCENC = 0.02011602
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01270180
---------------------------------------------------
free energy TOTEN = -0.00297559 eV
energy without entropy = -0.00297559
----------------------------------------- Iteration 25( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258821; 1190.000000 electrons
Band energy:-0.912003E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259084; 1190.000000 electrons
Band energy:-0.912025E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.51396E+00 rms(broyden)= 0.51388E+00
rms(prec ) = 0.56712E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.5091
2.5091
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00954585
-V(xc)+E(xc) XCENC = 0.01737981
PAW double counting = 0.01626750 -0.01626889
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01282738
---------------------------------------------------
free energy TOTEN = -0.00499481 eV
energy without entropy = -0.00499481
----------------------------------------- Iteration 25( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258751; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259154; 1190.000000 electrons
Band energy:-0.912028E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10078E+00 rms(broyden)= 0.10061E+00
rms(prec ) = 0.12676E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9140
1.3960 2.4320
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00861425
-V(xc)+E(xc) XCENC = 0.01533173
PAW double counting = 0.10795587 -0.10796387
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01317894
---------------------------------------------------
free energy TOTEN = -0.00646947 eV
energy without entropy = -0.00646947
----------------------------------------- Iteration 25( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258736; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259168; 1190.000000 electrons
Band energy:-0.912028E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.51790E-01 rms(broyden)= 0.51759E-01
rms(prec ) = 0.69735E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8164
2.6752 1.9633 0.8108
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00839180
-V(xc)+E(xc) XCENC = 0.01504407
PAW double counting = 0.11219479 -0.11220204
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01335886
---------------------------------------------------
free energy TOTEN = -0.00671383 eV
energy without entropy = -0.00671383
----------------------------------------- Iteration 25( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258721; 1190.000000 electrons
Band energy:-0.912000E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259183; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.24436E-01 rms(broyden)= 0.24419E-01
rms(prec ) = 0.35376E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7914
2.8134 2.1680 1.3137 0.8707
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00829342
-V(xc)+E(xc) XCENC = 0.01498079
PAW double counting = 0.11808790 -0.11809520
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01343402
---------------------------------------------------
free energy TOTEN = -0.00675395 eV
energy without entropy = -0.00675395
----------------------------------------- Iteration 25( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258710; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259194; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.11203E-01 rms(broyden)= 0.11193E-01
rms(prec ) = 0.17609E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8186
3.2496 2.4260 1.5546 0.9314 0.9314
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00829704
-V(xc)+E(xc) XCENC = 0.01504820
PAW double counting = 0.11710272 -0.11711001
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01342863
---------------------------------------------------
free energy TOTEN = -0.00668476 eV
energy without entropy = -0.00668476
----------------------------------------- Iteration 25( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258701; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259203; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.55078E-02 rms(broyden)= 0.55024E-02
rms(prec ) = 0.84555E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8710
3.5833 2.5593 1.9871 1.2302 0.9329 0.9329
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00828547
-V(xc)+E(xc) XCENC = 0.01508808
PAW double counting = 0.11645680 -0.11646403
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01343684
---------------------------------------------------
free energy TOTEN = -0.00664145 eV
energy without entropy = -0.00664145
----------------------------------------- Iteration 25( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258696; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259208; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.26743E-02 rms(broyden)= 0.26698E-02
rms(prec ) = 0.37316E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9623
4.1690 2.6260 2.2416 1.7382 0.8722 1.0444 1.0444
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00828222
-V(xc)+E(xc) XCENC = 0.01510758
PAW double counting = 0.11605142 -0.11605866
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01344240
---------------------------------------------------
free energy TOTEN = -0.00662427 eV
energy without entropy = -0.00662427
----------------------------------------- Iteration 25( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258693; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259211; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.87925E-03 rms(broyden)= 0.87656E-03
rms(prec ) = 0.13576E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9458
4.5418 2.8571 2.4295 1.7461 1.1596 0.9865 0.9865 0.8595
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00827962
-V(xc)+E(xc) XCENC = 0.01510517
PAW double counting = 0.11614744 -0.11615468
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01344434
---------------------------------------------------
free energy TOTEN = -0.00662603 eV
energy without entropy = -0.00662603
----------------------------------------- Iteration 25( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258692; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259212; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.50052E-03 rms(broyden)= 0.49969E-03
rms(prec ) = 0.74044E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9699
4.6649 3.0042 2.4437 2.0220 1.6617 1.0779 1.0779 0.9127 0.8645
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00827975
-V(xc)+E(xc) XCENC = 0.01510499
PAW double counting = 0.11616363 -0.11617087
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01344447
---------------------------------------------------
free energy TOTEN = -0.00662648 eV
energy without entropy = -0.00662648
----------------------------------------- Iteration 25( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258692; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259212; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.18675E-03 rms(broyden)= 0.18639E-03
rms(prec ) = 0.31172E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9763
4.8409 3.2700 2.6674 2.2583 1.7124 1.1072 1.1072 1.0394 0.9144 0.8460
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00827960
-V(xc)+E(xc) XCENC = 0.01510359
PAW double counting = 0.11617677 -0.11618399
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01344576
---------------------------------------------------
free energy TOTEN = -0.00662900 eV
energy without entropy = -0.00662900
----------------------------------------- Iteration 25( 13) ---------------------------------------
BZINTS: Fermi energy: 0.258692; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259213; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.97954E-04 rms(broyden)= 0.97801E-04
rms(prec ) = 0.15957E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9923
4.9452 3.6698 2.7222 2.3746 1.8028 1.5739 1.0722 1.0722 0.9711 0.8837
0.8279
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00827972
-V(xc)+E(xc) XCENC = 0.01510320
PAW double counting = 0.11618593 -0.11619319
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01344308
---------------------------------------------------
free energy TOTEN = -0.00662686 eV
energy without entropy = -0.00662686
----------------------------------------- Iteration 25( 14) ---------------------------------------
BZINTS: Fermi energy: 0.258692; 1190.000000 electrons
Band energy:-0.911999E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.259213; 1190.000000 electrons
Band energy:-0.912029E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54337E-04 rms(broyden)= 0.54253E-04
rms(prec ) = 0.82057E-04
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9707
5.0215 3.8483 2.7621 2.5179 2.0273 1.6486 1.0989 1.0989 0.9857 0.9857
0.8707 0.7826
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00827980
-V(xc)+E(xc) XCENC = 0.01510318
PAW double counting = 0.11618031 -0.11618754
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01344522
---------------------------------------------------
free energy TOTEN = -0.00662905 eV
energy without entropy = -0.00662905
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1079 0.00000
5 0.3995 0.00000
6 0.2254 0.00000
7 -0.0267 0.00000
8 0.0248 0.00000
9 0.8157 0.00000
10 0.4096 0.00000
11 -0.3704 0.00000
12 0.0896 0.00000
13 -0.0155 0.00000
14 -0.0436 0.00000
15 -0.7337 0.00000
16 0.1523 0.00000
17 0.0550 0.00000
18 0.2702 0.00000
19 0.0160 0.00000
20 -0.0553 0.00000
21 -0.1291 0.00000
22 0.1039 0.00000
23 0.0710 0.00000
24 0.1388 0.00000
25 0.1983 0.00000
26 0.0748 0.00000
27 0.0736 0.00000
28 0.0909 0.00000
29 -0.0723 0.00000
30 0.0238 0.00000
31 0.5224 0.00000
32 0.3746 0.00000
33 0.0437 0.00000
34 0.0548 0.00000
35 0.0315 0.00000
36 0.1958 0.00000
37 -0.1085 0.00000
38 0.1651 0.00000
39 0.3532 0.00000
40 0.0041 0.00000
41 0.0425 0.00000
42 -0.1032 0.00000
43 0.0549 0.00000
44 0.0524 0.00000
45 0.4860 0.00000
46 0.0786 0.00000
47 0.0277 0.00000
48 0.2674 0.00000
49 -0.0376 0.00000
50 0.2522 0.00000
51 0.1267 0.00000
52 0.1856 0.00000
53 -0.0047 0.00000
54 0.0952 0.00000
55 0.0221 0.00000
56 0.5580 0.00000
57 -0.0361 0.00000
58 -0.0372 0.00000
59 0.3263 0.00000
60 0.3718 0.00000
61 -0.2638 0.00000
62 0.0273 0.00000
63 0.4771 0.00000
64 0.6823 0.00000
65 0.1263 0.00000
66 0.0546 0.00000
67 0.3469 0.00000
68 0.1133 0.00000
69 0.0350 0.00000
70 0.0342 0.00000
71 0.1149 0.00000
72 0.0554 0.00000
73 0.0558 0.00000
74 0.0207 0.00000
75 0.0255 0.00000
76 0.0424 0.00000
77 0.0353 0.00000
78 0.0588 0.00000
79 0.1101 0.00000
80 -0.0199 0.00000
81 0.1008 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2470 0.00000
89 0.0014 0.00000
90 -0.1094 0.00000
91 -0.1448 0.00000
92 -0.1576 0.00000
93 0.0271 0.00000
94 0.0048 0.00000
95 0.0322 0.00000
96 -0.0486 0.00000
97 -0.0538 0.00000
98 0.0113 0.00000
99 0.0051 0.00000
100 -0.2643 0.00000
101 -0.0332 0.00000
102 0.0427 0.00000
103 -0.0744 0.00000
104 -0.0174 0.00000
105 -0.0627 0.00000
106 -0.0540 0.00000
107 -0.5422 0.00000
108 0.0553 0.00000
109 -0.0068 0.00000
110 -0.4445 0.00000
111 -0.4885 0.00000
112 -0.0308 0.00000
113 0.0536 0.00000
114 -0.1463 0.00000
115 -0.1210 0.00000
116 -0.6374 0.00000
117 -0.3093 0.00000
118 -0.0122 0.00000
119 0.0484 0.00000
120 0.0480 0.00000
121 0.0493 0.00000
122 -0.0937 0.00000
123 0.0613 0.00000
124 0.0632 0.00000
125 -0.0720 0.00000
126 -0.0690 0.00000
127 -0.0744 0.00000
128 -0.1631 0.00000
129 0.0685 0.00000
130 0.0070 0.00000
131 0.0839 0.00000
132 -0.0636 0.00000
133 0.0418 0.00000
134 -0.1308 0.00000
135 -0.0061 0.00000
136 -0.0091 0.00000
137 0.2451 0.00000
138 -0.0069 0.00000
139 -0.0082 0.00000
140 0.0369 0.00000
141 -0.0672 0.00000
142 0.0399 0.00000
143 0.0182 0.00000
144 0.0563 0.00000
145 0.0636 0.00000
146 0.0626 0.00000
147 0.0266 0.00000
148 0.0390 0.00000
149 0.4390 0.00000
150 -0.0641 0.00000
151 0.4240 0.00000
152 -0.2796 0.00000
153 0.1136 0.00000
154 0.1710 0.00000
155 0.1950 0.00000
156 -0.2206 0.00000
157 -0.0150 0.00000
158 0.1411 0.00000
159 0.0929 0.00000
160 0.0202 0.00000
161 -0.0721 0.00000
162 0.1492 0.00000
163 0.0618 0.00000
164 0.0824 0.00000
165 0.0406 0.00000
166 0.1456 0.00000
167 -0.0239 0.00000
168 0.0056 0.00000
169 0.0781 0.00000
170 0.1213 0.00000
171 0.0185 0.00000
172 0.0609 0.00000
173 0.1575 0.00000
174 0.0370 0.00000
175 -0.0029 0.00000
176 0.0243 0.00000
177 0.0985 0.00000
178 0.0230 0.00000
179 0.0582 0.00000
180 0.1108 0.00000
181 0.0942 0.00000
182 -0.0125 0.00000
183 0.0191 0.00000
184 0.1038 0.00000
185 -0.0778 0.00000
186 -0.0045 0.00000
187 0.2046 0.00000
188 0.0271 0.00000
189 0.0153 0.00000
190 -0.0550 0.00000
191 0.1321 0.00000
192 0.1354 0.00000
193 0.0825 0.00000
194 0.0898 0.00000
195 0.0974 0.00000
196 0.0147 0.00000
197 0.0030 0.00000
198 0.0252 0.00000
199 -0.0632 0.00000
200 0.0622 0.00000
201 -0.0189 0.00000
202 0.1273 0.00000
203 0.3903 0.00000
204 0.1182 0.00000
205 -0.1136 0.00000
206 0.1322 0.00000
207 0.1276 0.00000
208 0.2172 0.00000
209 0.1155 0.00000
210 0.0146 0.00000
211 -0.0582 0.00000
212 0.1840 0.00000
213 -0.0910 0.00000
214 0.2221 0.00000
215 0.3635 0.00000
216 0.1561 0.00000
217 0.2785 0.00000
218 0.1084 0.00000
219 0.0312 0.00000
220 0.1695 0.00000
221 0.0873 0.00000
222 0.0080 0.00000
223 0.1085 0.00000
224 0.3057 0.00000
225 0.1154 0.00000
226 0.0988 0.00000
227 0.0019 0.00000
228 -0.0006 0.00000
229 0.0855 0.00000
230 0.0357 0.00000
231 -0.2561 0.00000
232 -0.0038 0.00000
233 -0.0167 0.00000
234 -0.0421 0.00000
235 -0.1236 0.00000
236 -0.0641 0.00000
237 -0.0951 0.00000
238 -0.0506 0.00000
239 -0.0271 0.00000
240 -0.1043 0.00000
241 -0.1000 0.00000
242 -0.0596 0.00000
243 0.0118 0.00000
244 0.0081 0.00000
245 0.0308 0.00000
246 0.0115 0.00000
247 0.0377 0.00000
248 0.0560 0.00000
249 -0.0054 0.00000
250 -0.0069 0.00000
251 0.1121 0.00000
252 0.0935 0.00000
253 0.0057 0.00000
254 0.0062 0.00000
255 -0.0675 0.00000
256 -0.0490 0.00000
257 0.0166 0.00000
258 0.0913 0.00000
259 0.0134 0.00000
260 -0.0202 0.00000
261 0.0014 0.00000
262 -0.0031 0.00000
263 -0.0108 0.00000
264 -0.0043 0.00000
265 -0.0033 0.00000
266 -0.1461 0.00000
267 0.0019 0.00000
268 -0.0592 0.00000
269 -0.0771 0.00000
270 -0.0144 0.00000
271 -0.0052 0.00000
272 -0.0254 0.00000
273 -0.0033 0.00000
274 -0.0745 0.00000
275 -0.0905 0.00000
276 -0.0538 0.00000
277 -0.0814 0.00000
278 -0.0145 0.00000
279 0.0111 0.00000
280 -0.0065 0.00000
281 -0.0581 0.00000
282 -0.2616 0.00000
283 -0.0226 0.00000
284 -0.1682 0.00000
285 -0.0274 0.00000
286 -0.0534 0.00000
287 -0.1105 0.00000
288 -0.4279 0.00000
289 0.0404 0.00000
290 -0.0173 0.00000
291 -0.1681 0.00000
292 0.0320 0.00000
293 -0.0164 0.00000
294 -0.9312 0.00000
295 0.0005 0.00000
296 -0.0773 0.00000
297 -0.0931 0.00000
298 -0.0408 0.00000
299 -0.1323 0.00000
300 -0.0502 0.00000
301 -0.0288 0.00000
302 -0.1780 0.00000
303 -0.0283 0.00000
304 -0.0252 0.00000
305 0.0317 0.00000
306 0.0317 0.00000
307 -0.1522 0.00000
308 -0.0377 0.00000
309 -0.1026 0.00000
310 0.0337 0.00000
311 -0.0040 0.00000
312 0.0504 0.00000
313 -0.0199 0.00000
314 -0.0410 0.00000
315 0.0075 0.00000
316 0.0310 0.00000
317 -0.0279 0.00000
318 0.0330 0.00000
319 0.0074 0.00000
320 -0.0357 0.00000
321 0.0546 0.00000
322 0.0365 0.00000
323 0.0605 0.00000
324 0.0636 0.00000
325 0.1087 0.00000
326 0.0373 0.00000
327 -0.0042 0.00000
328 0.0326 0.00000
329 -0.0283 0.00000
330 0.1534 0.00000
331 -0.0049 0.00000
332 0.0540 0.00000
333 0.0328 0.00000
334 0.0289 0.00000
335 -0.0367 0.00000
336 0.0448 0.00000
337 0.1233 0.00000
338 -0.0232 0.00000
339 -0.0431 0.00000
340 0.0031 0.00000
341 -0.0332 0.00000
342 0.0399 0.00000
343 0.1532 0.00000
344 0.0134 0.00000
345 0.0213 0.00000
346 0.0837 0.00000
347 -0.0018 0.00000
348 0.0085 0.00000
349 0.0462 0.00000
350 -0.0365 0.00000
351 0.0756 0.00000
352 -0.0332 0.00000
353 0.0072 0.00000
354 0.0348 0.00000
355 0.0139 0.00000
356 0.0203 0.00000
357 0.0108 0.00000
358 0.0295 0.00000
359 0.0819 0.00000
360 0.0021 0.00000
361 -0.0207 0.00000
362 0.0302 0.00000
363 0.0894 0.00000
364 0.0380 0.00000
365 0.0394 0.00000
366 -0.0385 0.00000
367 0.1568 0.00000
368 0.0046 0.00000
369 0.0165 0.00000
370 0.0026 0.00000
371 0.0225 0.00000
372 0.1092 0.00000
373 0.0999 0.00000
374 -0.0163 0.00000
375 0.0185 0.00000
376 0.1039 0.00000
377 -0.0453 0.00000
378 0.0904 0.00000
379 0.0402 0.00000
380 0.0220 0.00000
381 -0.0080 0.00000
382 0.0727 0.00000
383 0.1176 0.00000
384 0.0395 0.00000
385 0.1879 0.00000
386 0.0889 0.00000
387 0.1112 0.00000
388 0.0550 0.00000
389 0.0983 0.00000
390 0.1132 0.00000
391 -0.0159 0.00000
392 0.0843 0.00000
393 -0.0956 0.00000
394 -0.0088 0.00000
395 0.1440 0.00000
396 0.0593 0.00000
397 0.0900 0.00000
398 -0.0034 0.00000
399 0.0185 0.00000
400 -0.0093 0.00000
401 -0.0976 0.00000
402 0.0906 0.00000
403 0.1436 0.00000
404 0.1067 0.00000
405 0.0362 0.00000
406 0.1711 0.00000
407 0.0833 0.00000
408 0.2002 0.00000
409 0.0028 0.00000
410 0.1761 0.00000
411 0.0262 0.00000
412 0.4022 0.00000
413 0.1195 0.00000
414 0.0898 0.00000
415 -0.0338 0.00000
416 0.0555 0.00000
417 0.0446 0.00000
418 0.1055 0.00000
419 0.0596 0.00000
420 0.0141 0.00000
421 -0.0091 0.00000
422 0.0644 0.00000
423 0.0393 0.00000
424 0.0254 0.00000
425 -0.0045 0.00000
426 -0.0528 0.00000
427 -0.0181 0.00000
428 -0.0016 0.00000
429 0.0538 0.00000
430 0.0087 0.00000
431 0.0391 0.00000
432 -0.0104 0.00000
433 0.1103 0.00000
434 0.0356 0.00000
435 -0.0099 0.00000
436 0.0021 0.00000
437 0.0775 0.00000
438 0.0054 0.00000
439 -0.0292 0.00000
440 -0.0004 0.00000
441 0.0289 0.00000
442 -0.0345 0.00000
443 0.1281 0.00000
444 -0.0438 0.00000
445 -0.0397 0.00000
446 0.0163 0.00000
447 -0.0175 0.00000
448 0.0981 0.00000
449 0.0045 0.00000
450 0.0356 0.00000
451 0.0365 0.00000
452 0.1298 0.00000
453 0.0455 0.00000
454 0.0462 0.00000
455 0.0600 0.00000
456 0.0184 0.00000
457 0.0907 0.00000
458 0.0178 0.00000
459 0.0433 0.00000
460 -0.0333 0.00000
461 0.0462 0.00000
462 0.0676 0.00000
463 -0.1103 0.00000
464 0.0573 0.00000
465 0.0044 0.00000
466 -0.0033 0.00000
467 0.0450 0.00000
468 -0.0492 0.00000
469 0.0174 0.00000
470 -0.0358 0.00000
471 -0.0733 0.00000
472 0.1235 0.00000
473 0.0249 0.00000
474 0.0704 0.00000
475 0.0468 0.00000
476 0.0163 0.00000
477 -0.0053 0.00000
478 0.0557 0.00000
479 -0.0526 0.00000
480 0.0778 0.00000
481 0.0203 0.00000
482 0.0900 0.00000
483 0.0198 0.00000
484 -0.0244 0.00000
485 -0.0098 0.00000
486 0.0458 0.00000
487 0.0714 0.00000
488 0.0397 0.00000
489 0.1108 0.00000
490 -0.0482 0.00000
491 0.0327 0.00000
492 0.0529 0.00000
493 0.1261 0.00000
494 -0.0433 0.00000
495 -0.0337 0.00000
496 0.0879 0.00000
497 -0.1100 0.00000
498 -0.0238 0.00000
499 -0.1614 0.00000
500 0.1073 0.00000
501 0.0093 0.00000
502 -0.0366 0.00000
503 -0.0170 0.00000
504 -0.0623 0.00000
505 0.0360 0.00000
506 -0.0069 0.00000
507 -0.0212 0.00000
508 0.1401 0.00000
509 0.0295 0.00000
510 0.1323 0.00000
511 0.0792 0.00000
512 -0.0856 0.00000
513 0.0415 0.00000
514 0.0471 0.00000
515 -0.0604 0.00000
516 0.0565 0.00000
517 -0.0316 0.00000
518 0.0373 0.00000
519 -0.0256 0.00000
520 -0.0239 0.00000
521 0.0271 0.00000
522 0.0302 0.00000
523 0.0978 0.00000
524 -0.0472 0.00000
525 0.0678 0.00000
526 0.1147 0.00000
527 0.0621 0.00000
528 0.1862 0.00000
529 0.0328 0.00000
530 0.0829 0.00000
531 0.0236 0.00000
532 -0.0011 0.00000
533 0.0062 0.00000
534 0.0006 0.00000
535 0.0182 0.00000
536 -0.0542 0.00000
537 0.0817 0.00000
538 0.1060 0.00000
539 0.0805 0.00000
540 0.0325 0.00000
541 0.0304 0.00000
542 -0.2090 0.00000
543 0.0162 0.00000
544 0.0659 0.00000
545 0.0199 0.00000
546 0.0237 0.00000
547 0.0378 0.00000
548 0.0026 0.00000
549 -0.2170 0.00000
550 -0.0414 0.00000
551 0.0044 0.00000
552 0.0602 0.00000
553 0.0486 0.00000
554 0.0153 0.00000
555 0.0251 0.00000
556 -0.0892 0.00000
557 0.0024 0.00000
558 -0.0073 0.00000
559 0.0230 0.00000
560 -0.0043 0.00000
561 0.0195 0.00000
562 -0.0091 0.00000
563 0.0303 0.00000
564 0.0038 0.00000
565 0.0727 0.00000
566 0.0311 0.00000
567 -0.1110 0.00000
568 0.0127 0.00000
569 0.1335 0.00000
570 0.0412 0.00000
571 -0.0235 0.00000
572 0.0470 0.00000
573 0.2100 0.00000
574 -0.0079 0.00000
575 0.0152 0.00000
576 0.0432 0.00000
577 0.0307 0.00000
578 0.0183 0.00000
579 0.0131 0.00000
580 0.0281 0.00000
581 0.0334 0.00000
582 0.0135 0.00000
583 0.0251 0.00000
584 0.0003 0.00000
585 0.0050 0.00000
586 0.0168 0.00000
587 0.0342 0.00000
588 0.0676 0.00000
589 -0.0561 0.00000
590 0.0356 0.00000
591 -0.0183 0.00000
592 0.0039 0.00000
593 -0.0200 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1715 0.00000
597 -0.1818 0.00000
598 -0.0047 0.00000
599 0.0355 0.00000
600 0.0542 0.00000
601 0.0323 0.00000
602 0.1611 0.00000
603 -0.1868 0.00000
604 0.0253 0.00000
605 0.0674 0.00000
606 -0.2038 0.00000
607 -0.0176 0.00000
608 -0.0038 0.00000
609 -0.0621 0.00000
610 0.0831 0.00000
611 -0.0673 0.00000
612 -0.0021 0.00000
613 -0.0506 0.00000
614 0.0339 0.00000
615 -0.0094 0.00000
616 -0.0178 0.00000
617 -0.1219 0.00000
618 -0.0519 0.00000
619 0.0092 0.00000
620 0.0022 0.00000
621 0.0351 0.00000
622 -0.0613 0.00000
623 -0.0320 0.00000
624 -0.0266 0.00000
625 -0.0093 0.00000
626 -0.0392 0.00000
627 -0.1224 0.00000
628 0.0005 0.00000
629 0.0036 0.00000
630 -0.0117 0.00000
631 -0.0167 0.00000
632 -0.0427 0.00000
633 -0.0766 0.00000
634 -0.0588 0.00000
635 -0.0124 0.00000
636 -0.0104 0.00000
637 -0.0362 0.00000
638 -0.0840 0.00000
639 -0.0186 0.00000
640 -0.0634 0.00000
641 -0.0864 0.00000
642 -0.0320 0.00000
643 -0.0555 0.00000
644 -0.0778 0.00000
645 -0.0427 0.00000
646 -0.0585 0.00000
647 -0.0405 0.00000
648 -0.0574 0.00000
649 -0.1558 0.00000
650 -0.0429 0.00000
651 -0.0074 0.00000
652 -0.0038 0.00000
653 -0.0603 0.00000
654 -0.0122 0.00000
655 -0.1140 0.00000
656 0.0259 0.00000
657 -0.0249 0.00000
658 -0.0577 0.00000
659 -0.0178 0.00000
660 -0.0734 0.00000
661 -0.0377 0.00000
662 -0.0097 0.00000
663 0.0215 0.00000
664 0.0332 0.00000
665 0.0077 0.00000
666 0.0202 0.00000
667 -0.0321 0.00000
668 -0.1284 0.00000
669 -0.1248 0.00000
670 -0.0057 0.00000
671 -0.0165 0.00000
672 -0.0335 0.00000
673 -0.0191 0.00000
674 -0.0053 0.00000
675 -0.0402 0.00000
676 -0.0648 0.00000
677 -0.0347 0.00000
678 -0.0032 0.00000
679 -0.1283 0.00000
680 0.0055 0.00000
681 -0.0510 0.00000
682 0.0453 0.00000
683 -0.0435 0.00000
684 -0.0395 0.00000
685 -0.0158 0.00000
686 0.0062 0.00000
687 0.0200 0.00000
688 -0.0247 0.00000
689 -0.0186 0.00000
690 0.0006 0.00000
691 -0.0746 0.00000
692 -0.0260 0.00000
693 0.0022 0.00000
694 0.0297 0.00000
695 -0.0319 0.00000
696 0.0474 0.00000
697 0.0225 0.00000
698 0.0478 0.00000
699 -0.0442 0.00000
700 0.0024 0.00000
701 -0.0241 0.00000
702 -0.0158 0.00000
703 0.0025 0.00000
704 0.0344 0.00000
705 -0.0262 0.00000
706 -0.0383 0.00000
707 -0.0002 0.00000
708 -0.0739 0.00000
709 0.0109 0.00000
710 -0.0196 0.00000
711 0.0068 0.00000
712 0.0094 0.00000
713 -0.0737 0.00000
714 -0.0096 0.00000
715 0.0355 0.00000
716 -0.0081 0.00000
717 -0.0566 0.00000
718 0.0009 0.00000
719 -0.0514 0.00000
720 -0.0321 0.00000
721 -0.0271 0.00000
722 -0.0342 0.00000
723 -0.0241 0.00000
724 0.0093 0.00000
725 -0.0227 0.00000
726 -0.0385 0.00000
727 -0.0015 0.00000
728 -0.0909 0.00000
729 0.0824 0.00000
730 0.0088 0.00000
731 -0.0139 0.00000
732 0.0808 0.00000
733 0.0412 0.00000
734 -0.0525 0.00000
735 -0.1072 0.00000
736 -0.0446 0.00000
737 0.0937 0.00000
738 0.0422 0.00000
739 -0.0221 0.00000
740 -0.0097 0.00000
741 -0.0878 0.00000
742 0.0287 0.00000
743 -0.0487 0.00000
744 -0.0443 0.00000
745 0.0379 0.00000
746 -0.0149 0.00000
747 0.0923 0.00000
748 -0.0484 0.00000
749 -0.0420 0.00000
750 -0.0364 0.00000
751 -0.0305 0.00000
752 -0.0169 0.00000
753 -0.0252 0.00000
754 -0.0333 0.00000
755 -0.0073 0.00000
756 -0.0207 0.00000
757 0.0286 0.00000
758 -0.0261 0.00000
759 0.0199 0.00000
760 -0.0509 0.00000
761 -0.0455 0.00000
762 -0.0711 0.00000
763 -0.0415 0.00000
764 0.0127 0.00000
765 -0.0810 0.00000
766 -0.0271 0.00000
767 -0.0189 0.00000
768 -0.0203 0.00000
769 -0.1134 0.00000
770 -0.0041 0.00000
771 0.0187 0.00000
772 -0.0225 0.00000
773 0.0369 0.00000
774 -0.0129 0.00000
775 0.0147 0.00000
776 0.0153 0.00000
777 0.0029 0.00000
778 0.0167 0.00000
779 0.0199 0.00000
780 0.0312 0.00000
k-point 2 : 0.5000 0.0000 0.0000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1255 0.00000
5 0.4171 0.00000
6 0.2282 0.00000
7 -0.0312 0.00000
8 0.0264 0.00000
9 0.8220 0.00000
10 0.4070 0.00000
11 -0.3745 0.00000
12 0.0897 0.00000
13 -0.0155 0.00000
14 -0.0436 0.00000
15 -0.7342 0.00000
16 0.1520 0.00000
17 0.0527 0.00000
18 0.2740 0.00000
19 0.0044 0.00000
20 -0.0472 0.00000
21 -0.1286 0.00000
22 0.1167 0.00000
23 0.0774 0.00000
24 0.1487 0.00000
25 0.1547 0.00000
26 0.0782 0.00000
27 0.0624 0.00000
28 0.0621 0.00000
29 -0.0864 0.00000
30 0.0170 0.00000
31 0.6484 0.00000
32 0.3030 0.00000
33 0.0432 0.00000
34 0.0560 0.00000
35 0.0312 0.00000
36 0.2136 0.00000
37 -0.1206 0.00000
38 0.1601 0.00000
39 0.3663 0.00000
40 0.0039 0.00000
41 0.0538 0.00000
42 -0.0946 0.00000
43 0.0546 0.00000
44 0.0082 0.00000
45 0.4167 0.00000
46 0.1667 0.00000
47 0.0396 0.00000
48 0.2701 0.00000
49 0.0440 0.00000
50 0.1645 0.00000
51 0.1049 0.00000
52 0.1864 0.00000
53 -0.0041 0.00000
54 0.1112 0.00000
55 0.1042 0.00000
56 0.4881 0.00000
57 -0.0380 0.00000
58 -0.0671 0.00000
59 0.3651 0.00000
60 0.3234 0.00000
61 -0.1448 0.00000
62 0.0544 0.00000
63 0.0632 0.00000
64 0.7816 0.00000
65 0.1374 0.00000
66 0.1215 0.00000
67 0.1838 0.00000
68 0.4831 0.00000
69 -0.0530 0.00000
70 0.1120 0.00000
71 0.0521 0.00000
72 0.0553 0.00000
73 0.0503 0.00000
74 0.0188 0.00000
75 0.0179 0.00000
76 0.0487 0.00000
77 0.0357 0.00000
78 0.0554 0.00000
79 0.1158 0.00000
80 -0.0203 0.00000
81 0.1009 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2469 0.00000
89 0.0030 0.00000
90 -0.1116 0.00000
91 -0.1444 0.00000
92 -0.1602 0.00000
93 0.0176 0.00000
94 0.0025 0.00000
95 0.0091 0.00000
96 0.0206 0.00000
97 -0.0619 0.00000
98 0.0050 0.00000
99 -0.0017 0.00000
100 -0.2626 0.00000
101 -0.0293 0.00000
102 0.0779 0.00000
103 -0.1466 0.00000
104 0.0534 0.00000
105 -0.1360 0.00000
106 -0.0074 0.00000
107 -0.5731 0.00000
108 0.0103 0.00000
109 -0.0148 0.00000
110 0.0738 0.00000
111 -0.9605 0.00000
112 0.0333 0.00000
113 0.0473 0.00000
114 -0.1860 0.00000
115 -0.1670 0.00000
116 -0.5962 0.00000
117 -0.3208 0.00000
118 -0.0158 0.00000
119 0.0463 0.00000
120 0.0483 0.00000
121 0.0321 0.00000
122 -0.0567 0.00000
123 0.0141 0.00000
124 0.0856 0.00000
125 -0.0461 0.00000
126 -0.0651 0.00000
127 -0.0745 0.00000
128 -0.1634 0.00000
129 0.0834 0.00000
130 -0.0287 0.00000
131 0.0882 0.00000
132 -0.0506 0.00000
133 0.0501 0.00000
134 -0.1413 0.00000
135 -0.0059 0.00000
136 0.0233 0.00000
137 0.2117 0.00000
138 -0.0065 0.00000
139 -0.0067 0.00000
140 0.0380 0.00000
141 -0.0669 0.00000
142 0.0403 0.00000
143 0.0178 0.00000
144 0.0558 0.00000
145 0.0624 0.00000
146 0.0653 0.00000
147 0.0255 0.00000
148 -0.0228 0.00000
149 0.4930 0.00000
150 -0.0525 0.00000
151 0.5138 0.00000
152 -0.5045 0.00000
153 0.2622 0.00000
154 0.1458 0.00000
155 0.1629 0.00000
156 -0.0293 0.00000
157 -0.1946 0.00000
158 0.1646 0.00000
159 0.0085 0.00000
160 0.0247 0.00000
161 0.0771 0.00000
162 0.0867 0.00000
163 0.0770 0.00000
164 0.0997 0.00000
165 0.1524 0.00000
166 -0.0606 0.00000
167 0.0770 0.00000
168 0.0421 0.00000
169 -0.0183 0.00000
170 0.0714 0.00000
171 0.0200 0.00000
172 0.1423 0.00000
173 0.1900 0.00000
174 -0.0431 0.00000
175 -0.0311 0.00000
176 0.1022 0.00000
177 0.0618 0.00000
178 0.1347 0.00000
179 -0.0058 0.00000
180 0.0566 0.00000
181 0.0604 0.00000
182 0.0605 0.00000
183 0.0186 0.00000
184 0.0656 0.00000
185 -0.0922 0.00000
186 0.0047 0.00000
187 0.3030 0.00000
188 -0.0618 0.00000
189 -0.0466 0.00000
190 0.0422 0.00000
191 0.1503 0.00000
192 0.1310 0.00000
193 0.0929 0.00000
194 0.0652 0.00000
195 0.1172 0.00000
196 -0.0114 0.00000
197 0.0254 0.00000
198 -0.0052 0.00000
199 -0.0136 0.00000
200 0.0496 0.00000
201 -0.0134 0.00000
202 -0.0359 0.00000
203 0.6382 0.00000
204 -0.2027 0.00000
205 0.0385 0.00000
206 0.0845 0.00000
207 0.3433 0.00000
208 0.0691 0.00000
209 0.1827 0.00000
210 -0.0487 0.00000
211 0.1230 0.00000
212 -0.0099 0.00000
213 0.0286 0.00000
214 0.0404 0.00000
215 0.5078 0.00000
216 0.1373 0.00000
217 0.0947 0.00000
218 0.1304 0.00000
219 0.2157 0.00000
220 0.1747 0.00000
221 0.0897 0.00000
222 0.0019 0.00000
223 -0.0198 0.00000
224 0.3411 0.00000
225 0.1919 0.00000
226 0.0488 0.00000
227 0.0053 0.00000
228 0.0034 0.00000
229 0.0886 0.00000
230 0.0308 0.00000
231 -0.2553 0.00000
232 -0.0030 0.00000
233 -0.0159 0.00000
234 -0.0416 0.00000
235 -0.1364 0.00000
236 -0.0473 0.00000
237 -0.0664 0.00000
238 -0.0908 0.00000
239 -0.0626 0.00000
240 -0.1217 0.00000
241 -0.0432 0.00000
242 -0.0022 0.00000
243 -0.0118 0.00000
244 0.0104 0.00000
245 0.0265 0.00000
246 -0.0351 0.00000
247 0.0050 0.00000
248 0.1611 0.00000
249 -0.0514 0.00000
250 -0.0343 0.00000
251 0.0147 0.00000
252 0.2740 0.00000
253 -0.0451 0.00000
254 -0.0653 0.00000
255 -0.0039 0.00000
256 0.0446 0.00000
257 -0.0280 0.00000
258 0.0243 0.00000
259 0.0134 0.00000
260 -0.0003 0.00000
261 -0.0248 0.00000
262 -0.0184 0.00000
263 -0.0139 0.00000
264 -0.0224 0.00000
265 0.0067 0.00000
266 -0.1146 0.00000
267 -0.0411 0.00000
268 0.0370 0.00000
269 -0.0639 0.00000
270 -0.0452 0.00000
271 -0.0274 0.00000
272 -0.0732 0.00000
273 0.0234 0.00000
274 -0.0750 0.00000
275 0.0165 0.00000
276 -0.0273 0.00000
277 -0.1011 0.00000
278 -0.0089 0.00000
279 -0.1149 0.00000
280 -0.0356 0.00000
281 -0.2809 0.00000
282 -0.0494 0.00000
283 -0.0048 0.00000
284 -0.1104 0.00000
285 0.0245 0.00000
286 0.0264 0.00000
287 -0.0488 0.00000
288 0.0057 0.00000
289 -0.2107 0.00000
290 -0.1896 0.00000
291 -0.1840 0.00000
292 -0.0067 0.00000
293 -0.2376 0.00000
294 -0.7158 0.00000
295 -0.1393 0.00000
296 0.0187 0.00000
297 -0.4053 0.00000
298 -0.0190 0.00000
299 -0.0191 0.00000
300 -0.0014 0.00000
301 0.0134 0.00000
302 -0.0872 0.00000
303 -0.0668 0.00000
304 -0.0424 0.00000
305 0.0057 0.00000
306 -0.0403 0.00000
307 -0.0530 0.00000
308 0.0375 0.00000
309 -0.0778 0.00000
310 -0.0722 0.00000
311 0.0081 0.00000
312 -0.0822 0.00000
313 -0.0141 0.00000
314 -0.0083 0.00000
315 0.0523 0.00000
316 -0.0110 0.00000
317 0.0357 0.00000
318 0.0493 0.00000
319 -0.0309 0.00000
320 -0.0426 0.00000
321 0.1560 0.00000
322 -0.0260 0.00000
323 0.0373 0.00000
324 0.1004 0.00000
325 -0.0210 0.00000
326 -0.0021 0.00000
327 0.1348 0.00000
328 0.0458 0.00000
329 0.1051 0.00000
330 -0.0301 0.00000
331 -0.0194 0.00000
332 0.0631 0.00000
333 -0.0602 0.00000
334 0.0533 0.00000
335 -0.0087 0.00000
336 0.0225 0.00000
337 -0.0063 0.00000
338 0.1664 0.00000
339 -0.0774 0.00000
340 0.0187 0.00000
341 0.0157 0.00000
342 0.0550 0.00000
343 0.0205 0.00000
344 0.1019 0.00000
345 -0.0044 0.00000
346 -0.0335 0.00000
347 0.0474 0.00000
348 0.0616 0.00000
349 0.0019 0.00000
350 0.0322 0.00000
351 -0.0227 0.00000
352 0.0883 0.00000
353 0.1073 0.00000
354 0.0560 0.00000
355 0.0278 0.00000
356 0.0639 0.00000
357 -0.0403 0.00000
358 0.0362 0.00000
359 0.0210 0.00000
360 -0.0006 0.00000
361 -0.0499 0.00000
362 0.0462 0.00000
363 -0.0235 0.00000
364 0.0426 0.00000
365 0.0059 0.00000
366 0.1344 0.00000
367 -0.0199 0.00000
368 -0.0160 0.00000
369 0.0494 0.00000
370 0.1444 0.00000
371 0.0242 0.00000
372 0.0419 0.00000
373 0.0277 0.00000
374 0.0082 0.00000
375 0.0603 0.00000
376 0.0124 0.00000
377 0.0333 0.00000
378 0.1465 0.00000
379 0.0229 0.00000
380 0.0445 0.00000
381 0.0480 0.00000
382 -0.0197 0.00000
383 0.0224 0.00000
384 0.0349 0.00000
385 0.2748 0.00000
386 0.0959 0.00000
387 0.0585 0.00000
388 0.2252 0.00000
389 0.0483 0.00000
390 0.0216 0.00000
391 0.0224 0.00000
392 0.0185 0.00000
393 -0.0828 0.00000
394 0.1228 0.00000
395 -0.0075 0.00000
396 0.1063 0.00000
397 -0.0207 0.00000
398 0.0953 0.00000
399 0.0286 0.00000
400 0.0874 0.00000
401 0.0769 0.00000
402 0.0471 0.00000
403 0.0414 0.00000
404 0.0774 0.00000
405 0.0334 0.00000
406 0.1767 0.00000
407 0.0432 0.00000
408 0.0398 0.00000
409 0.1630 0.00000
410 0.1254 0.00000
411 0.3382 0.00000
412 0.0748 0.00000
413 0.0060 0.00000
414 0.1719 0.00000
415 -0.0375 0.00000
416 0.0860 0.00000
417 -0.0339 0.00000
418 0.0914 0.00000
419 0.1139 0.00000
420 -0.0068 0.00000
421 0.0233 0.00000
422 0.1517 0.00000
423 0.0303 0.00000
424 -0.0157 0.00000
425 -0.0353 0.00000
426 -0.0347 0.00000
427 -0.0060 0.00000
428 0.0175 0.00000
429 0.0312 0.00000
430 0.0750 0.00000
431 0.0986 0.00000
432 -0.0218 0.00000
433 0.0115 0.00000
434 0.0057 0.00000
435 0.0181 0.00000
436 0.0706 0.00000
437 0.0140 0.00000
438 0.0459 0.00000
439 0.0302 0.00000
440 -0.1170 0.00000
441 0.0715 0.00000
442 0.0171 0.00000
443 -0.0569 0.00000
444 -0.0095 0.00000
445 -0.0250 0.00000
446 0.0712 0.00000
447 0.0122 0.00000
448 0.0650 0.00000
449 0.0855 0.00000
450 0.0906 0.00000
451 0.0570 0.00000
452 0.0439 0.00000
453 0.0624 0.00000
454 0.0392 0.00000
455 0.1070 0.00000
456 0.0042 0.00000
457 0.0083 0.00000
458 -0.0352 0.00000
459 -0.0247 0.00000
460 0.0976 0.00000
461 -0.0645 0.00000
462 0.0091 0.00000
463 -0.0741 0.00000
464 0.0506 0.00000
465 0.0750 0.00000
466 -0.0062 0.00000
467 -0.0559 0.00000
468 0.0234 0.00000
469 0.0339 0.00000
470 -0.0086 0.00000
471 0.0462 0.00000
472 -0.0299 0.00000
473 0.0475 0.00000
474 0.1510 0.00000
475 0.0530 0.00000
476 -0.0026 0.00000
477 0.0037 0.00000
478 -0.0153 0.00000
479 0.0164 0.00000
480 -0.0345 0.00000
481 0.0095 0.00000
482 0.0492 0.00000
483 0.0537 0.00000
484 0.0665 0.00000
485 0.0108 0.00000
486 0.1049 0.00000
487 0.1100 0.00000
488 0.0289 0.00000
489 0.0423 0.00000
490 -0.0163 0.00000
491 0.0225 0.00000
492 -0.0702 0.00000
493 0.0099 0.00000
494 0.0698 0.00000
495 0.0343 0.00000
496 -0.0065 0.00000
497 0.0016 0.00000
498 -0.0628 0.00000
499 0.0060 0.00000
500 0.0775 0.00000
501 -0.0394 0.00000
502 -0.0347 0.00000
503 -0.0452 0.00000
504 0.0327 0.00000
505 0.0215 0.00000
506 -0.0199 0.00000
507 0.0073 0.00000
508 0.0684 0.00000
509 0.0497 0.00000
510 0.2405 0.00000
511 -0.0505 0.00000
512 0.0083 0.00000
513 0.0040 0.00000
514 -0.0632 0.00000
515 0.0694 0.00000
516 0.1181 0.00000
517 -0.1503 0.00000
518 0.0069 0.00000
519 -0.0735 0.00000
520 0.0383 0.00000
521 0.1485 0.00000
522 0.0788 0.00000
523 -0.0561 0.00000
524 -0.0513 0.00000
525 -0.0469 0.00000
526 0.1002 0.00000
527 0.0428 0.00000
528 0.1421 0.00000
529 0.0437 0.00000
530 0.0371 0.00000
531 0.1241 0.00000
532 0.0154 0.00000
533 -0.0075 0.00000
534 -0.0526 0.00000
535 0.0612 0.00000
536 0.0398 0.00000
537 0.0758 0.00000
538 0.0425 0.00000
539 0.0507 0.00000
540 0.0243 0.00000
541 0.0020 0.00000
542 0.0193 0.00000
543 0.0226 0.00000
544 0.0443 0.00000
545 -0.0425 0.00000
546 -0.2322 0.00000
547 0.0210 0.00000
548 -0.0703 0.00000
549 0.0408 0.00000
550 0.0551 0.00000
551 -0.0128 0.00000
552 0.0299 0.00000
553 -0.0163 0.00000
554 -0.0260 0.00000
555 0.0278 0.00000
556 -0.0206 0.00000
557 -0.0206 0.00000
558 0.0173 0.00000
559 -0.0170 0.00000
560 0.0196 0.00000
561 0.0457 0.00000
562 0.0047 0.00000
563 0.0252 0.00000
564 0.0267 0.00000
565 -0.0536 0.00000
566 -0.0783 0.00000
567 0.2370 0.00000
568 0.0298 0.00000
569 0.0330 0.00000
570 0.0266 0.00000
571 -0.0020 0.00000
572 0.0356 0.00000
573 0.0502 0.00000
574 -0.0192 0.00000
575 0.0971 0.00000
576 0.0117 0.00000
577 0.0834 0.00000
578 0.0322 0.00000
579 0.0169 0.00000
580 0.0214 0.00000
581 0.0294 0.00000
582 0.0163 0.00000
583 0.0338 0.00000
584 0.0022 0.00000
585 0.0136 0.00000
586 0.0161 0.00000
587 0.0240 0.00000
588 0.0761 0.00000
589 -0.0556 0.00000
590 0.0567 0.00000
591 -0.0457 0.00000
592 0.0101 0.00000
593 -0.0222 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1718 0.00000
597 -0.1827 0.00000
598 -0.0402 0.00000
599 0.0827 0.00000
600 -0.0377 0.00000
601 0.2172 0.00000
602 -0.1481 0.00000
603 -0.0270 0.00000
604 0.0515 0.00000
605 -0.0701 0.00000
606 0.0116 0.00000
607 0.1237 0.00000
608 -0.1316 0.00000
609 -0.1304 0.00000
610 0.0199 0.00000
611 -0.1148 0.00000
612 0.0549 0.00000
613 0.0096 0.00000
614 0.0029 0.00000
615 -0.0316 0.00000
616 0.0462 0.00000
617 -0.0139 0.00000
618 -0.0050 0.00000
619 0.0034 0.00000
620 0.0004 0.00000
621 -0.0572 0.00000
622 -0.0787 0.00000
623 -0.0517 0.00000
624 -0.0007 0.00000
625 -0.2138 0.00000
626 -0.0319 0.00000
627 -0.0391 0.00000
628 -0.0428 0.00000
629 -0.0039 0.00000
630 0.0350 0.00000
631 -0.1216 0.00000
632 -0.0358 0.00000
633 -0.0856 0.00000
634 -0.0132 0.00000
635 0.0037 0.00000
636 0.0124 0.00000
637 -0.0050 0.00000
638 -0.1167 0.00000
639 0.0225 0.00000
640 -0.0477 0.00000
641 -0.0344 0.00000
642 -0.0944 0.00000
643 -0.0106 0.00000
644 -0.0692 0.00000
645 -0.0343 0.00000
646 0.0127 0.00000
647 -0.1246 0.00000
648 -0.0308 0.00000
649 -0.0354 0.00000
650 -0.0007 0.00000
651 -0.0156 0.00000
652 -0.0556 0.00000
653 -0.0057 0.00000
654 -0.1075 0.00000
655 -0.0198 0.00000
656 -0.0809 0.00000
657 -0.0984 0.00000
658 -0.0064 0.00000
659 -0.0243 0.00000
660 -0.1072 0.00000
661 -0.0438 0.00000
662 -0.0230 0.00000
663 -0.0054 0.00000
664 -0.0405 0.00000
665 -0.0833 0.00000
666 -0.0687 0.00000
667 0.0313 0.00000
668 -0.0078 0.00000
669 -0.0085 0.00000
670 -0.0559 0.00000
671 -0.0155 0.00000
672 -0.0631 0.00000
673 0.0388 0.00000
674 -0.0666 0.00000
675 -0.0174 0.00000
676 -0.0134 0.00000
677 -0.0272 0.00000
678 -0.0611 0.00000
679 -0.0285 0.00000
680 -0.0022 0.00000
681 0.0032 0.00000
682 -0.0800 0.00000
683 0.0093 0.00000
684 0.0020 0.00000
685 -0.0508 0.00000
686 -0.0538 0.00000
687 0.0377 0.00000
688 -0.0149 0.00000
689 -0.0177 0.00000
690 -0.0203 0.00000
691 -0.0285 0.00000
692 0.0188 0.00000
693 -0.0010 0.00000
694 -0.0038 0.00000
695 0.0622 0.00000
696 -0.0158 0.00000
697 0.0272 0.00000
698 -0.0504 0.00000
699 0.0100 0.00000
700 -0.0134 0.00000
701 -0.0503 0.00000
702 -0.0432 0.00000
703 -0.0295 0.00000
704 0.0461 0.00000
705 -0.0156 0.00000
706 -0.0564 0.00000
707 -0.0046 0.00000
708 0.0084 0.00000
709 -0.0434 0.00000
710 -0.0650 0.00000
711 0.0264 0.00000
712 0.0186 0.00000
713 -0.0943 0.00000
714 0.0953 0.00000
715 -0.0534 0.00000
716 -0.0296 0.00000
717 0.0256 0.00000
718 -0.0265 0.00000
719 -0.0103 0.00000
720 -0.1974 0.00000
721 -0.0292 0.00000
722 0.0140 0.00000
723 0.0042 0.00000
724 -0.0640 0.00000
725 -0.0582 0.00000
726 -0.0077 0.00000
727 0.0056 0.00000
728 0.0380 0.00000
729 -0.0243 0.00000
730 0.0055 0.00000
731 -0.0398 0.00000
732 0.1389 0.00000
733 0.1157 0.00000
734 0.0183 0.00000
735 0.0033 0.00000
736 -0.0363 0.00000
737 -0.0573 0.00000
738 -0.0293 0.00000
739 -0.0491 0.00000
740 -0.0792 0.00000
741 -0.0134 0.00000
742 0.0063 0.00000
743 0.0265 0.00000
744 0.0174 0.00000
745 -0.0087 0.00000
746 -0.0128 0.00000
747 0.0024 0.00000
748 -0.0455 0.00000
749 -0.0505 0.00000
750 -0.0681 0.00000
751 -0.0278 0.00000
752 -0.0083 0.00000
753 0.0181 0.00000
754 0.0273 0.00000
755 -0.0144 0.00000
756 -0.0163 0.00000
757 -0.0793 0.00000
758 0.0291 0.00000
759 -0.1002 0.00000
760 -0.0770 0.00000
761 -0.0638 0.00000
762 0.0479 0.00000
763 0.0027 0.00000
764 -0.0033 0.00000
765 0.0284 0.00000
766 -0.0142 0.00000
767 0.0211 0.00000
768 0.0375 0.00000
769 -0.0727 0.00000
770 -0.0094 0.00000
771 -0.0165 0.00000
772 -0.0069 0.00000
773 -0.0239 0.00000
774 -0.0070 0.00000
775 0.0604 0.00000
776 0.0783 0.00000
777 -0.0492 0.00000
778 -0.0438 0.00000
779 -0.0214 0.00000
780 0.0421 0.00000
k-point 3 : 0.0000 0.5000 0.0000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1065 0.00000
5 0.3975 0.00000
6 0.2300 0.00000
7 -0.0307 0.00000
8 0.0250 0.00000
9 0.8178 0.00000
10 0.4073 0.00000
11 -0.3707 0.00000
12 0.0897 0.00000
13 -0.0155 0.00000
14 -0.0437 0.00000
15 -0.7337 0.00000
16 0.1134 0.00000
17 0.1522 0.00000
18 0.2104 0.00000
19 0.0243 0.00000
20 -0.0604 0.00000
21 -0.1291 0.00000
22 0.1011 0.00000
23 0.0694 0.00000
24 0.1382 0.00000
25 0.2018 0.00000
26 0.0756 0.00000
27 0.0718 0.00000
28 0.0431 0.00000
29 -0.0363 0.00000
30 0.0400 0.00000
31 0.5203 0.00000
32 0.3299 0.00000
33 0.0520 0.00000
34 0.0923 0.00000
35 0.0232 0.00000
36 0.2631 0.00000
37 -0.0723 0.00000
38 0.1069 0.00000
39 0.0204 0.00000
40 0.2672 0.00000
41 0.0606 0.00000
42 -0.0349 0.00000
43 0.0558 0.00000
44 0.1400 0.00000
45 0.2139 0.00000
46 0.0669 0.00000
47 0.0760 0.00000
48 0.4365 0.00000
49 0.0923 0.00000
50 0.0222 0.00000
51 0.0653 0.00000
52 0.3061 0.00000
53 -0.0105 0.00000
54 0.1069 0.00000
55 0.0263 0.00000
56 0.5073 0.00000
57 -0.0399 0.00000
58 -0.0552 0.00000
59 0.3400 0.00000
60 0.4268 0.00000
61 -0.1786 0.00000
62 -0.0276 0.00000
63 0.4284 0.00000
64 0.4771 0.00000
65 0.2914 0.00000
66 0.0790 0.00000
67 0.0036 0.00000
68 0.4450 0.00000
69 0.0364 0.00000
70 0.0379 0.00000
71 0.1138 0.00000
72 0.0553 0.00000
73 0.0545 0.00000
74 0.0207 0.00000
75 0.0242 0.00000
76 0.0437 0.00000
77 0.0344 0.00000
78 0.0596 0.00000
79 0.1100 0.00000
80 -0.0201 0.00000
81 0.1010 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2470 0.00000
89 0.0014 0.00000
90 -0.1097 0.00000
91 -0.1441 0.00000
92 -0.1579 0.00000
93 0.0269 0.00000
94 -0.0013 0.00000
95 0.0383 0.00000
96 -0.0527 0.00000
97 -0.0616 0.00000
98 0.0388 0.00000
99 0.0270 0.00000
100 -0.2767 0.00000
101 -0.0576 0.00000
102 0.0468 0.00000
103 -0.1119 0.00000
104 0.0225 0.00000
105 -0.0561 0.00000
106 -0.0496 0.00000
107 -0.5301 0.00000
108 0.0457 0.00000
109 -0.0197 0.00000
110 -0.7926 0.00000
111 -0.1280 0.00000
112 0.0339 0.00000
113 0.0514 0.00000
114 -0.1827 0.00000
115 -0.1544 0.00000
116 -0.7138 0.00000
117 -0.2357 0.00000
118 -0.0175 0.00000
119 0.0292 0.00000
120 0.0378 0.00000
121 0.0542 0.00000
122 -0.0835 0.00000
123 0.0471 0.00000
124 0.1022 0.00000
125 -0.0838 0.00000
126 -0.0746 0.00000
127 -0.0895 0.00000
128 -0.1358 0.00000
129 0.0771 0.00000
130 -0.0182 0.00000
131 0.0910 0.00000
132 -0.0528 0.00000
133 0.0205 0.00000
134 -0.1212 0.00000
135 -0.0065 0.00000
136 -0.0155 0.00000
137 0.2517 0.00000
138 -0.0049 0.00000
139 -0.0031 0.00000
140 0.0272 0.00000
141 -0.0675 0.00000
142 0.0404 0.00000
143 0.0172 0.00000
144 0.0621 0.00000
145 0.0621 0.00000
146 0.0625 0.00000
147 0.0266 0.00000
148 -0.0197 0.00000
149 0.5226 0.00000
150 -0.0318 0.00000
151 0.3703 0.00000
152 -0.3627 0.00000
153 0.1846 0.00000
154 0.3464 0.00000
155 0.0787 0.00000
156 -0.2925 0.00000
157 0.0754 0.00000
158 0.0384 0.00000
159 0.0172 0.00000
160 0.0025 0.00000
161 0.0627 0.00000
162 0.0803 0.00000
163 0.1493 0.00000
164 0.1335 0.00000
165 0.0261 0.00000
166 0.1330 0.00000
167 0.0662 0.00000
168 0.0071 0.00000
169 -0.0437 0.00000
170 0.0293 0.00000
171 0.0825 0.00000
172 0.0150 0.00000
173 0.2246 0.00000
174 -0.0127 0.00000
175 0.0307 0.00000
176 0.0428 0.00000
177 0.0004 0.00000
178 0.0775 0.00000
179 0.1168 0.00000
180 0.0101 0.00000
181 0.0876 0.00000
182 0.0877 0.00000
183 0.0348 0.00000
184 0.0553 0.00000
185 -0.0842 0.00000
186 -0.0047 0.00000
187 0.2268 0.00000
188 0.0369 0.00000
189 0.0695 0.00000
190 0.0270 0.00000
191 -0.0199 0.00000
192 0.0199 0.00000
193 0.1997 0.00000
194 0.0738 0.00000
195 0.0440 0.00000
196 0.0773 0.00000
197 0.0447 0.00000
198 -0.0226 0.00000
199 -0.1003 0.00000
200 0.0769 0.00000
201 0.2584 0.00000
202 0.0940 0.00000
203 0.0316 0.00000
204 -0.0908 0.00000
205 0.1349 0.00000
206 0.5332 0.00000
207 0.0426 0.00000
208 0.0143 0.00000
209 0.0877 0.00000
210 0.0162 0.00000
211 -0.0332 0.00000
212 0.1806 0.00000
213 -0.0802 0.00000
214 0.3452 0.00000
215 0.1412 0.00000
216 0.0974 0.00000
217 0.1017 0.00000
218 0.5262 0.00000
219 0.0709 0.00000
220 0.1001 0.00000
221 0.0316 0.00000
222 0.0293 0.00000
223 0.1571 0.00000
224 0.2102 0.00000
225 0.1303 0.00000
226 0.0993 0.00000
227 0.0000 0.00000
228 0.0005 0.00000
229 0.0851 0.00000
230 0.0352 0.00000
231 -0.2561 0.00000
232 0.0008 0.00000
233 -0.0165 0.00000
234 -0.0426 0.00000
235 -0.1546 0.00000
236 -0.0440 0.00000
237 -0.0571 0.00000
238 -0.0917 0.00000
239 -0.0114 0.00000
240 -0.1413 0.00000
241 -0.0591 0.00000
242 0.0054 0.00000
243 -0.0591 0.00000
244 -0.0173 0.00000
245 0.0360 0.00000
246 0.0137 0.00000
247 0.0473 0.00000
248 0.0777 0.00000
249 -0.0340 0.00000
250 0.0186 0.00000
251 -0.1221 0.00000
252 0.3723 0.00000
253 -0.0499 0.00000
254 -0.0205 0.00000
255 -0.0328 0.00000
256 0.0394 0.00000
257 -0.0225 0.00000
258 0.0357 0.00000
259 -0.0024 0.00000
260 -0.0134 0.00000
261 -0.0317 0.00000
262 0.0131 0.00000
263 0.0024 0.00000
264 0.0028 0.00000
265 -0.0193 0.00000
266 -0.1021 0.00000
267 -0.0348 0.00000
268 -0.0364 0.00000
269 -0.0462 0.00000
270 -0.0128 0.00000
271 -0.0670 0.00000
272 -0.0329 0.00000
273 0.0253 0.00000
274 -0.0428 0.00000
275 -0.0699 0.00000
276 -0.1179 0.00000
277 -0.0358 0.00000
278 -0.0588 0.00000
279 -0.0055 0.00000
280 -0.0169 0.00000
281 -0.0099 0.00000
282 0.0108 0.00000
283 -0.1848 0.00000
284 -0.0029 0.00000
285 -0.2999 0.00000
286 -0.0440 0.00000
287 -0.3531 0.00000
288 -0.0194 0.00000
289 -0.0202 0.00000
290 -0.1301 0.00000
291 -0.2538 0.00000
292 -0.0212 0.00000
293 -0.0132 0.00000
294 -0.5298 0.00000
295 -0.3717 0.00000
296 -0.1022 0.00000
297 -0.0076 0.00000
298 -0.0318 0.00000
299 -0.1745 0.00000
300 -0.0693 0.00000
301 -0.0181 0.00000
302 0.0353 0.00000
303 -0.1234 0.00000
304 0.0296 0.00000
305 0.0320 0.00000
306 -0.0567 0.00000
307 -0.0807 0.00000
308 -0.1493 0.00000
309 0.0054 0.00000
310 -0.0267 0.00000
311 0.0045 0.00000
312 -0.0450 0.00000
313 0.0369 0.00000
314 0.0322 0.00000
315 0.0180 0.00000
316 -0.0687 0.00000
317 0.0160 0.00000
318 0.0887 0.00000
319 0.0059 0.00000
320 -0.0591 0.00000
321 -0.0269 0.00000
322 0.0998 0.00000
323 0.1524 0.00000
324 0.0114 0.00000
325 0.0506 0.00000
326 0.0806 0.00000
327 0.0496 0.00000
328 0.0622 0.00000
329 -0.0527 0.00000
330 0.0617 0.00000
331 0.0341 0.00000
332 -0.0483 0.00000
333 -0.0689 0.00000
334 0.0004 0.00000
335 0.0985 0.00000
336 0.0420 0.00000
337 0.1103 0.00000
338 0.0008 0.00000
339 0.0538 0.00000
340 -0.0245 0.00000
341 -0.0042 0.00000
342 -0.0372 0.00000
343 0.0771 0.00000
344 0.0621 0.00000
345 0.0069 0.00000
346 0.0404 0.00000
347 0.0254 0.00000
348 0.0606 0.00000
349 -0.0260 0.00000
350 0.0257 0.00000
351 -0.0149 0.00000
352 0.0067 0.00000
353 0.0551 0.00000
354 0.0918 0.00000
355 0.0010 0.00000
356 0.0352 0.00000
357 0.0360 0.00000
358 -0.0053 0.00000
359 0.0720 0.00000
360 0.0089 0.00000
361 -0.0143 0.00000
362 0.0023 0.00000
363 0.0339 0.00000
364 0.0513 0.00000
365 0.0382 0.00000
366 0.0937 0.00000
367 0.0131 0.00000
368 0.0070 0.00000
369 0.0315 0.00000
370 0.1458 0.00000
371 0.0474 0.00000
372 -0.0140 0.00000
373 0.0828 0.00000
374 0.0179 0.00000
375 0.0453 0.00000
376 -0.0516 0.00000
377 0.0476 0.00000
378 0.1071 0.00000
379 0.0476 0.00000
380 0.0475 0.00000
381 0.0772 0.00000
382 0.0066 0.00000
383 0.0480 0.00000
384 0.0854 0.00000
385 0.0145 0.00000
386 0.0005 0.00000
387 0.1696 0.00000
388 0.2322 0.00000
389 0.0053 0.00000
390 0.0733 0.00000
391 0.0629 0.00000
392 0.0360 0.00000
393 -0.0546 0.00000
394 0.1982 0.00000
395 0.0277 0.00000
396 0.0209 0.00000
397 0.1557 0.00000
398 0.0013 0.00000
399 -0.0420 0.00000
400 -0.0696 0.00000
401 0.1350 0.00000
402 0.0461 0.00000
403 0.0998 0.00000
404 0.0313 0.00000
405 0.0008 0.00000
406 0.1159 0.00000
407 0.0859 0.00000
408 0.3591 0.00000
409 0.0980 0.00000
410 0.0564 0.00000
411 0.1827 0.00000
412 0.0373 0.00000
413 0.1424 0.00000
414 0.0726 0.00000
415 0.0385 0.00000
416 0.0803 0.00000
417 0.0390 0.00000
418 0.0003 0.00000
419 0.1003 0.00000
420 0.1217 0.00000
421 0.0396 0.00000
422 0.0028 0.00000
423 0.0950 0.00000
424 0.0314 0.00000
425 -0.0260 0.00000
426 -0.0350 0.00000
427 0.0014 0.00000
428 0.0305 0.00000
429 0.0192 0.00000
430 -0.0328 0.00000
431 0.0367 0.00000
432 0.0574 0.00000
433 -0.0481 0.00000
434 -0.0057 0.00000
435 -0.0030 0.00000
436 -0.0036 0.00000
437 0.0373 0.00000
438 0.0086 0.00000
439 0.0281 0.00000
440 0.0307 0.00000
441 0.0527 0.00000
442 -0.0196 0.00000
443 -0.0524 0.00000
444 0.1655 0.00000
445 0.0065 0.00000
446 0.0734 0.00000
447 -0.0333 0.00000
448 -0.0550 0.00000
449 0.0394 0.00000
450 0.0433 0.00000
451 0.0604 0.00000
452 0.0918 0.00000
453 0.0995 0.00000
454 0.0507 0.00000
455 0.0626 0.00000
456 0.0206 0.00000
457 -0.0289 0.00000
458 -0.0068 0.00000
459 -0.0353 0.00000
460 0.1213 0.00000
461 0.0593 0.00000
462 -0.0132 0.00000
463 0.0522 0.00000
464 -0.0520 0.00000
465 0.0915 0.00000
466 -0.0223 0.00000
467 0.0248 0.00000
468 -0.0005 0.00000
469 0.0407 0.00000
470 0.0053 0.00000
471 -0.0334 0.00000
472 -0.0869 0.00000
473 -0.0466 0.00000
474 -0.0025 0.00000
475 0.0504 0.00000
476 0.0662 0.00000
477 0.0538 0.00000
478 0.1635 0.00000
479 0.0284 0.00000
480 -0.1212 0.00000
481 0.0433 0.00000
482 -0.0564 0.00000
483 0.1705 0.00000
484 0.0118 0.00000
485 0.1075 0.00000
486 0.0056 0.00000
487 0.0162 0.00000
488 0.1565 0.00000
489 0.0511 0.00000
490 0.0595 0.00000
491 -0.0957 0.00000
492 0.1487 0.00000
493 0.0687 0.00000
494 0.0467 0.00000
495 0.1163 0.00000
496 -0.0383 0.00000
497 -0.1027 0.00000
498 -0.0770 0.00000
499 0.0129 0.00000
500 -0.1149 0.00000
501 0.0381 0.00000
502 -0.0013 0.00000
503 -0.1292 0.00000
504 0.0042 0.00000
505 0.0247 0.00000
506 -0.0309 0.00000
507 0.0172 0.00000
508 -0.0420 0.00000
509 0.0764 0.00000
510 0.0883 0.00000
511 0.0254 0.00000
512 -0.1037 0.00000
513 0.0581 0.00000
514 -0.0149 0.00000
515 0.0781 0.00000
516 0.0430 0.00000
517 0.0769 0.00000
518 -0.0533 0.00000
519 0.1931 0.00000
520 0.0225 0.00000
521 -0.0581 0.00000
522 -0.0426 0.00000
523 0.0578 0.00000
524 0.0392 0.00000
525 0.0610 0.00000
526 -0.0086 0.00000
527 0.0073 0.00000
528 0.0463 0.00000
529 0.1633 0.00000
530 0.0303 0.00000
531 -0.0452 0.00000
532 0.0223 0.00000
533 0.0788 0.00000
534 0.0004 0.00000
535 0.1181 0.00000
536 0.0254 0.00000
537 0.0887 0.00000
538 0.0514 0.00000
539 -0.0837 0.00000
540 0.0281 0.00000
541 0.0125 0.00000
542 -0.0638 0.00000
543 0.0598 0.00000
544 0.0162 0.00000
545 0.0557 0.00000
546 0.0180 0.00000
547 0.0139 0.00000
548 0.0285 0.00000
549 -0.0537 0.00000
550 -0.1496 0.00000
551 0.0110 0.00000
552 -0.0054 0.00000
553 -0.0391 0.00000
554 0.0051 0.00000
555 0.0272 0.00000
556 0.1133 0.00000
557 -0.0314 0.00000
558 -0.0056 0.00000
559 -0.0158 0.00000
560 -0.0087 0.00000
561 -0.0091 0.00000
562 -0.0073 0.00000
563 0.0127 0.00000
564 -0.0022 0.00000
565 0.0705 0.00000
566 0.0119 0.00000
567 -0.0226 0.00000
568 -0.0075 0.00000
569 0.0329 0.00000
570 0.0962 0.00000
571 0.0638 0.00000
572 0.0270 0.00000
573 0.0969 0.00000
574 0.0394 0.00000
575 0.0379 0.00000
576 0.0645 0.00000
577 0.0408 0.00000
578 0.0249 0.00000
579 0.0135 0.00000
580 0.0367 0.00000
581 0.0312 0.00000
582 0.0207 0.00000
583 -0.0164 0.00000
584 0.0037 0.00000
585 -0.0009 0.00000
586 0.0103 0.00000
587 0.0348 0.00000
588 0.0668 0.00000
589 -0.0559 0.00000
590 0.0329 0.00000
591 -0.0177 0.00000
592 0.0065 0.00000
593 -0.0196 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1716 0.00000
597 -0.1819 0.00000
598 -0.0165 0.00000
599 0.0266 0.00000
600 0.0853 0.00000
601 0.0290 0.00000
602 0.0340 0.00000
603 -0.1180 0.00000
604 0.1271 0.00000
605 0.0441 0.00000
606 -0.1807 0.00000
607 -0.0548 0.00000
608 -0.0797 0.00000
609 0.0069 0.00000
610 -0.0491 0.00000
611 -0.0164 0.00000
612 0.0210 0.00000
613 0.0521 0.00000
614 -0.0391 0.00000
615 -0.0354 0.00000
616 0.0048 0.00000
617 -0.1156 0.00000
618 -0.0366 0.00000
619 -0.0267 0.00000
620 -0.0158 0.00000
621 0.0104 0.00000
622 0.0095 0.00000
623 -0.0038 0.00000
624 -0.0270 0.00000
625 0.0155 0.00000
626 -0.1310 0.00000
627 -0.0875 0.00000
628 0.0003 0.00000
629 -0.0501 0.00000
630 -0.0095 0.00000
631 -0.0538 0.00000
632 -0.0319 0.00000
633 -0.0013 0.00000
634 -0.0402 0.00000
635 -0.0232 0.00000
636 -0.0502 0.00000
637 -0.0475 0.00000
638 0.0051 0.00000
639 -0.1045 0.00000
640 -0.1144 0.00000
641 -0.0359 0.00000
642 -0.0841 0.00000
643 -0.0200 0.00000
644 -0.0293 0.00000
645 -0.0455 0.00000
646 -0.0404 0.00000
647 -0.0724 0.00000
648 -0.0509 0.00000
649 -0.0507 0.00000
650 -0.0356 0.00000
651 0.0569 0.00000
652 -0.0268 0.00000
653 -0.0263 0.00000
654 -0.0237 0.00000
655 -0.0243 0.00000
656 -0.0481 0.00000
657 -0.0662 0.00000
658 -0.0017 0.00000
659 -0.0916 0.00000
660 -0.0517 0.00000
661 0.0289 0.00000
662 -0.0074 0.00000
663 -0.0805 0.00000
664 -0.0139 0.00000
665 -0.0248 0.00000
666 -0.1153 0.00000
667 -0.0559 0.00000
668 0.0273 0.00000
669 -0.0822 0.00000
670 -0.0105 0.00000
671 0.0029 0.00000
672 -0.0452 0.00000
673 -0.0397 0.00000
674 0.0406 0.00000
675 -0.0938 0.00000
676 0.0146 0.00000
677 -0.0558 0.00000
678 -0.0786 0.00000
679 -0.0118 0.00000
680 -0.1026 0.00000
681 0.0343 0.00000
682 -0.0672 0.00000
683 -0.0265 0.00000
684 0.0188 0.00000
685 -0.0011 0.00000
686 0.0036 0.00000
687 -0.0418 0.00000
688 -0.0288 0.00000
689 -0.0306 0.00000
690 0.0192 0.00000
691 -0.0178 0.00000
692 -0.0592 0.00000
693 0.0187 0.00000
694 -0.0439 0.00000
695 -0.0630 0.00000
696 0.0321 0.00000
697 0.0338 0.00000
698 -0.0187 0.00000
699 0.0287 0.00000
700 -0.0160 0.00000
701 0.0082 0.00000
702 -0.0303 0.00000
703 0.1015 0.00000
704 0.0387 0.00000
705 -0.0721 0.00000
706 -0.0170 0.00000
707 0.0101 0.00000
708 0.0152 0.00000
709 -0.0120 0.00000
710 -0.0626 0.00000
711 0.0119 0.00000
712 -0.0187 0.00000
713 -0.0095 0.00000
714 -0.0073 0.00000
715 0.0082 0.00000
716 -0.0169 0.00000
717 -0.1316 0.00000
718 -0.0961 0.00000
719 -0.0655 0.00000
720 -0.0706 0.00000
721 -0.0201 0.00000
722 -0.0310 0.00000
723 0.0189 0.00000
724 -0.0499 0.00000
725 0.0444 0.00000
726 -0.0447 0.00000
727 0.0615 0.00000
728 -0.0220 0.00000
729 -0.0051 0.00000
730 -0.0256 0.00000
731 0.0303 0.00000
732 0.1781 0.00000
733 -0.0318 0.00000
734 -0.0942 0.00000
735 0.0961 0.00000
736 0.0302 0.00000
737 -0.0338 0.00000
738 -0.0238 0.00000
739 -0.0282 0.00000
740 -0.0139 0.00000
741 -0.0354 0.00000
742 -0.0575 0.00000
743 -0.0643 0.00000
744 -0.2063 0.00000
745 0.0348 0.00000
746 0.0105 0.00000
747 -0.0043 0.00000
748 -0.0535 0.00000
749 -0.0220 0.00000
750 0.0060 0.00000
751 -0.0433 0.00000
752 -0.0566 0.00000
753 -0.0222 0.00000
754 -0.0123 0.00000
755 0.0093 0.00000
756 0.0038 0.00000
757 -0.0088 0.00000
758 -0.0235 0.00000
759 -0.0598 0.00000
760 0.0207 0.00000
761 0.0815 0.00000
762 0.0511 0.00000
763 -0.0233 0.00000
764 0.0453 0.00000
765 0.0304 0.00000
766 -0.0402 0.00000
767 0.0437 0.00000
768 -0.0196 0.00000
769 -0.0095 0.00000
770 -0.0193 0.00000
771 -0.0160 0.00000
772 0.0063 0.00000
773 -0.0143 0.00000
774 -0.0326 0.00000
775 -0.1023 0.00000
776 0.0070 0.00000
777 -0.0281 0.00000
778 0.0475 0.00000
779 0.0188 0.00000
780 0.0301 0.00000
k-point 4 : 0.0000 0.0000 0.5000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1151 0.00000
5 0.4071 0.00000
6 0.2254 0.00000
7 -0.0268 0.00000
8 0.0248 0.00000
9 0.8166 0.00000
10 0.4120 0.00000
11 -0.3697 0.00000
12 0.0843 0.00000
13 -0.0149 0.00000
14 -0.0435 0.00000
15 -0.7336 0.00000
16 0.1617 0.00000
17 0.0648 0.00000
18 0.2304 0.00000
19 0.0205 0.00000
20 -0.0403 0.00000
21 -0.1291 0.00000
22 0.1000 0.00000
23 0.0664 0.00000
24 0.1336 0.00000
25 0.1995 0.00000
26 0.0808 0.00000
27 0.0745 0.00000
28 0.1268 0.00000
29 -0.0756 0.00000
30 0.0235 0.00000
31 0.5023 0.00000
32 0.3404 0.00000
33 0.0472 0.00000
34 0.0623 0.00000
35 0.0328 0.00000
36 0.2608 0.00000
37 -0.1251 0.00000
38 0.1381 0.00000
39 0.3391 0.00000
40 0.0036 0.00000
41 0.0526 0.00000
42 -0.1069 0.00000
43 0.0549 0.00000
44 0.0406 0.00000
45 0.5030 0.00000
46 0.0830 0.00000
47 0.0249 0.00000
48 0.2554 0.00000
49 -0.0515 0.00000
50 0.2697 0.00000
51 0.1677 0.00000
52 0.1536 0.00000
53 -0.0078 0.00000
54 0.0409 0.00000
55 -0.0055 0.00000
56 0.6439 0.00000
57 -0.0393 0.00000
58 -0.0478 0.00000
59 0.2507 0.00000
60 0.3224 0.00000
61 -0.0964 0.00000
62 0.1038 0.00000
63 0.4506 0.00000
64 0.5627 0.00000
65 0.1537 0.00000
66 0.0537 0.00000
67 0.3435 0.00000
68 0.1271 0.00000
69 0.0240 0.00000
70 0.0437 0.00000
71 0.1149 0.00000
72 0.0555 0.00000
73 0.0573 0.00000
74 0.0206 0.00000
75 0.0141 0.00000
76 0.0553 0.00000
77 0.0319 0.00000
78 0.0461 0.00000
79 0.1239 0.00000
80 -0.0199 0.00000
81 0.1007 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2470 0.00000
89 0.0021 0.00000
90 -0.1114 0.00000
91 -0.1570 0.00000
92 -0.1430 0.00000
93 0.0278 0.00000
94 0.0275 0.00000
95 0.0282 0.00000
96 -0.0476 0.00000
97 -0.1217 0.00000
98 -0.0321 0.00000
99 0.0111 0.00000
100 -0.1305 0.00000
101 -0.0924 0.00000
102 0.0631 0.00000
103 0.0211 0.00000
104 -0.0766 0.00000
105 -0.0853 0.00000
106 0.0224 0.00000
107 -1.0726 0.00000
108 -0.0054 0.00000
109 0.0339 0.00000
110 -0.0852 0.00000
111 -0.3191 0.00000
112 0.0562 0.00000
113 0.0520 0.00000
114 -0.0886 0.00000
115 -0.2577 0.00000
116 -0.7046 0.00000
117 -0.3164 0.00000
118 -0.0389 0.00000
119 0.0626 0.00000
120 0.0040 0.00000
121 0.0893 0.00000
122 -0.0810 0.00000
123 0.0576 0.00000
124 0.0674 0.00000
125 -0.0860 0.00000
126 -0.0770 0.00000
127 -0.0599 0.00000
128 -0.1618 0.00000
129 0.0972 0.00000
130 -0.0379 0.00000
131 0.0592 0.00000
132 0.0022 0.00000
133 0.0118 0.00000
134 -0.1228 0.00000
135 -0.0059 0.00000
136 -0.0408 0.00000
137 0.2990 0.00000
138 -0.0351 0.00000
139 -0.0071 0.00000
140 0.0371 0.00000
141 -0.0673 0.00000
142 0.0400 0.00000
143 0.0183 0.00000
144 0.0564 0.00000
145 0.0633 0.00000
146 0.0620 0.00000
147 0.0269 0.00000
148 0.0151 0.00000
149 0.4813 0.00000
150 -0.0618 0.00000
151 0.4905 0.00000
152 0.0333 0.00000
153 -0.3951 0.00000
154 0.3487 0.00000
155 -0.0070 0.00000
156 -0.0700 0.00000
157 -0.0358 0.00000
158 0.0667 0.00000
159 0.0423 0.00000
160 0.0496 0.00000
161 0.0946 0.00000
162 0.0909 0.00000
163 0.0233 0.00000
164 0.0332 0.00000
165 0.0714 0.00000
166 0.0210 0.00000
167 0.1915 0.00000
168 0.1009 0.00000
169 0.1026 0.00000
170 0.0384 0.00000
171 0.1020 0.00000
172 0.0297 0.00000
173 -0.0230 0.00000
174 0.0534 0.00000
175 0.1439 0.00000
176 -0.0353 0.00000
177 0.0525 0.00000
178 -0.0520 0.00000
179 0.0602 0.00000
180 0.0735 0.00000
181 0.2301 0.00000
182 0.0171 0.00000
183 0.0064 0.00000
184 0.0591 0.00000
185 -0.0220 0.00000
186 -0.0284 0.00000
187 0.0498 0.00000
188 -0.0500 0.00000
189 -0.0350 0.00000
190 0.2215 0.00000
191 0.0390 0.00000
192 0.1573 0.00000
193 0.0467 0.00000
194 0.1258 0.00000
195 0.0825 0.00000
196 0.0671 0.00000
197 0.0377 0.00000
198 0.0235 0.00000
199 -0.0883 0.00000
200 0.2580 0.00000
201 0.0661 0.00000
202 0.0966 0.00000
203 0.0057 0.00000
204 0.3025 0.00000
205 -0.1479 0.00000
206 0.0906 0.00000
207 0.1489 0.00000
208 0.0129 0.00000
209 0.3429 0.00000
210 0.0559 0.00000
211 -0.0787 0.00000
212 -0.0132 0.00000
213 0.0662 0.00000
214 0.3438 0.00000
215 0.2221 0.00000
216 0.0959 0.00000
217 0.1328 0.00000
218 0.1683 0.00000
219 0.1750 0.00000
220 0.1981 0.00000
221 0.1526 0.00000
222 0.0492 0.00000
223 -0.1481 0.00000
224 0.3952 0.00000
225 0.1623 0.00000
226 0.0911 0.00000
227 0.0002 0.00000
228 0.0033 0.00000
229 0.0846 0.00000
230 0.0350 0.00000
231 -0.2543 0.00000
232 -0.0021 0.00000
233 -0.0168 0.00000
234 -0.0410 0.00000
235 -0.1415 0.00000
236 -0.0535 0.00000
237 -0.0870 0.00000
238 -0.0540 0.00000
239 -0.0297 0.00000
240 -0.1229 0.00000
241 -0.0430 0.00000
242 -0.0374 0.00000
243 -0.0715 0.00000
244 0.0245 0.00000
245 0.0344 0.00000
246 0.0469 0.00000
247 -0.0413 0.00000
248 0.0598 0.00000
249 0.0066 0.00000
250 0.0452 0.00000
251 -0.0444 0.00000
252 0.2494 0.00000
253 -0.0091 0.00000
254 -0.0859 0.00000
255 -0.0113 0.00000
256 0.0774 0.00000
257 -0.0118 0.00000
258 0.0529 0.00000
259 0.0166 0.00000
260 -0.0377 0.00000
261 -0.0242 0.00000
262 -0.0147 0.00000
263 0.0286 0.00000
264 -0.0347 0.00000
265 -0.0106 0.00000
266 -0.0584 0.00000
267 0.0034 0.00000
268 -0.0105 0.00000
269 -0.2069 0.00000
270 -0.0422 0.00000
271 -0.0001 0.00000
272 -0.0214 0.00000
273 0.0020 0.00000
274 -0.0212 0.00000
275 -0.0933 0.00000
276 -0.0486 0.00000
277 -0.0640 0.00000
278 -0.0010 0.00000
279 -0.0844 0.00000
280 0.0368 0.00000
281 -0.0599 0.00000
282 -0.0616 0.00000
283 -0.1181 0.00000
284 -0.1172 0.00000
285 -0.1979 0.00000
286 -0.3072 0.00000
287 -0.0938 0.00000
288 -0.1355 0.00000
289 -0.0898 0.00000
290 0.0044 0.00000
291 -0.0345 0.00000
292 -0.0982 0.00000
293 -0.2336 0.00000
294 0.0147 0.00000
295 -0.4723 0.00000
296 -0.2788 0.00000
297 -0.0466 0.00000
298 -0.1531 0.00000
299 -0.1508 0.00000
300 -0.0647 0.00000
301 -0.0010 0.00000
302 0.0065 0.00000
303 -0.0828 0.00000
304 -0.0033 0.00000
305 -0.0023 0.00000
306 -0.1518 0.00000
307 0.0348 0.00000
308 0.0160 0.00000
309 -0.0137 0.00000
310 -0.0294 0.00000
311 -0.0487 0.00000
312 -0.1170 0.00000
313 0.0622 0.00000
314 0.0103 0.00000
315 0.0422 0.00000
316 -0.1033 0.00000
317 0.0412 0.00000
318 0.0144 0.00000
319 0.0043 0.00000
320 -0.0276 0.00000
321 0.0517 0.00000
322 0.0475 0.00000
323 0.0379 0.00000
324 0.0934 0.00000
325 0.0973 0.00000
326 0.0167 0.00000
327 0.0798 0.00000
328 -0.0174 0.00000
329 0.0875 0.00000
330 0.0072 0.00000
331 -0.0023 0.00000
332 0.1281 0.00000
333 -0.0156 0.00000
334 -0.0546 0.00000
335 0.0564 0.00000
336 -0.0227 0.00000
337 0.0390 0.00000
338 0.0296 0.00000
339 -0.0254 0.00000
340 0.0072 0.00000
341 0.0276 0.00000
342 0.0350 0.00000
343 0.0457 0.00000
344 -0.0000 0.00000
345 0.0552 0.00000
346 0.0335 0.00000
347 0.0387 0.00000
348 0.0506 0.00000
349 0.0239 0.00000
350 0.0353 0.00000
351 0.1225 0.00000
352 0.0084 0.00000
353 0.0529 0.00000
354 -0.0043 0.00000
355 0.0373 0.00000
356 -0.0077 0.00000
357 0.0601 0.00000
358 -0.0187 0.00000
359 -0.0019 0.00000
360 -0.0270 0.00000
361 0.0173 0.00000
362 0.0348 0.00000
363 0.0196 0.00000
364 -0.0199 0.00000
365 0.0144 0.00000
366 0.1789 0.00000
367 0.0006 0.00000
368 -0.0202 0.00000
369 0.0960 0.00000
370 0.0584 0.00000
371 0.0479 0.00000
372 0.0515 0.00000
373 0.0771 0.00000
374 -0.0211 0.00000
375 0.2206 0.00000
376 0.1162 0.00000
377 -0.0050 0.00000
378 -0.0240 0.00000
379 0.0332 0.00000
380 0.0360 0.00000
381 0.0639 0.00000
382 0.0664 0.00000
383 -0.0298 0.00000
384 0.0557 0.00000
385 0.0378 0.00000
386 0.1256 0.00000
387 0.0777 0.00000
388 0.0511 0.00000
389 0.1111 0.00000
390 -0.0022 0.00000
391 0.0386 0.00000
392 0.0648 0.00000
393 0.0930 0.00000
394 0.0112 0.00000
395 0.1330 0.00000
396 0.0760 0.00000
397 0.0779 0.00000
398 -0.0012 0.00000
399 0.0678 0.00000
400 -0.0387 0.00000
401 0.0323 0.00000
402 -0.0498 0.00000
403 0.2190 0.00000
404 0.1296 0.00000
405 -0.0534 0.00000
406 0.3878 0.00000
407 -0.0458 0.00000
408 0.0536 0.00000
409 0.0673 0.00000
410 0.1098 0.00000
411 0.0084 0.00000
412 0.0989 0.00000
413 0.0528 0.00000
414 0.0092 0.00000
415 0.2702 0.00000
416 0.0331 0.00000
417 0.0978 0.00000
418 0.0863 0.00000
419 0.1560 0.00000
420 0.0557 0.00000
421 0.0550 0.00000
422 0.0583 0.00000
423 0.0831 0.00000
424 -0.0606 0.00000
425 0.0744 0.00000
426 0.0423 0.00000
427 -0.0082 0.00000
428 0.0521 0.00000
429 0.0094 0.00000
430 0.0111 0.00000
431 0.0148 0.00000
432 0.0421 0.00000
433 0.0561 0.00000
434 -0.0017 0.00000
435 -0.0314 0.00000
436 -0.0161 0.00000
437 0.0184 0.00000
438 -0.0463 0.00000
439 -0.0034 0.00000
440 0.0050 0.00000
441 0.0276 0.00000
442 0.1110 0.00000
443 0.0467 0.00000
444 -0.0906 0.00000
445 -0.0188 0.00000
446 -0.0650 0.00000
447 0.0127 0.00000
448 -0.0985 0.00000
449 0.0394 0.00000
450 0.1426 0.00000
451 0.0113 0.00000
452 0.1247 0.00000
453 0.0726 0.00000
454 0.0207 0.00000
455 0.0202 0.00000
456 0.0105 0.00000
457 -0.0004 0.00000
458 0.0745 0.00000
459 0.0136 0.00000
460 -0.0070 0.00000
461 0.0117 0.00000
462 -0.0355 0.00000
463 0.0936 0.00000
464 0.0056 0.00000
465 0.0080 0.00000
466 0.0352 0.00000
467 0.0246 0.00000
468 0.0526 0.00000
469 0.0132 0.00000
470 -0.0448 0.00000
471 0.0261 0.00000
472 0.0523 0.00000
473 0.0788 0.00000
474 0.0082 0.00000
475 -0.1435 0.00000
476 0.0857 0.00000
477 0.1264 0.00000
478 0.0599 0.00000
479 0.1189 0.00000
480 -0.0822 0.00000
481 0.0318 0.00000
482 0.1413 0.00000
483 -0.0479 0.00000
484 0.0775 0.00000
485 0.0359 0.00000
486 -0.0095 0.00000
487 0.0136 0.00000
488 0.0299 0.00000
489 0.0263 0.00000
490 0.0154 0.00000
491 0.0149 0.00000
492 0.2081 0.00000
493 0.0098 0.00000
494 0.0468 0.00000
495 0.0811 0.00000
496 -0.0229 0.00000
497 0.0359 0.00000
498 0.0276 0.00000
499 -0.0048 0.00000
500 -0.2951 0.00000
501 0.0124 0.00000
502 0.0087 0.00000
503 -0.0666 0.00000
504 -0.0358 0.00000
505 -0.0037 0.00000
506 -0.0415 0.00000
507 0.1111 0.00000
508 -0.0376 0.00000
509 0.1016 0.00000
510 -0.0357 0.00000
511 -0.0254 0.00000
512 -0.0317 0.00000
513 0.2602 0.00000
514 -0.0628 0.00000
515 -0.0969 0.00000
516 0.0316 0.00000
517 -0.1189 0.00000
518 0.1199 0.00000
519 -0.0167 0.00000
520 0.0916 0.00000
521 0.0691 0.00000
522 0.1203 0.00000
523 -0.0484 0.00000
524 0.0533 0.00000
525 0.0235 0.00000
526 0.0527 0.00000
527 -0.0589 0.00000
528 0.1480 0.00000
529 0.1157 0.00000
530 0.0241 0.00000
531 0.0531 0.00000
532 0.0370 0.00000
533 -0.0527 0.00000
534 0.2176 0.00000
535 -0.0020 0.00000
536 0.0430 0.00000
537 0.0755 0.00000
538 0.0098 0.00000
539 0.0838 0.00000
540 -0.1312 0.00000
541 -0.0167 0.00000
542 0.0308 0.00000
543 -0.0282 0.00000
544 0.0490 0.00000
545 0.0035 0.00000
546 0.0388 0.00000
547 0.0129 0.00000
548 -0.1321 0.00000
549 0.0033 0.00000
550 0.0072 0.00000
551 -0.0279 0.00000
552 0.0276 0.00000
553 0.0060 0.00000
554 -0.0337 0.00000
555 0.0241 0.00000
556 -0.0212 0.00000
557 -0.0121 0.00000
558 -0.0069 0.00000
559 -0.0065 0.00000
560 -0.0244 0.00000
561 0.0246 0.00000
562 0.0025 0.00000
563 0.0017 0.00000
564 0.0593 0.00000
565 0.0327 0.00000
566 -0.0916 0.00000
567 -0.0019 0.00000
568 0.0921 0.00000
569 0.0531 0.00000
570 0.0801 0.00000
571 0.1752 0.00000
572 -0.0270 0.00000
573 0.0041 0.00000
574 -0.0017 0.00000
575 0.0298 0.00000
576 0.0799 0.00000
577 0.0737 0.00000
578 -0.0109 0.00000
579 0.0093 0.00000
580 0.0312 0.00000
581 0.0248 0.00000
582 0.0374 0.00000
583 0.0290 0.00000
584 0.0017 0.00000
585 0.0068 0.00000
586 0.0180 0.00000
587 0.0276 0.00000
588 0.0683 0.00000
589 -0.0557 0.00000
590 0.0328 0.00000
591 -0.0158 0.00000
592 0.0023 0.00000
593 -0.0199 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1717 0.00000
597 -0.1821 0.00000
598 -0.0195 0.00000
599 0.0469 0.00000
600 0.0989 0.00000
601 0.0061 0.00000
602 0.0209 0.00000
603 0.0512 0.00000
604 -0.1597 0.00000
605 -0.0205 0.00000
606 -0.0684 0.00000
607 0.0019 0.00000
608 -0.0600 0.00000
609 -0.0354 0.00000
610 -0.0460 0.00000
611 0.1145 0.00000
612 0.0055 0.00000
613 -0.0817 0.00000
614 -0.0486 0.00000
615 -0.0289 0.00000
616 0.0029 0.00000
617 -0.0461 0.00000
618 0.0618 0.00000
619 -0.0191 0.00000
620 -0.0199 0.00000
621 -0.1013 0.00000
622 -0.0538 0.00000
623 -0.0357 0.00000
624 0.0052 0.00000
625 -0.0481 0.00000
626 -0.0133 0.00000
627 0.0315 0.00000
628 -0.0256 0.00000
629 -0.1074 0.00000
630 -0.0260 0.00000
631 -0.0198 0.00000
632 -0.0505 0.00000
633 0.0188 0.00000
634 -0.0187 0.00000
635 -0.0528 0.00000
636 -0.1372 0.00000
637 -0.0927 0.00000
638 -0.0300 0.00000
639 -0.0187 0.00000
640 -0.0788 0.00000
641 -0.0624 0.00000
642 -0.0622 0.00000
643 -0.0939 0.00000
644 0.0153 0.00000
645 -0.0528 0.00000
646 -0.0652 0.00000
647 0.0098 0.00000
648 -0.0171 0.00000
649 -0.0046 0.00000
650 0.0004 0.00000
651 -0.0293 0.00000
652 -0.0015 0.00000
653 -0.0911 0.00000
654 -0.0295 0.00000
655 -0.0312 0.00000
656 -0.0653 0.00000
657 0.0056 0.00000
658 -0.0712 0.00000
659 -0.0030 0.00000
660 -0.0087 0.00000
661 -0.0253 0.00000
662 -0.0782 0.00000
663 0.0409 0.00000
664 -0.0171 0.00000
665 -0.0532 0.00000
666 0.0105 0.00000
667 -0.0319 0.00000
668 -0.1481 0.00000
669 -0.0147 0.00000
670 -0.0248 0.00000
671 -0.1073 0.00000
672 -0.0395 0.00000
673 -0.1252 0.00000
674 0.0069 0.00000
675 -0.0923 0.00000
676 0.0410 0.00000
677 -0.0835 0.00000
678 -0.1009 0.00000
679 0.0164 0.00000
680 -0.0092 0.00000
681 0.0234 0.00000
682 -0.0214 0.00000
683 -0.0120 0.00000
684 -0.0969 0.00000
685 -0.0297 0.00000
686 -0.0281 0.00000
687 0.0075 0.00000
688 -0.0135 0.00000
689 -0.0285 0.00000
690 0.0500 0.00000
691 -0.0470 0.00000
692 0.1140 0.00000
693 -0.0132 0.00000
694 0.0214 0.00000
695 -0.0536 0.00000
696 -0.0227 0.00000
697 0.0163 0.00000
698 0.0435 0.00000
699 -0.0161 0.00000
700 0.0158 0.00000
701 -0.0260 0.00000
702 -0.0403 0.00000
703 -0.0526 0.00000
704 0.0227 0.00000
705 -0.0383 0.00000
706 -0.0192 0.00000
707 0.0340 0.00000
708 -0.0010 0.00000
709 -0.0375 0.00000
710 -0.0318 0.00000
711 -0.0384 0.00000
712 0.0534 0.00000
713 0.0139 0.00000
714 0.0306 0.00000
715 -0.0047 0.00000
716 -0.0180 0.00000
717 -0.0046 0.00000
718 -0.0872 0.00000
719 0.0117 0.00000
720 0.0118 0.00000
721 -0.0294 0.00000
722 0.0269 0.00000
723 -0.0212 0.00000
724 -0.1006 0.00000
725 -0.1170 0.00000
726 -0.0154 0.00000
727 -0.0389 0.00000
728 0.0328 0.00000
729 -0.0069 0.00000
730 0.0112 0.00000
731 -0.0261 0.00000
732 -0.0074 0.00000
733 -0.1453 0.00000
734 0.0346 0.00000
735 -0.0281 0.00000
736 -0.0498 0.00000
737 -0.0562 0.00000
738 0.0961 0.00000
739 -0.0189 0.00000
740 -0.0172 0.00000
741 -0.0066 0.00000
742 0.0538 0.00000
743 0.0016 0.00000
744 0.0017 0.00000
745 -0.0469 0.00000
746 -0.0147 0.00000
747 -0.0167 0.00000
748 0.0309 0.00000
749 0.0092 0.00000
750 -0.0008 0.00000
751 -0.0433 0.00000
752 -0.0934 0.00000
753 -0.0124 0.00000
754 0.0247 0.00000
755 -0.0256 0.00000
756 -0.0482 0.00000
757 0.0014 0.00000
758 -0.0850 0.00000
759 0.0398 0.00000
760 -0.0047 0.00000
761 -0.0057 0.00000
762 0.0183 0.00000
763 -0.0454 0.00000
764 0.0441 0.00000
765 -0.0060 0.00000
766 -0.0337 0.00000
767 -0.0777 0.00000
768 -0.0319 0.00000
769 -0.0992 0.00000
770 -0.0133 0.00000
771 0.0756 0.00000
772 0.0424 0.00000
773 0.0485 0.00000
774 0.0344 0.00000
775 0.0195 0.00000
776 -0.0548 0.00000
777 0.0094 0.00000
778 -0.0218 0.00000
779 0.0039 0.00000
780 -0.0014 0.00000
k-point 5 : 0.5000 0.5000 0.0000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1167 0.00000
5 0.4077 0.00000
6 0.2316 0.00000
7 -0.0335 0.00000
8 0.0265 0.00000
9 0.8234 0.00000
10 0.4051 0.00000
11 -0.3746 0.00000
12 0.0898 0.00000
13 -0.0155 0.00000
14 -0.0437 0.00000
15 -0.7341 0.00000
16 0.1141 0.00000
17 0.1491 0.00000
18 0.2154 0.00000
19 -0.0012 0.00000
20 -0.0421 0.00000
21 -0.1287 0.00000
22 0.1176 0.00000
23 0.0718 0.00000
24 0.1419 0.00000
25 0.1667 0.00000
26 0.0779 0.00000
27 0.0622 0.00000
28 -0.0073 0.00000
29 -0.0869 0.00000
30 0.0543 0.00000
31 0.6571 0.00000
32 0.3024 0.00000
33 0.0377 0.00000
34 0.0863 0.00000
35 0.0230 0.00000
36 0.2830 0.00000
37 -0.0798 0.00000
38 0.1052 0.00000
39 0.0039 0.00000
40 0.2878 0.00000
41 0.0719 0.00000
42 -0.0350 0.00000
43 0.0566 0.00000
44 0.3166 0.00000
45 0.0163 0.00000
46 0.0670 0.00000
47 0.0922 0.00000
48 0.4428 0.00000
49 0.1637 0.00000
50 -0.0395 0.00000
51 0.0537 0.00000
52 0.2747 0.00000
53 -0.0051 0.00000
54 0.1707 0.00000
55 0.0442 0.00000
56 0.4742 0.00000
57 -0.0402 0.00000
58 -0.0874 0.00000
59 0.3201 0.00000
60 0.4415 0.00000
61 -0.0027 0.00000
62 -0.1011 0.00000
63 0.0944 0.00000
64 0.6706 0.00000
65 0.1308 0.00000
66 0.1543 0.00000
67 0.1846 0.00000
68 0.4773 0.00000
69 -0.0534 0.00000
70 0.1140 0.00000
71 0.0549 0.00000
72 0.0552 0.00000
73 0.0500 0.00000
74 0.0170 0.00000
75 0.0167 0.00000
76 0.0506 0.00000
77 0.0349 0.00000
78 0.0547 0.00000
79 0.1175 0.00000
80 -0.0209 0.00000
81 0.1010 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2469 0.00000
89 0.0029 0.00000
90 -0.1118 0.00000
91 -0.1433 0.00000
92 -0.1610 0.00000
93 0.0157 0.00000
94 0.0032 0.00000
95 0.0067 0.00000
96 0.0134 0.00000
97 -0.0580 0.00000
98 0.0043 0.00000
99 0.0667 0.00000
100 -0.2971 0.00000
101 -0.0609 0.00000
102 0.0838 0.00000
103 -0.1559 0.00000
104 0.0558 0.00000
105 -0.1321 0.00000
106 0.0047 0.00000
107 -0.6131 0.00000
108 0.0226 0.00000
109 -0.0321 0.00000
110 -0.5947 0.00000
111 -0.2213 0.00000
112 0.0048 0.00000
113 0.0673 0.00000
114 -0.1728 0.00000
115 -0.1811 0.00000
116 -0.6508 0.00000
117 -0.3039 0.00000
118 -0.0021 0.00000
119 0.0547 0.00000
120 0.0088 0.00000
121 0.0587 0.00000
122 -0.0641 0.00000
123 0.0426 0.00000
124 0.0943 0.00000
125 -0.0701 0.00000
126 -0.0716 0.00000
127 -0.0872 0.00000
128 -0.1402 0.00000
129 0.0861 0.00000
130 -0.0353 0.00000
131 0.0760 0.00000
132 -0.0504 0.00000
133 0.0610 0.00000
134 -0.1432 0.00000
135 -0.0063 0.00000
136 0.0146 0.00000
137 0.2192 0.00000
138 -0.0034 0.00000
139 -0.0059 0.00000
140 0.0314 0.00000
141 -0.0667 0.00000
142 0.0405 0.00000
143 0.0168 0.00000
144 0.0616 0.00000
145 0.0608 0.00000
146 0.0654 0.00000
147 0.0254 0.00000
148 -0.0720 0.00000
149 0.5826 0.00000
150 -0.0189 0.00000
151 0.3763 0.00000
152 -0.4900 0.00000
153 0.3593 0.00000
154 0.2200 0.00000
155 0.0788 0.00000
156 -0.1293 0.00000
157 -0.0191 0.00000
158 -0.0551 0.00000
159 0.0254 0.00000
160 0.0088 0.00000
161 0.1149 0.00000
162 0.0380 0.00000
163 0.2466 0.00000
164 0.1440 0.00000
165 0.0527 0.00000
166 0.0198 0.00000
167 0.0970 0.00000
168 0.0004 0.00000
169 -0.0311 0.00000
170 0.0818 0.00000
171 0.0307 0.00000
172 0.0348 0.00000
173 -0.0163 0.00000
174 0.2022 0.00000
175 0.0597 0.00000
176 -0.0379 0.00000
177 0.2019 0.00000
178 -0.0753 0.00000
179 0.0573 0.00000
180 0.0677 0.00000
181 0.1567 0.00000
182 -0.0160 0.00000
183 0.0014 0.00000
184 0.0890 0.00000
185 -0.0697 0.00000
186 0.0321 0.00000
187 0.3378 0.00000
188 -0.0158 0.00000
189 0.0120 0.00000
190 0.0379 0.00000
191 -0.0401 0.00000
192 0.1087 0.00000
193 0.1200 0.00000
194 0.0561 0.00000
195 0.0771 0.00000
196 0.0336 0.00000
197 0.0400 0.00000
198 -0.0154 0.00000
199 -0.0950 0.00000
200 0.0740 0.00000
201 0.0810 0.00000
202 0.2829 0.00000
203 -0.0874 0.00000
204 0.1324 0.00000
205 0.2089 0.00000
206 0.0496 0.00000
207 0.3418 0.00000
208 0.1030 0.00000
209 0.0272 0.00000
210 -0.0403 0.00000
211 0.1604 0.00000
212 -0.0272 0.00000
213 0.0127 0.00000
214 0.0393 0.00000
215 0.2743 0.00000
216 0.2551 0.00000
217 0.3670 0.00000
218 0.1780 0.00000
219 0.0971 0.00000
220 0.0107 0.00000
221 0.2179 0.00000
222 -0.0044 0.00000
223 0.0690 0.00000
224 0.2215 0.00000
225 0.2070 0.00000
226 0.0527 0.00000
227 0.0066 0.00000
228 0.0036 0.00000
229 0.0847 0.00000
230 0.0313 0.00000
231 -0.2555 0.00000
232 0.0015 0.00000
233 -0.0157 0.00000
234 -0.0421 0.00000
235 -0.1436 0.00000
236 -0.0549 0.00000
237 -0.0560 0.00000
238 -0.1000 0.00000
239 -0.0409 0.00000
240 -0.1067 0.00000
241 -0.0569 0.00000
242 -0.0046 0.00000
243 -0.0165 0.00000
244 0.0200 0.00000
245 0.0013 0.00000
246 -0.0314 0.00000
247 0.0215 0.00000
248 0.1417 0.00000
249 -0.0515 0.00000
250 -0.0178 0.00000
251 -0.1091 0.00000
252 0.4149 0.00000
253 -0.0562 0.00000
254 -0.0433 0.00000
255 -0.0204 0.00000
256 0.0198 0.00000
257 -0.0488 0.00000
258 0.0465 0.00000
259 -0.0008 0.00000
260 -0.0045 0.00000
261 0.0095 0.00000
262 -0.0237 0.00000
263 -0.0292 0.00000
264 -0.0007 0.00000
265 -0.0097 0.00000
266 -0.0850 0.00000
267 0.0275 0.00000
268 -0.0856 0.00000
269 0.0217 0.00000
270 -0.0956 0.00000
271 -0.0002 0.00000
272 -0.1023 0.00000
273 0.0387 0.00000
274 -0.1138 0.00000
275 0.0606 0.00000
276 -0.0229 0.00000
277 -0.1610 0.00000
278 -0.0857 0.00000
279 -0.0453 0.00000
280 -0.0484 0.00000
281 -0.1639 0.00000
282 -0.0416 0.00000
283 -0.0155 0.00000
284 -0.0274 0.00000
285 -0.0113 0.00000
286 -0.0463 0.00000
287 -0.0496 0.00000
288 -0.1675 0.00000
289 -0.1412 0.00000
290 -0.4524 0.00000
291 -0.0741 0.00000
292 -0.1058 0.00000
293 -0.5400 0.00000
294 -0.0370 0.00000
295 -0.1775 0.00000
296 -0.0976 0.00000
297 -0.1784 0.00000
298 -0.0470 0.00000
299 0.0202 0.00000
300 -0.0401 0.00000
301 -0.0692 0.00000
302 -0.0565 0.00000
303 0.0241 0.00000
304 -0.2638 0.00000
305 0.0111 0.00000
306 -0.0486 0.00000
307 -0.0203 0.00000
308 0.0115 0.00000
309 -0.0626 0.00000
310 0.0020 0.00000
311 -0.0347 0.00000
312 -0.0103 0.00000
313 -0.0120 0.00000
314 -0.0073 0.00000
315 0.0217 0.00000
316 0.0304 0.00000
317 0.0523 0.00000
318 0.0206 0.00000
319 -0.0174 0.00000
320 0.0035 0.00000
321 0.0145 0.00000
322 0.0096 0.00000
323 0.1505 0.00000
324 0.0489 0.00000
325 0.0346 0.00000
326 0.0388 0.00000
327 0.0440 0.00000
328 0.0709 0.00000
329 -0.0340 0.00000
330 -0.0246 0.00000
331 0.0209 0.00000
332 -0.0314 0.00000
333 -0.0189 0.00000
334 -0.0165 0.00000
335 -0.0352 0.00000
336 0.0237 0.00000
337 0.2783 0.00000
338 0.0694 0.00000
339 -0.0315 0.00000
340 -0.0383 0.00000
341 -0.0014 0.00000
342 0.0012 0.00000
343 -0.0068 0.00000
344 0.0155 0.00000
345 0.1461 0.00000
346 0.0049 0.00000
347 -0.0067 0.00000
348 0.0119 0.00000
349 0.0996 0.00000
350 -0.0606 0.00000
351 0.0433 0.00000
352 0.1398 0.00000
353 0.0346 0.00000
354 0.0756 0.00000
355 0.0587 0.00000
356 -0.0550 0.00000
357 0.0271 0.00000
358 0.0396 0.00000
359 -0.0217 0.00000
360 0.0203 0.00000
361 -0.0068 0.00000
362 -0.0381 0.00000
363 0.0678 0.00000
364 0.0781 0.00000
365 0.0093 0.00000
366 0.0575 0.00000
367 -0.0491 0.00000
368 0.1852 0.00000
369 0.0873 0.00000
370 0.0044 0.00000
371 0.0612 0.00000
372 -0.0145 0.00000
373 0.0185 0.00000
374 0.0241 0.00000
375 -0.0188 0.00000
376 0.1026 0.00000
377 0.0297 0.00000
378 0.1133 0.00000
379 0.0297 0.00000
380 0.0965 0.00000
381 0.0528 0.00000
382 0.0008 0.00000
383 0.0244 0.00000
384 0.0391 0.00000
385 0.0213 0.00000
386 -0.0279 0.00000
387 0.2411 0.00000
388 0.0708 0.00000
389 0.1933 0.00000
390 0.1610 0.00000
391 0.0615 0.00000
392 -0.1005 0.00000
393 -0.0002 0.00000
394 0.0457 0.00000
395 0.1345 0.00000
396 0.1069 0.00000
397 0.0261 0.00000
398 0.1342 0.00000
399 -0.0554 0.00000
400 0.0313 0.00000
401 0.0553 0.00000
402 0.0287 0.00000
403 0.0562 0.00000
404 -0.0038 0.00000
405 -0.0375 0.00000
406 0.1430 0.00000
407 0.3337 0.00000
408 0.1125 0.00000
409 0.0970 0.00000
410 0.3370 0.00000
411 0.1403 0.00000
412 -0.0401 0.00000
413 -0.0070 0.00000
414 0.0248 0.00000
415 0.0896 0.00000
416 0.0321 0.00000
417 0.0222 0.00000
418 0.0583 0.00000
419 0.0524 0.00000
420 0.0769 0.00000
421 0.0045 0.00000
422 0.1250 0.00000
423 0.0296 0.00000
424 0.0873 0.00000
425 0.0109 0.00000
426 -0.0441 0.00000
427 0.0535 0.00000
428 0.0069 0.00000
429 0.0277 0.00000
430 -0.0208 0.00000
431 -0.0150 0.00000
432 0.0748 0.00000
433 -0.0342 0.00000
434 0.0349 0.00000
435 -0.0364 0.00000
436 -0.0262 0.00000
437 0.0051 0.00000
438 0.0912 0.00000
439 0.0992 0.00000
440 -0.0591 0.00000
441 -0.0571 0.00000
442 -0.0449 0.00000
443 0.0157 0.00000
444 0.0583 0.00000
445 0.0152 0.00000
446 0.0455 0.00000
447 0.1167 0.00000
448 0.0534 0.00000
449 0.0141 0.00000
450 0.1313 0.00000
451 -0.0134 0.00000
452 0.1403 0.00000
453 0.1336 0.00000
454 0.0033 0.00000
455 0.0140 0.00000
456 0.0003 0.00000
457 -0.0325 0.00000
458 -0.0094 0.00000
459 0.0246 0.00000
460 0.0234 0.00000
461 -0.0282 0.00000
462 -0.0433 0.00000
463 -0.0208 0.00000
464 -0.0103 0.00000
465 -0.0148 0.00000
466 0.0021 0.00000
467 0.0790 0.00000
468 -0.1304 0.00000
469 0.1292 0.00000
470 0.0808 0.00000
471 0.0278 0.00000
472 0.0203 0.00000
473 0.0350 0.00000
474 -0.0159 0.00000
475 -0.0110 0.00000
476 0.0125 0.00000
477 0.0992 0.00000
478 0.0290 0.00000
479 0.0563 0.00000
480 0.0318 0.00000
481 -0.0061 0.00000
482 0.0548 0.00000
483 0.0647 0.00000
484 0.0615 0.00000
485 0.0116 0.00000
486 0.0465 0.00000
487 0.0261 0.00000
488 0.0270 0.00000
489 0.0127 0.00000
490 0.0102 0.00000
491 0.1639 0.00000
492 0.0178 0.00000
493 0.1111 0.00000
494 0.0027 0.00000
495 -0.0076 0.00000
496 -0.0130 0.00000
497 0.0838 0.00000
498 -0.0388 0.00000
499 0.0391 0.00000
500 -0.0613 0.00000
501 -0.0101 0.00000
502 -0.0927 0.00000
503 -0.1508 0.00000
504 0.0380 0.00000
505 0.0427 0.00000
506 -0.0353 0.00000
507 0.0090 0.00000
508 -0.0130 0.00000
509 0.0437 0.00000
510 -0.0115 0.00000
511 0.0800 0.00000
512 0.0335 0.00000
513 0.0031 0.00000
514 0.0912 0.00000
515 -0.0134 0.00000
516 0.0761 0.00000
517 0.0945 0.00000
518 -0.0099 0.00000
519 -0.0044 0.00000
520 0.0349 0.00000
521 -0.0341 0.00000
522 0.0573 0.00000
523 0.0677 0.00000
524 -0.0047 0.00000
525 0.0486 0.00000
526 -0.0136 0.00000
527 -0.0032 0.00000
528 0.0320 0.00000
529 -0.0710 0.00000
530 0.0213 0.00000
531 0.1619 0.00000
532 0.1322 0.00000
533 0.0331 0.00000
534 0.0102 0.00000
535 -0.0608 0.00000
536 0.0457 0.00000
537 0.0222 0.00000
538 0.0606 0.00000
539 0.0593 0.00000
540 0.0115 0.00000
541 -0.0027 0.00000
542 0.0662 0.00000
543 -0.0594 0.00000
544 -0.0172 0.00000
545 0.0015 0.00000
546 0.0593 0.00000
547 0.0687 0.00000
548 -0.1475 0.00000
549 -0.0227 0.00000
550 -0.0376 0.00000
551 -0.0071 0.00000
552 -0.0077 0.00000
553 -0.0099 0.00000
554 0.0181 0.00000
555 0.0120 0.00000
556 0.0181 0.00000
557 0.1014 0.00000
558 -0.0761 0.00000
559 -0.0008 0.00000
560 0.0017 0.00000
561 0.0011 0.00000
562 0.0237 0.00000
563 0.0023 0.00000
564 0.0212 0.00000
565 -0.0068 0.00000
566 -0.0717 0.00000
567 0.1472 0.00000
568 0.1003 0.00000
569 -0.0001 0.00000
570 0.0518 0.00000
571 -0.0026 0.00000
572 0.0010 0.00000
573 0.0479 0.00000
574 0.0501 0.00000
575 0.0707 0.00000
576 0.0591 0.00000
577 0.0533 0.00000
578 0.0458 0.00000
579 0.0266 0.00000
580 0.0403 0.00000
581 0.0158 0.00000
582 -0.0015 0.00000
583 0.0129 0.00000
584 0.0048 0.00000
585 0.0119 0.00000
586 0.0024 0.00000
587 0.0308 0.00000
588 0.0704 0.00000
589 -0.0558 0.00000
590 0.0559 0.00000
591 -0.0461 0.00000
592 0.0113 0.00000
593 -0.0215 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1719 0.00000
597 -0.1827 0.00000
598 -0.0422 0.00000
599 0.0429 0.00000
600 0.2268 0.00000
601 0.0519 0.00000
602 -0.1998 0.00000
603 -0.0819 0.00000
604 0.0678 0.00000
605 -0.0174 0.00000
606 0.0678 0.00000
607 -0.0568 0.00000
608 -0.0550 0.00000
609 -0.1187 0.00000
610 -0.1161 0.00000
611 -0.0090 0.00000
612 0.0539 0.00000
613 0.0530 0.00000
614 0.0005 0.00000
615 -0.0403 0.00000
616 -0.0119 0.00000
617 0.0429 0.00000
618 0.0218 0.00000
619 -0.0235 0.00000
620 -0.0396 0.00000
621 -0.0073 0.00000
622 -0.1147 0.00000
623 0.0113 0.00000
624 -0.1076 0.00000
625 -0.0803 0.00000
626 -0.0942 0.00000
627 -0.0294 0.00000
628 -0.0064 0.00000
629 -0.0607 0.00000
630 -0.0609 0.00000
631 -0.0502 0.00000
632 -0.0441 0.00000
633 0.0008 0.00000
634 -0.0247 0.00000
635 0.0099 0.00000
636 -0.0576 0.00000
637 0.0123 0.00000
638 -0.0902 0.00000
639 -0.0588 0.00000
640 0.0017 0.00000
641 -0.0519 0.00000
642 0.0209 0.00000
643 -0.0062 0.00000
644 -0.1227 0.00000
645 -0.0486 0.00000
646 -0.0045 0.00000
647 -0.0333 0.00000
648 -0.0649 0.00000
649 -0.0543 0.00000
650 -0.0701 0.00000
651 -0.0525 0.00000
652 0.0181 0.00000
653 -0.0093 0.00000
654 -0.0103 0.00000
655 -0.0399 0.00000
656 -0.0792 0.00000
657 -0.0416 0.00000
658 0.0100 0.00000
659 -0.0832 0.00000
660 -0.0204 0.00000
661 -0.0546 0.00000
662 -0.0770 0.00000
663 -0.0934 0.00000
664 0.0081 0.00000
665 -0.0217 0.00000
666 -0.0057 0.00000
667 -0.0394 0.00000
668 -0.0597 0.00000
669 -0.1252 0.00000
670 -0.0202 0.00000
671 0.0206 0.00000
672 0.0041 0.00000
673 0.0148 0.00000
674 -0.0096 0.00000
675 -0.0115 0.00000
676 -0.0236 0.00000
677 -0.0264 0.00000
678 -0.0439 0.00000
679 -0.0293 0.00000
680 -0.0378 0.00000
681 0.0409 0.00000
682 -0.0297 0.00000
683 -0.0556 0.00000
684 -0.0537 0.00000
685 -0.0294 0.00000
686 -0.1163 0.00000
687 -0.0304 0.00000
688 -0.0438 0.00000
689 -0.0229 0.00000
690 0.0459 0.00000
691 0.0095 0.00000
692 -0.0270 0.00000
693 -0.0093 0.00000
694 -0.0159 0.00000
695 -0.0433 0.00000
696 -0.0436 0.00000
697 0.0030 0.00000
698 -0.0006 0.00000
699 0.0298 0.00000
700 0.0352 0.00000
701 -0.0196 0.00000
702 -0.0030 0.00000
703 0.0270 0.00000
704 -0.1186 0.00000
705 -0.0027 0.00000
706 0.0457 0.00000
707 0.0757 0.00000
708 0.0016 0.00000
709 -0.0869 0.00000
710 -0.0386 0.00000
711 -0.0031 0.00000
712 -0.0294 0.00000
713 -0.0917 0.00000
714 0.0373 0.00000
715 -0.0060 0.00000
716 -0.0314 0.00000
717 -0.0329 0.00000
718 0.0084 0.00000
719 -0.0012 0.00000
720 -0.0059 0.00000
721 -0.0071 0.00000
722 -0.0351 0.00000
723 -0.0715 0.00000
724 -0.0134 0.00000
725 -0.0412 0.00000
726 0.0179 0.00000
727 -0.1196 0.00000
728 -0.0925 0.00000
729 0.0167 0.00000
730 0.0836 0.00000
731 0.0584 0.00000
732 -0.0748 0.00000
733 0.0090 0.00000
734 -0.0107 0.00000
735 -0.0185 0.00000
736 0.0040 0.00000
737 -0.0278 0.00000
738 -0.0197 0.00000
739 0.0091 0.00000
740 -0.0246 0.00000
741 -0.0463 0.00000
742 0.0175 0.00000
743 0.0039 0.00000
744 0.0255 0.00000
745 -0.0618 0.00000
746 0.0958 0.00000
747 0.0102 0.00000
748 -0.0211 0.00000
749 -0.1006 0.00000
750 -0.0625 0.00000
751 0.0033 0.00000
752 -0.0115 0.00000
753 0.0109 0.00000
754 -0.0067 0.00000
755 -0.0467 0.00000
756 -0.0673 0.00000
757 0.0809 0.00000
758 -0.0022 0.00000
759 -0.0301 0.00000
760 -0.1006 0.00000
761 -0.0540 0.00000
762 -0.0324 0.00000
763 0.0100 0.00000
764 0.0630 0.00000
765 -0.0221 0.00000
766 0.1124 0.00000
767 0.0304 0.00000
768 -0.0413 0.00000
769 0.0064 0.00000
770 0.0262 0.00000
771 0.0023 0.00000
772 -0.0219 0.00000
773 -0.0239 0.00000
774 0.0126 0.00000
775 0.0038 0.00000
776 0.0169 0.00000
777 -0.0274 0.00000
778 0.0334 0.00000
779 -0.0005 0.00000
780 0.0074 0.00000
k-point 6 : 0.0000 0.5000 0.5000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1062 0.00000
5 0.3969 0.00000
6 0.2303 0.00000
7 -0.0306 0.00000
8 0.0249 0.00000
9 0.8187 0.00000
10 0.4109 0.00000
11 -0.3702 0.00000
12 0.0837 0.00000
13 -0.0148 0.00000
14 -0.0436 0.00000
15 -0.7336 0.00000
16 0.1316 0.00000
17 0.1827 0.00000
18 0.1521 0.00000
19 0.0124 0.00000
20 -0.0409 0.00000
21 -0.1290 0.00000
22 0.1138 0.00000
23 0.0727 0.00000
24 0.1295 0.00000
25 0.1820 0.00000
26 0.0828 0.00000
27 0.0698 0.00000
28 0.0146 0.00000
29 -0.0095 0.00000
30 0.0462 0.00000
31 0.5473 0.00000
32 0.3414 0.00000
33 0.0363 0.00000
34 0.0692 0.00000
35 0.0261 0.00000
36 0.2265 0.00000
37 -0.0393 0.00000
38 0.1079 0.00000
39 0.0036 0.00000
40 0.2976 0.00000
41 0.0458 0.00000
42 -0.0329 0.00000
43 0.0554 0.00000
44 0.1428 0.00000
45 0.2180 0.00000
46 0.0683 0.00000
47 0.0677 0.00000
48 0.4132 0.00000
49 0.1287 0.00000
50 -0.0164 0.00000
51 0.0834 0.00000
52 0.3104 0.00000
53 -0.0060 0.00000
54 0.0210 0.00000
55 0.1296 0.00000
56 0.5346 0.00000
57 -0.0378 0.00000
58 -0.0648 0.00000
59 0.2431 0.00000
60 0.4657 0.00000
61 -0.1753 0.00000
62 0.0512 0.00000
63 0.2422 0.00000
64 0.7776 0.00000
65 0.1236 0.00000
66 0.0683 0.00000
67 0.0224 0.00000
68 0.4428 0.00000
69 0.0238 0.00000
70 0.0398 0.00000
71 0.1136 0.00000
72 0.0554 0.00000
73 0.0542 0.00000
74 0.0205 0.00000
75 0.0140 0.00000
76 0.0567 0.00000
77 0.0312 0.00000
78 0.0466 0.00000
79 0.1241 0.00000
80 -0.0206 0.00000
81 0.1013 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2470 0.00000
89 0.0020 0.00000
90 -0.1116 0.00000
91 -0.1566 0.00000
92 -0.1435 0.00000
93 0.0276 0.00000
94 0.0310 0.00000
95 0.0330 0.00000
96 -0.0845 0.00000
97 -0.0957 0.00000
98 -0.0804 0.00000
99 0.0777 0.00000
100 -0.1530 0.00000
101 -0.0651 0.00000
102 0.0567 0.00000
103 -0.0750 0.00000
104 -0.0102 0.00000
105 -0.0914 0.00000
106 0.0346 0.00000
107 -1.0439 0.00000
108 -0.0286 0.00000
109 0.0199 0.00000
110 -0.0880 0.00000
111 -0.2949 0.00000
112 0.0479 0.00000
113 0.0200 0.00000
114 -0.0826 0.00000
115 -0.2314 0.00000
116 -0.7272 0.00000
117 -0.3291 0.00000
118 0.0033 0.00000
119 0.0103 0.00000
120 0.0449 0.00000
121 0.0791 0.00000
122 -0.0731 0.00000
123 0.0382 0.00000
124 0.0913 0.00000
125 -0.0737 0.00000
126 -0.0833 0.00000
127 -0.0696 0.00000
128 -0.1437 0.00000
129 0.0976 0.00000
130 -0.0276 0.00000
131 0.0363 0.00000
132 0.0060 0.00000
133 0.0201 0.00000
134 -0.1283 0.00000
135 -0.0064 0.00000
136 -0.0404 0.00000
137 0.2989 0.00000
138 -0.0348 0.00000
139 -0.0043 0.00000
140 0.0287 0.00000
141 -0.0672 0.00000
142 0.0405 0.00000
143 0.0170 0.00000
144 0.0623 0.00000
145 0.0620 0.00000
146 0.0620 0.00000
147 0.0268 0.00000
148 -0.0338 0.00000
149 0.5442 0.00000
150 -0.0640 0.00000
151 0.5781 0.00000
152 0.0245 0.00000
153 -0.3672 0.00000
154 0.2187 0.00000
155 0.1082 0.00000
156 -0.2153 0.00000
157 0.0066 0.00000
158 -0.0106 0.00000
159 0.0925 0.00000
160 -0.0578 0.00000
161 0.1098 0.00000
162 0.1336 0.00000
163 0.0677 0.00000
164 0.0917 0.00000
165 0.1746 0.00000
166 0.0409 0.00000
167 0.1378 0.00000
168 -0.0512 0.00000
169 0.0763 0.00000
170 0.0617 0.00000
171 0.0208 0.00000
172 0.1009 0.00000
173 0.2159 0.00000
174 -0.0680 0.00000
175 -0.0028 0.00000
176 -0.0145 0.00000
177 -0.0547 0.00000
178 0.1339 0.00000
179 0.0234 0.00000
180 0.2389 0.00000
181 0.0166 0.00000
182 0.0587 0.00000
183 0.0570 0.00000
184 0.0288 0.00000
185 -0.0415 0.00000
186 0.0289 0.00000
187 0.0281 0.00000
188 0.1363 0.00000
189 -0.0327 0.00000
190 0.0774 0.00000
191 0.0175 0.00000
192 0.0547 0.00000
193 0.1044 0.00000
194 0.1111 0.00000
195 0.1092 0.00000
196 0.0590 0.00000
197 0.0935 0.00000
198 -0.0133 0.00000
199 -0.0565 0.00000
200 0.0155 0.00000
201 0.0852 0.00000
202 0.0570 0.00000
203 0.4239 0.00000
204 -0.1358 0.00000
205 0.1780 0.00000
206 0.2045 0.00000
207 0.1851 0.00000
208 0.0196 0.00000
209 0.0276 0.00000
210 0.0375 0.00000
211 -0.0066 0.00000
212 0.0093 0.00000
213 0.1704 0.00000
214 0.1006 0.00000
215 0.3087 0.00000
216 0.3261 0.00000
217 0.1214 0.00000
218 0.1040 0.00000
219 0.1363 0.00000
220 0.1229 0.00000
221 0.1742 0.00000
222 0.0599 0.00000
223 -0.1191 0.00000
224 0.3710 0.00000
225 0.1396 0.00000
226 0.0940 0.00000
227 0.0020 0.00000
228 0.0017 0.00000
229 0.0891 0.00000
230 0.0348 0.00000
231 -0.2553 0.00000
232 0.0033 0.00000
233 -0.0169 0.00000
234 -0.0415 0.00000
235 -0.1570 0.00000
236 -0.0482 0.00000
237 -0.0707 0.00000
238 -0.0715 0.00000
239 -0.0116 0.00000
240 -0.1285 0.00000
241 -0.0414 0.00000
242 -0.0458 0.00000
243 -0.0285 0.00000
244 -0.0229 0.00000
245 0.0477 0.00000
246 0.0286 0.00000
247 -0.0413 0.00000
248 0.0883 0.00000
249 -0.0071 0.00000
250 0.0517 0.00000
251 -0.0519 0.00000
252 0.2624 0.00000
253 -0.0398 0.00000
254 0.0312 0.00000
255 -0.0495 0.00000
256 0.0367 0.00000
257 -0.0572 0.00000
258 0.0274 0.00000
259 0.0115 0.00000
260 0.0099 0.00000
261 -0.0119 0.00000
262 -0.0070 0.00000
263 -0.0042 0.00000
264 0.0275 0.00000
265 -0.1069 0.00000
266 -0.0133 0.00000
267 0.0026 0.00000
268 -0.0792 0.00000
269 -0.0437 0.00000
270 -0.0024 0.00000
271 -0.0934 0.00000
272 -0.0580 0.00000
273 0.0074 0.00000
274 0.0019 0.00000
275 -0.0668 0.00000
276 -0.0676 0.00000
277 -0.0806 0.00000
278 -0.0221 0.00000
279 -0.0356 0.00000
280 -0.0316 0.00000
281 0.0074 0.00000
282 -0.0791 0.00000
283 -0.1076 0.00000
284 -0.1945 0.00000
285 -0.2242 0.00000
286 0.0267 0.00000
287 -0.1800 0.00000
288 -0.2888 0.00000
289 -0.0697 0.00000
290 -0.0516 0.00000
291 -0.0933 0.00000
292 -0.4049 0.00000
293 0.0098 0.00000
294 -0.5241 0.00000
295 0.0192 0.00000
296 -0.0034 0.00000
297 0.0212 0.00000
298 -0.3930 0.00000
299 -0.0322 0.00000
300 0.0262 0.00000
301 -0.2014 0.00000
302 -0.0093 0.00000
303 -0.0012 0.00000
304 -0.0760 0.00000
305 -0.0128 0.00000
306 0.0290 0.00000
307 -0.0201 0.00000
308 -0.0660 0.00000
309 0.0039 0.00000
310 -0.0794 0.00000
311 0.0295 0.00000
312 -0.0055 0.00000
313 -0.0145 0.00000
314 0.0150 0.00000
315 0.0446 0.00000
316 -0.0979 0.00000
317 0.0207 0.00000
318 0.0287 0.00000
319 0.0212 0.00000
320 0.0060 0.00000
321 0.0023 0.00000
322 0.0127 0.00000
323 -0.0029 0.00000
324 0.1829 0.00000
325 0.0478 0.00000
326 0.0484 0.00000
327 0.0516 0.00000
328 0.1085 0.00000
329 -0.0134 0.00000
330 0.0119 0.00000
331 -0.0013 0.00000
332 -0.0307 0.00000
333 0.0261 0.00000
334 0.0316 0.00000
335 0.0763 0.00000
336 -0.0384 0.00000
337 0.0663 0.00000
338 0.0139 0.00000
339 -0.0339 0.00000
340 -0.0125 0.00000
341 0.0045 0.00000
342 0.0306 0.00000
343 0.0240 0.00000
344 0.0317 0.00000
345 0.0231 0.00000
346 -0.0018 0.00000
347 0.0377 0.00000
348 0.1100 0.00000
349 -0.0260 0.00000
350 0.0363 0.00000
351 0.0562 0.00000
352 0.0979 0.00000
353 0.0586 0.00000
354 0.0364 0.00000
355 0.0440 0.00000
356 0.0164 0.00000
357 0.0104 0.00000
358 -0.0407 0.00000
359 0.0108 0.00000
360 0.0802 0.00000
361 0.0101 0.00000
362 0.0362 0.00000
363 -0.0120 0.00000
364 0.0343 0.00000
365 -0.0446 0.00000
366 0.0712 0.00000
367 0.0098 0.00000
368 0.0307 0.00000
369 0.1476 0.00000
370 0.0396 0.00000
371 0.0511 0.00000
372 0.0593 0.00000
373 0.0416 0.00000
374 0.0522 0.00000
375 0.1249 0.00000
376 0.0794 0.00000
377 0.0032 0.00000
378 0.0718 0.00000
379 0.0185 0.00000
380 0.1049 0.00000
381 0.0136 0.00000
382 -0.0094 0.00000
383 0.1357 0.00000
384 0.0087 0.00000
385 -0.0066 0.00000
386 0.0667 0.00000
387 0.0646 0.00000
388 0.1299 0.00000
389 -0.0303 0.00000
390 0.0901 0.00000
391 0.0257 0.00000
392 0.0024 0.00000
393 0.0865 0.00000
394 0.0688 0.00000
395 0.0845 0.00000
396 0.0532 0.00000
397 0.0852 0.00000
398 0.0527 0.00000
399 0.0305 0.00000
400 0.0370 0.00000
401 0.1145 0.00000
402 -0.0398 0.00000
403 0.0445 0.00000
404 -0.0004 0.00000
405 0.5381 0.00000
406 0.0408 0.00000
407 0.0521 0.00000
408 0.0210 0.00000
409 0.0289 0.00000
410 -0.0810 0.00000
411 0.2277 0.00000
412 0.1730 0.00000
413 0.0246 0.00000
414 0.1461 0.00000
415 0.0797 0.00000
416 0.0211 0.00000
417 -0.0407 0.00000
418 0.0677 0.00000
419 0.0327 0.00000
420 0.0818 0.00000
421 0.2961 0.00000
422 0.0040 0.00000
423 0.0043 0.00000
424 0.0481 0.00000
425 0.0788 0.00000
426 0.0036 0.00000
427 0.0245 0.00000
428 -0.0431 0.00000
429 0.0260 0.00000
430 0.0040 0.00000
431 -0.0572 0.00000
432 0.0402 0.00000
433 0.0239 0.00000
434 0.0447 0.00000
435 0.0046 0.00000
436 0.0639 0.00000
437 -0.0261 0.00000
438 0.0129 0.00000
439 -0.0183 0.00000
440 -0.0676 0.00000
441 0.0670 0.00000
442 0.0826 0.00000
443 -0.0092 0.00000
444 -0.0061 0.00000
445 0.0136 0.00000
446 -0.0414 0.00000
447 -0.0236 0.00000
448 -0.0118 0.00000
449 0.2138 0.00000
450 -0.0297 0.00000
451 0.0519 0.00000
452 0.0138 0.00000
453 0.0004 0.00000
454 0.0427 0.00000
455 0.0888 0.00000
456 0.0315 0.00000
457 -0.0345 0.00000
458 0.1046 0.00000
459 -0.0087 0.00000
460 -0.0320 0.00000
461 -0.0016 0.00000
462 -0.1337 0.00000
463 0.0369 0.00000
464 0.0588 0.00000
465 0.0980 0.00000
466 -0.0302 0.00000
467 -0.0148 0.00000
468 -0.0424 0.00000
469 0.0175 0.00000
470 0.1128 0.00000
471 0.0950 0.00000
472 0.0897 0.00000
473 -0.0103 0.00000
474 -0.0076 0.00000
475 -0.0037 0.00000
476 0.0571 0.00000
477 0.0024 0.00000
478 0.0475 0.00000
479 -0.0065 0.00000
480 0.1684 0.00000
481 0.1438 0.00000
482 0.0465 0.00000
483 0.0039 0.00000
484 -0.0327 0.00000
485 -0.0309 0.00000
486 0.0800 0.00000
487 0.0097 0.00000
488 0.2116 0.00000
489 0.0311 0.00000
490 0.1981 0.00000
491 0.0078 0.00000
492 0.0361 0.00000
493 -0.0108 0.00000
494 0.0758 0.00000
495 0.1581 0.00000
496 -0.0883 0.00000
497 -0.3006 0.00000
498 -0.0047 0.00000
499 -0.0130 0.00000
500 -0.0673 0.00000
501 0.0501 0.00000
502 0.0011 0.00000
503 0.0609 0.00000
504 -0.1152 0.00000
505 0.0396 0.00000
506 0.0246 0.00000
507 -0.0589 0.00000
508 -0.1145 0.00000
509 -0.0148 0.00000
510 0.0178 0.00000
511 -0.0219 0.00000
512 -0.0621 0.00000
513 -0.1016 0.00000
514 0.2462 0.00000
515 -0.0504 0.00000
516 -0.0901 0.00000
517 0.2270 0.00000
518 0.0673 0.00000
519 0.0353 0.00000
520 0.0391 0.00000
521 0.1531 0.00000
522 -0.0565 0.00000
523 -0.0279 0.00000
524 0.0655 0.00000
525 0.0409 0.00000
526 0.0458 0.00000
527 -0.0298 0.00000
528 0.0836 0.00000
529 -0.0596 0.00000
530 0.0937 0.00000
531 0.1160 0.00000
532 0.0323 0.00000
533 0.0658 0.00000
534 0.0177 0.00000
535 0.0216 0.00000
536 0.0863 0.00000
537 -0.0299 0.00000
538 0.0388 0.00000
539 0.0249 0.00000
540 0.0047 0.00000
541 0.1052 0.00000
542 -0.1182 0.00000
543 0.1067 0.00000
544 0.0246 0.00000
545 0.0361 0.00000
546 -0.0170 0.00000
547 0.0244 0.00000
548 -0.0733 0.00000
549 -0.0921 0.00000
550 -0.0023 0.00000
551 -0.0310 0.00000
552 0.0559 0.00000
553 -0.0419 0.00000
554 0.0338 0.00000
555 -0.0307 0.00000
556 0.0111 0.00000
557 0.0412 0.00000
558 -0.0436 0.00000
559 0.0022 0.00000
560 -0.0053 0.00000
561 -0.0081 0.00000
562 -0.0018 0.00000
563 0.0385 0.00000
564 0.0093 0.00000
565 0.0734 0.00000
566 -0.0776 0.00000
567 -0.0280 0.00000
568 0.1050 0.00000
569 0.0733 0.00000
570 -0.0066 0.00000
571 0.1058 0.00000
572 0.0334 0.00000
573 0.0192 0.00000
574 0.0709 0.00000
575 0.0350 0.00000
576 0.0960 0.00000
577 -0.0058 0.00000
578 0.0296 0.00000
579 0.0617 0.00000
580 0.0118 0.00000
581 0.0130 0.00000
582 -0.0005 0.00000
583 0.0350 0.00000
584 0.0054 0.00000
585 0.0044 0.00000
586 0.0098 0.00000
587 0.0245 0.00000
588 0.0709 0.00000
589 -0.0561 0.00000
590 0.0309 0.00000
591 -0.0155 0.00000
592 0.0045 0.00000
593 -0.0193 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1718 0.00000
597 -0.1821 0.00000
598 -0.0215 0.00000
599 0.0422 0.00000
600 0.0594 0.00000
601 0.0882 0.00000
602 -0.0070 0.00000
603 0.0517 0.00000
604 -0.0848 0.00000
605 -0.1099 0.00000
606 0.0148 0.00000
607 -0.0507 0.00000
608 -0.0524 0.00000
609 -0.0396 0.00000
610 -0.0461 0.00000
611 0.0234 0.00000
612 -0.0448 0.00000
613 0.0060 0.00000
614 -0.0168 0.00000
615 -0.0392 0.00000
616 0.0210 0.00000
617 -0.0015 0.00000
618 -0.0336 0.00000
619 -0.0124 0.00000
620 -0.0762 0.00000
621 -0.0719 0.00000
622 -0.0138 0.00000
623 0.0301 0.00000
624 -0.1214 0.00000
625 0.0118 0.00000
626 -0.0194 0.00000
627 0.0194 0.00000
628 -0.0838 0.00000
629 -0.0034 0.00000
630 -0.0720 0.00000
631 -0.0089 0.00000
632 0.0088 0.00000
633 -0.0536 0.00000
634 -0.0700 0.00000
635 -0.0893 0.00000
636 -0.0776 0.00000
637 0.0079 0.00000
638 -0.0521 0.00000
639 -0.0447 0.00000
640 -0.0276 0.00000
641 -0.0237 0.00000
642 -0.1106 0.00000
643 -0.0705 0.00000
644 -0.0609 0.00000
645 -0.0284 0.00000
646 0.0000 0.00000
647 -0.0072 0.00000
648 0.0022 0.00000
649 -0.0167 0.00000
650 -0.0577 0.00000
651 0.0105 0.00000
652 -0.0729 0.00000
653 -0.0360 0.00000
654 -0.0557 0.00000
655 0.0327 0.00000
656 -0.0154 0.00000
657 -0.0160 0.00000
658 0.0001 0.00000
659 -0.0978 0.00000
660 -0.0774 0.00000
661 -0.0082 0.00000
662 -0.0290 0.00000
663 -0.0447 0.00000
664 -0.1086 0.00000
665 -0.0005 0.00000
666 -0.0054 0.00000
667 -0.0299 0.00000
668 0.0167 0.00000
669 0.0202 0.00000
670 -0.0456 0.00000
671 -0.0389 0.00000
672 -0.0334 0.00000
673 -0.0805 0.00000
674 -0.0128 0.00000
675 -0.0406 0.00000
676 -0.0058 0.00000
677 -0.1152 0.00000
678 -0.0335 0.00000
679 -0.1294 0.00000
680 -0.0503 0.00000
681 0.0085 0.00000
682 0.0038 0.00000
683 -0.0793 0.00000
684 -0.0633 0.00000
685 0.0090 0.00000
686 -0.0062 0.00000
687 0.0037 0.00000
688 0.0124 0.00000
689 -0.0146 0.00000
690 -0.0259 0.00000
691 -0.0020 0.00000
692 0.0093 0.00000
693 0.0183 0.00000
694 -0.0221 0.00000
695 -0.0883 0.00000
696 -0.0566 0.00000
697 0.0203 0.00000
698 0.0461 0.00000
699 -0.0321 0.00000
700 -0.0119 0.00000
701 -0.0423 0.00000
702 0.0428 0.00000
703 0.0102 0.00000
704 -0.0009 0.00000
705 0.0292 0.00000
706 -0.0609 0.00000
707 -0.0756 0.00000
708 0.0342 0.00000
709 -0.0739 0.00000
710 -0.0664 0.00000
711 0.0242 0.00000
712 -0.0061 0.00000
713 0.0468 0.00000
714 -0.0111 0.00000
715 0.0850 0.00000
716 -0.0223 0.00000
717 -0.0057 0.00000
718 -0.0837 0.00000
719 -0.0454 0.00000
720 -0.0691 0.00000
721 0.0193 0.00000
722 0.0440 0.00000
723 -0.0248 0.00000
724 0.0142 0.00000
725 -0.1052 0.00000
726 -0.0862 0.00000
727 -0.0375 0.00000
728 0.0137 0.00000
729 -0.0698 0.00000
730 0.0828 0.00000
731 -0.0527 0.00000
732 0.0870 0.00000
733 -0.0085 0.00000
734 -0.0295 0.00000
735 0.0839 0.00000
736 0.0298 0.00000
737 0.0003 0.00000
738 -0.0696 0.00000
739 0.0443 0.00000
740 -0.1183 0.00000
741 -0.0161 0.00000
742 -0.0207 0.00000
743 -0.0650 0.00000
744 -0.0076 0.00000
745 -0.0438 0.00000
746 -0.0420 0.00000
747 -0.0254 0.00000
748 -0.0200 0.00000
749 -0.0715 0.00000
750 -0.0229 0.00000
751 0.0095 0.00000
752 0.0122 0.00000
753 -0.0017 0.00000
754 0.0308 0.00000
755 -0.0314 0.00000
756 -0.0060 0.00000
757 -0.0121 0.00000
758 0.0459 0.00000
759 0.0332 0.00000
760 -0.0057 0.00000
761 -0.0302 0.00000
762 0.0243 0.00000
763 -0.0169 0.00000
764 0.0150 0.00000
765 -0.0951 0.00000
766 0.0023 0.00000
767 0.0398 0.00000
768 0.0057 0.00000
769 0.0174 0.00000
770 -0.0304 0.00000
771 -0.0640 0.00000
772 0.0726 0.00000
773 -0.0164 0.00000
774 -0.0705 0.00000
775 -0.0426 0.00000
776 0.0577 0.00000
777 0.0255 0.00000
778 -0.0065 0.00000
779 -0.0005 0.00000
780 -0.0435 0.00000
k-point 7 : 0.5000 0.0000 0.5000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1251 0.00000
5 0.4168 0.00000
6 0.2284 0.00000
7 -0.0312 0.00000
8 0.0263 0.00000
9 0.8229 0.00000
10 0.4101 0.00000
11 -0.3744 0.00000
12 0.0842 0.00000
13 -0.0148 0.00000
14 -0.0436 0.00000
15 -0.7343 0.00000
16 0.1615 0.00000
17 0.0724 0.00000
18 0.2213 0.00000
19 0.0434 0.00000
20 -0.0623 0.00000
21 -0.1286 0.00000
22 0.1140 0.00000
23 0.0647 0.00000
24 0.1419 0.00000
25 0.1655 0.00000
26 0.0746 0.00000
27 0.0725 0.00000
28 0.1003 0.00000
29 -0.0852 0.00000
30 0.0182 0.00000
31 0.6157 0.00000
32 0.2790 0.00000
33 0.0437 0.00000
34 0.0589 0.00000
35 0.0325 0.00000
36 0.2773 0.00000
37 -0.1350 0.00000
38 0.1353 0.00000
39 0.3494 0.00000
40 0.0042 0.00000
41 0.0591 0.00000
42 -0.0988 0.00000
43 0.0531 0.00000
44 0.0151 0.00000
45 0.4264 0.00000
46 0.1591 0.00000
47 0.0423 0.00000
48 0.2492 0.00000
49 0.0345 0.00000
50 0.2435 0.00000
51 0.0593 0.00000
52 0.1962 0.00000
53 -0.0083 0.00000
54 0.1387 0.00000
55 0.0542 0.00000
56 0.5117 0.00000
57 -0.0370 0.00000
58 -0.0800 0.00000
59 0.3428 0.00000
60 0.2593 0.00000
61 -0.0731 0.00000
62 0.0898 0.00000
63 0.0578 0.00000
64 0.7882 0.00000
65 0.1702 0.00000
66 0.0728 0.00000
67 0.1643 0.00000
68 0.4860 0.00000
69 -0.0506 0.00000
70 0.1141 0.00000
71 0.0589 0.00000
72 0.0552 0.00000
73 0.0504 0.00000
74 0.0164 0.00000
75 0.0188 0.00000
76 0.0515 0.00000
77 0.0321 0.00000
78 0.0507 0.00000
79 0.1218 0.00000
80 -0.0203 0.00000
81 0.1008 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2469 0.00000
89 0.0037 0.00000
90 -0.1132 0.00000
91 -0.1544 0.00000
92 -0.1478 0.00000
93 0.0169 0.00000
94 0.0195 0.00000
95 -0.0077 0.00000
96 0.0195 0.00000
97 -0.0998 0.00000
98 -0.0149 0.00000
99 0.0128 0.00000
100 -0.1629 0.00000
101 -0.0866 0.00000
102 0.0912 0.00000
103 -0.1228 0.00000
104 0.0526 0.00000
105 -0.1609 0.00000
106 -0.0434 0.00000
107 -0.6223 0.00000
108 -0.0136 0.00000
109 -0.0401 0.00000
110 -0.1953 0.00000
111 -0.4909 0.00000
112 0.0591 0.00000
113 0.0725 0.00000
114 -0.1631 0.00000
115 -0.2683 0.00000
116 -0.7403 0.00000
117 -0.1880 0.00000
118 -0.0542 0.00000
119 0.0553 0.00000
120 0.0086 0.00000
121 0.0559 0.00000
122 -0.0422 0.00000
123 0.0486 0.00000
124 0.0456 0.00000
125 -0.0518 0.00000
126 -0.0777 0.00000
127 -0.0595 0.00000
128 -0.1618 0.00000
129 0.0887 0.00000
130 -0.0308 0.00000
131 0.0750 0.00000
132 -0.0311 0.00000
133 0.0493 0.00000
134 -0.1460 0.00000
135 -0.0057 0.00000
136 -0.0380 0.00000
137 0.2885 0.00000
138 -0.0292 0.00000
139 -0.0037 0.00000
140 0.0379 0.00000
141 -0.0664 0.00000
142 0.0412 0.00000
143 0.0164 0.00000
144 0.0562 0.00000
145 0.0618 0.00000
146 0.0650 0.00000
147 0.0256 0.00000
148 -0.0448 0.00000
149 0.5364 0.00000
150 -0.0531 0.00000
151 0.6492 0.00000
152 0.0323 0.00000
153 -0.5317 0.00000
154 0.3001 0.00000
155 0.0102 0.00000
156 -0.0042 0.00000
157 -0.1242 0.00000
158 0.0742 0.00000
159 -0.1186 0.00000
160 0.2726 0.00000
161 0.0800 0.00000
162 0.0687 0.00000
163 0.0324 0.00000
164 0.0550 0.00000
165 0.0967 0.00000
166 0.0454 0.00000
167 0.1256 0.00000
168 0.1302 0.00000
169 0.0570 0.00000
170 0.0169 0.00000
171 0.1114 0.00000
172 -0.0121 0.00000
173 -0.0278 0.00000
174 0.0360 0.00000
175 -0.0471 0.00000
176 0.3064 0.00000
177 0.0682 0.00000
178 -0.0036 0.00000
179 0.0491 0.00000
180 -0.0179 0.00000
181 0.0588 0.00000
182 0.0922 0.00000
183 0.0654 0.00000
184 0.0222 0.00000
185 -0.0257 0.00000
186 0.0225 0.00000
187 0.0030 0.00000
188 0.0369 0.00000
189 -0.0151 0.00000
190 0.1360 0.00000
191 0.0749 0.00000
192 0.1589 0.00000
193 0.0763 0.00000
194 0.0914 0.00000
195 0.0777 0.00000
196 0.0743 0.00000
197 0.0244 0.00000
198 0.0504 0.00000
199 -0.0863 0.00000
200 -0.0182 0.00000
201 0.2079 0.00000
202 0.0581 0.00000
203 0.0653 0.00000
204 0.2870 0.00000
205 -0.0355 0.00000
206 0.0830 0.00000
207 0.0946 0.00000
208 0.3912 0.00000
209 0.0479 0.00000
210 -0.0200 0.00000
211 0.0115 0.00000
212 -0.0180 0.00000
213 0.0599 0.00000
214 0.1726 0.00000
215 0.3475 0.00000
216 0.1097 0.00000
217 0.1193 0.00000
218 0.1221 0.00000
219 0.1869 0.00000
220 0.2829 0.00000
221 0.1356 0.00000
222 0.0338 0.00000
223 -0.1221 0.00000
224 0.2946 0.00000
225 0.2230 0.00000
226 0.0828 0.00000
227 0.0023 0.00000
228 0.0057 0.00000
229 0.0842 0.00000
230 0.0311 0.00000
231 -0.2537 0.00000
232 -0.0017 0.00000
233 -0.0159 0.00000
234 -0.0389 0.00000
235 -0.1518 0.00000
236 -0.0428 0.00000
237 -0.0560 0.00000
238 -0.0971 0.00000
239 -0.0958 0.00000
240 -0.0395 0.00000
241 -0.0714 0.00000
242 -0.0321 0.00000
243 0.0033 0.00000
244 0.0172 0.00000
245 -0.0275 0.00000
246 -0.0342 0.00000
247 0.0535 0.00000
248 0.1298 0.00000
249 -0.0410 0.00000
250 -0.0305 0.00000
251 0.0993 0.00000
252 0.0859 0.00000
253 0.0897 0.00000
254 -0.0316 0.00000
255 -0.0233 0.00000
256 -0.0193 0.00000
257 0.0236 0.00000
258 0.0234 0.00000
259 0.0006 0.00000
260 0.0068 0.00000
261 -0.0290 0.00000
262 -0.0067 0.00000
263 -0.0272 0.00000
264 0.0004 0.00000
265 -0.0574 0.00000
266 -0.0714 0.00000
267 0.0017 0.00000
268 0.0197 0.00000
269 -0.0991 0.00000
270 -0.0175 0.00000
271 0.0070 0.00000
272 -0.1519 0.00000
273 0.0162 0.00000
274 -0.0523 0.00000
275 -0.0654 0.00000
276 -0.0310 0.00000
277 -0.0219 0.00000
278 -0.0450 0.00000
279 -0.1364 0.00000
280 0.0417 0.00000
281 -0.1081 0.00000
282 -0.1057 0.00000
283 -0.0244 0.00000
284 0.0003 0.00000
285 -0.0335 0.00000
286 -0.5079 0.00000
287 -0.0052 0.00000
288 -0.0502 0.00000
289 -0.2304 0.00000
290 0.0128 0.00000
291 -0.0773 0.00000
292 -0.2592 0.00000
293 -0.3913 0.00000
294 -0.1457 0.00000
295 -0.0366 0.00000
296 -0.0353 0.00000
297 0.0409 0.00000
298 -0.2402 0.00000
299 -0.3930 0.00000
300 -0.0300 0.00000
301 -0.0339 0.00000
302 -0.0379 0.00000
303 -0.0133 0.00000
304 -0.0495 0.00000
305 0.0354 0.00000
306 0.0566 0.00000
307 -0.0442 0.00000
308 -0.2374 0.00000
309 -0.0386 0.00000
310 -0.0103 0.00000
311 0.0351 0.00000
312 -0.0091 0.00000
313 -0.0255 0.00000
314 0.0125 0.00000
315 -0.0532 0.00000
316 0.0784 0.00000
317 0.0077 0.00000
318 0.0081 0.00000
319 0.0539 0.00000
320 0.0286 0.00000
321 -0.0482 0.00000
322 0.0123 0.00000
323 0.0862 0.00000
324 0.0652 0.00000
325 -0.0351 0.00000
326 0.1544 0.00000
327 0.0946 0.00000
328 0.0179 0.00000
329 0.0016 0.00000
330 -0.0455 0.00000
331 0.1178 0.00000
332 -0.0251 0.00000
333 -0.0131 0.00000
334 -0.0632 0.00000
335 0.0233 0.00000
336 0.0070 0.00000
337 0.0168 0.00000
338 0.1656 0.00000
339 0.0128 0.00000
340 0.0027 0.00000
341 0.0548 0.00000
342 -0.0452 0.00000
343 0.0477 0.00000
344 -0.0017 0.00000
345 0.0642 0.00000
346 0.0248 0.00000
347 0.0159 0.00000
348 -0.0257 0.00000
349 0.0608 0.00000
350 0.1081 0.00000
351 0.0558 0.00000
352 0.0349 0.00000
353 0.0638 0.00000
354 0.0151 0.00000
355 -0.0068 0.00000
356 -0.0335 0.00000
357 0.0398 0.00000
358 0.0720 0.00000
359 0.0280 0.00000
360 0.0357 0.00000
361 0.0060 0.00000
362 -0.0084 0.00000
363 0.0828 0.00000
364 -0.0193 0.00000
365 0.0346 0.00000
366 -0.0178 0.00000
367 -0.0111 0.00000
368 0.0811 0.00000
369 0.0751 0.00000
370 0.0579 0.00000
371 0.0167 0.00000
372 0.0811 0.00000
373 0.0464 0.00000
374 0.0953 0.00000
375 0.1362 0.00000
376 0.0899 0.00000
377 0.0547 0.00000
378 0.0055 0.00000
379 -0.0085 0.00000
380 0.0005 0.00000
381 0.0332 0.00000
382 0.1028 0.00000
383 0.0508 0.00000
384 0.0550 0.00000
385 0.0605 0.00000
386 0.0500 0.00000
387 0.0339 0.00000
388 0.1107 0.00000
389 0.0255 0.00000
390 -0.0293 0.00000
391 0.1113 0.00000
392 0.0983 0.00000
393 0.0155 0.00000
394 0.1879 0.00000
395 0.0679 0.00000
396 0.0616 0.00000
397 -0.0032 0.00000
398 0.0400 0.00000
399 0.0348 0.00000
400 0.0307 0.00000
401 0.0925 0.00000
402 0.0828 0.00000
403 0.0011 0.00000
404 0.1314 0.00000
405 0.0650 0.00000
406 0.0841 0.00000
407 0.1270 0.00000
408 0.0106 0.00000
409 0.1034 0.00000
410 0.0112 0.00000
411 0.2601 0.00000
412 -0.0214 0.00000
413 0.1293 0.00000
414 0.2990 0.00000
415 0.0608 0.00000
416 0.0329 0.00000
417 -0.0077 0.00000
418 0.0781 0.00000
419 -0.0017 0.00000
420 0.0692 0.00000
421 -0.0091 0.00000
422 0.0440 0.00000
423 0.0626 0.00000
424 0.1213 0.00000
425 0.0575 0.00000
426 -0.0024 0.00000
427 -0.0257 0.00000
428 0.0388 0.00000
429 0.0724 0.00000
430 -0.0184 0.00000
431 -0.0097 0.00000
432 0.0916 0.00000
433 -0.0045 0.00000
434 0.0106 0.00000
435 -0.0011 0.00000
436 0.0530 0.00000
437 0.0351 0.00000
438 0.1289 0.00000
439 -0.0079 0.00000
440 -0.0202 0.00000
441 -0.0600 0.00000
442 -0.0232 0.00000
443 -0.0427 0.00000
444 0.0442 0.00000
445 0.0132 0.00000
446 -0.0776 0.00000
447 -0.0426 0.00000
448 0.0110 0.00000
449 0.0911 0.00000
450 0.1199 0.00000
451 -0.0034 0.00000
452 0.0477 0.00000
453 0.0425 0.00000
454 -0.0084 0.00000
455 0.0103 0.00000
456 -0.0094 0.00000
457 0.1280 0.00000
458 -0.0797 0.00000
459 0.1032 0.00000
460 0.0228 0.00000
461 -0.0145 0.00000
462 0.0603 0.00000
463 -0.0169 0.00000
464 -0.0032 0.00000
465 -0.0014 0.00000
466 -0.0225 0.00000
467 0.0247 0.00000
468 0.0202 0.00000
469 -0.0116 0.00000
470 0.0396 0.00000
471 0.0400 0.00000
472 -0.1273 0.00000
473 0.2517 0.00000
474 0.0365 0.00000
475 0.1377 0.00000
476 0.1182 0.00000
477 -0.0199 0.00000
478 -0.0160 0.00000
479 0.0030 0.00000
480 -0.0179 0.00000
481 0.0350 0.00000
482 0.0645 0.00000
483 0.0408 0.00000
484 0.0970 0.00000
485 0.0275 0.00000
486 -0.0171 0.00000
487 0.0383 0.00000
488 0.0421 0.00000
489 0.0082 0.00000
490 0.0099 0.00000
491 -0.0410 0.00000
492 0.0637 0.00000
493 -0.0084 0.00000
494 0.0618 0.00000
495 0.0615 0.00000
496 0.1953 0.00000
497 -0.0193 0.00000
498 0.0122 0.00000
499 0.0130 0.00000
500 -0.0284 0.00000
501 -0.2365 0.00000
502 -0.0048 0.00000
503 0.0435 0.00000
504 -0.0135 0.00000
505 -0.0001 0.00000
506 0.0221 0.00000
507 -0.0384 0.00000
508 0.0278 0.00000
509 0.0575 0.00000
510 0.0093 0.00000
511 -0.0149 0.00000
512 0.0783 0.00000
513 -0.0198 0.00000
514 -0.0863 0.00000
515 0.0217 0.00000
516 -0.0023 0.00000
517 0.0351 0.00000
518 0.1098 0.00000
519 0.2134 0.00000
520 -0.0512 0.00000
521 0.0195 0.00000
522 -0.0053 0.00000
523 0.0180 0.00000
524 -0.0312 0.00000
525 0.0297 0.00000
526 -0.0790 0.00000
527 0.0204 0.00000
528 0.1523 0.00000
529 0.0638 0.00000
530 0.1458 0.00000
531 0.0505 0.00000
532 -0.0555 0.00000
533 0.0299 0.00000
534 0.1575 0.00000
535 0.0719 0.00000
536 -0.0133 0.00000
537 0.0360 0.00000
538 -0.0492 0.00000
539 0.0349 0.00000
540 -0.0252 0.00000
541 0.0534 0.00000
542 -0.0033 0.00000
543 0.0163 0.00000
544 -0.0186 0.00000
545 -0.0548 0.00000
546 0.0189 0.00000
547 -0.0085 0.00000
548 -0.0808 0.00000
549 -0.0218 0.00000
550 0.0076 0.00000
551 0.0614 0.00000
552 -0.0794 0.00000
553 -0.0112 0.00000
554 0.0295 0.00000
555 0.0047 0.00000
556 -0.0431 0.00000
557 -0.0116 0.00000
558 0.0381 0.00000
559 0.0256 0.00000
560 0.0197 0.00000
561 0.0348 0.00000
562 -0.0233 0.00000
563 0.0053 0.00000
564 0.0597 0.00000
565 -0.0277 0.00000
566 -0.0047 0.00000
567 0.0160 0.00000
568 0.0543 0.00000
569 0.0620 0.00000
570 0.1297 0.00000
571 -0.0118 0.00000
572 0.0259 0.00000
573 -0.0052 0.00000
574 0.0285 0.00000
575 -0.0058 0.00000
576 0.1112 0.00000
577 0.1246 0.00000
578 0.0071 0.00000
579 0.0065 0.00000
580 0.0390 0.00000
581 -0.0048 0.00000
582 0.0494 0.00000
583 0.0111 0.00000
584 0.0087 0.00000
585 -0.0039 0.00000
586 0.0159 0.00000
587 0.0293 0.00000
588 0.0798 0.00000
589 -0.0560 0.00000
590 0.0572 0.00000
591 -0.0453 0.00000
592 0.0091 0.00000
593 -0.0220 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1720 0.00000
597 -0.1828 0.00000
598 -0.0432 0.00000
599 0.0405 0.00000
600 0.1638 0.00000
601 0.0528 0.00000
602 -0.1336 0.00000
603 0.0649 0.00000
604 -0.2020 0.00000
605 0.0464 0.00000
606 0.0895 0.00000
607 -0.0043 0.00000
608 -0.0995 0.00000
609 0.0151 0.00000
610 -0.0486 0.00000
611 -0.0202 0.00000
612 0.0082 0.00000
613 -0.1421 0.00000
614 0.0361 0.00000
615 0.0098 0.00000
616 -0.0454 0.00000
617 -0.0092 0.00000
618 0.0234 0.00000
619 0.0123 0.00000
620 -0.0506 0.00000
621 -0.0585 0.00000
622 -0.0245 0.00000
623 -0.2425 0.00000
624 0.0046 0.00000
625 -0.0354 0.00000
626 -0.0013 0.00000
627 0.0242 0.00000
628 -0.0189 0.00000
629 -0.0175 0.00000
630 -0.0192 0.00000
631 -0.0325 0.00000
632 -0.0865 0.00000
633 -0.0658 0.00000
634 -0.0514 0.00000
635 0.0089 0.00000
636 -0.0579 0.00000
637 -0.0201 0.00000
638 -0.0399 0.00000
639 -0.0175 0.00000
640 -0.0419 0.00000
641 -0.0246 0.00000
642 -0.0474 0.00000
643 0.0011 0.00000
644 -0.0551 0.00000
645 -0.0697 0.00000
646 -0.0397 0.00000
647 -0.0473 0.00000
648 -0.0067 0.00000
649 -0.0313 0.00000
650 -0.0557 0.00000
651 -0.0056 0.00000
652 -0.0291 0.00000
653 -0.0802 0.00000
654 -0.0677 0.00000
655 -0.0891 0.00000
656 0.0433 0.00000
657 -0.0416 0.00000
658 -0.0182 0.00000
659 -0.0639 0.00000
660 -0.0226 0.00000
661 -0.0360 0.00000
662 -0.0841 0.00000
663 -0.0248 0.00000
664 -0.1091 0.00000
665 0.0330 0.00000
666 -0.0268 0.00000
667 0.0242 0.00000
668 -0.1688 0.00000
669 -0.0674 0.00000
670 -0.0164 0.00000
671 -0.0495 0.00000
672 -0.0102 0.00000
673 0.0542 0.00000
674 -0.0206 0.00000
675 -0.0619 0.00000
676 -0.0443 0.00000
677 0.0359 0.00000
678 -0.0136 0.00000
679 -0.0316 0.00000
680 -0.0844 0.00000
681 -0.0167 0.00000
682 -0.0107 0.00000
683 -0.0226 0.00000
684 -0.0443 0.00000
685 -0.0156 0.00000
686 -0.1082 0.00000
687 0.0310 0.00000
688 -0.0221 0.00000
689 -0.0416 0.00000
690 0.0276 0.00000
691 -0.0480 0.00000
692 0.0281 0.00000
693 -0.0286 0.00000
694 -0.0353 0.00000
695 -0.0335 0.00000
696 -0.0344 0.00000
697 0.0331 0.00000
698 -0.0489 0.00000
699 -0.0036 0.00000
700 0.0251 0.00000
701 0.0154 0.00000
702 0.1026 0.00000
703 0.0301 0.00000
704 0.0034 0.00000
705 -0.0289 0.00000
706 -0.0075 0.00000
707 0.0034 0.00000
708 0.0063 0.00000
709 0.0316 0.00000
710 -0.0430 0.00000
711 -0.0292 0.00000
712 -0.0135 0.00000
713 -0.0079 0.00000
714 -0.0329 0.00000
715 -0.0056 0.00000
716 -0.0106 0.00000
717 -0.0710 0.00000
718 -0.0185 0.00000
719 -0.0957 0.00000
720 0.0237 0.00000
721 -0.0912 0.00000
722 0.0134 0.00000
723 -0.0335 0.00000
724 -0.0120 0.00000
725 -0.0602 0.00000
726 0.0920 0.00000
727 -0.0378 0.00000
728 -0.0274 0.00000
729 0.0109 0.00000
730 0.0099 0.00000
731 0.0023 0.00000
732 -0.0622 0.00000
733 -0.0235 0.00000
734 -0.0416 0.00000
735 0.0076 0.00000
736 0.0045 0.00000
737 -0.0591 0.00000
738 -0.0350 0.00000
739 -0.0853 0.00000
740 0.0460 0.00000
741 -0.0948 0.00000
742 0.0244 0.00000
743 -0.0801 0.00000
744 -0.0261 0.00000
745 -0.0253 0.00000
746 -0.0168 0.00000
747 0.0285 0.00000
748 0.0103 0.00000
749 0.0210 0.00000
750 0.0155 0.00000
751 0.0319 0.00000
752 0.0012 0.00000
753 -0.0050 0.00000
754 -0.0188 0.00000
755 0.0063 0.00000
756 -0.0054 0.00000
757 0.0138 0.00000
758 -0.0244 0.00000
759 -0.0283 0.00000
760 -0.0673 0.00000
761 0.0104 0.00000
762 0.0628 0.00000
763 0.0062 0.00000
764 -0.0087 0.00000
765 -0.0292 0.00000
766 -0.1704 0.00000
767 0.0541 0.00000
768 -0.0552 0.00000
769 -0.0393 0.00000
770 -0.0522 0.00000
771 -0.0076 0.00000
772 0.0155 0.00000
773 -0.0142 0.00000
774 0.0173 0.00000
775 -0.0282 0.00000
776 -0.0314 0.00000
777 -0.0205 0.00000
778 0.0069 0.00000
779 -0.0328 0.00000
780 0.0189 0.00000
k-point 8 : 0.5000 0.5000 0.5000
band No. band energies occupation
1 -0.1539 0.00000
2 -0.0988 0.00000
3 0.0008 0.00000
4 -0.1204 0.00000
5 0.4116 0.00000
6 0.2315 0.00000
7 -0.0336 0.00000
8 0.0264 0.00000
9 0.8247 0.00000
10 0.4085 0.00000
11 -0.3746 0.00000
12 0.0839 0.00000
13 -0.0148 0.00000
14 -0.0436 0.00000
15 -0.7343 0.00000
16 0.1312 0.00000
17 0.1800 0.00000
18 0.1532 0.00000
19 0.0342 0.00000
20 -0.0630 0.00000
21 -0.1273 0.00000
22 0.1281 0.00000
23 0.0777 0.00000
24 0.1234 0.00000
25 0.1568 0.00000
26 0.0762 0.00000
27 0.0659 0.00000
28 -0.0225 0.00000
29 -0.0877 0.00000
30 0.0816 0.00000
31 0.6806 0.00000
32 0.2919 0.00000
33 0.0364 0.00000
34 0.0699 0.00000
35 0.0252 0.00000
36 0.2455 0.00000
37 -0.0484 0.00000
38 0.1052 0.00000
39 0.0039 0.00000
40 0.3048 0.00000
41 0.0559 0.00000
42 -0.0353 0.00000
43 0.0546 0.00000
44 0.2918 0.00000
45 0.0517 0.00000
46 0.0661 0.00000
47 0.0829 0.00000
48 0.4106 0.00000
49 0.1741 0.00000
50 -0.0027 0.00000
51 0.0582 0.00000
52 0.2724 0.00000
53 -0.0096 0.00000
54 0.1515 0.00000
55 0.0219 0.00000
56 0.5315 0.00000
57 -0.0369 0.00000
58 -0.1028 0.00000
59 0.2869 0.00000
60 0.4683 0.00000
61 -0.0157 0.00000
62 -0.0463 0.00000
63 0.0203 0.00000
64 0.7283 0.00000
65 0.1779 0.00000
66 0.1103 0.00000
67 0.1549 0.00000
68 0.4762 0.00000
69 -0.0518 0.00000
70 0.1129 0.00000
71 0.0539 0.00000
72 0.0551 0.00000
73 0.0495 0.00000
74 0.0155 0.00000
75 0.0173 0.00000
76 0.0543 0.00000
77 0.0314 0.00000
78 0.0507 0.00000
79 0.1227 0.00000
80 -0.0209 0.00000
81 0.1012 0.00000
82 0.0561 0.00000
83 0.0216 0.00000
84 -0.0061 0.00000
85 -0.0073 0.00000
86 -0.0269 0.00000
87 -0.0340 0.00000
88 -0.2469 0.00000
89 0.0037 0.00000
90 -0.1134 0.00000
91 -0.1538 0.00000
92 -0.1485 0.00000
93 0.0185 0.00000
94 0.0209 0.00000
95 -0.0080 0.00000
96 0.0077 0.00000
97 -0.0961 0.00000
98 -0.0495 0.00000
99 0.0669 0.00000
100 -0.1931 0.00000
101 -0.0635 0.00000
102 0.0909 0.00000
103 -0.1374 0.00000
104 0.0449 0.00000
105 -0.1424 0.00000
106 -0.0412 0.00000
107 -0.6259 0.00000
108 -0.0216 0.00000
109 -0.0342 0.00000
110 -0.1434 0.00000
111 -0.5647 0.00000
112 0.0483 0.00000
113 0.0728 0.00000
114 -0.1165 0.00000
115 -0.2899 0.00000
116 -0.7213 0.00000
117 -0.2531 0.00000
118 -0.0080 0.00000
119 0.0446 0.00000
120 0.0180 0.00000
121 0.0667 0.00000
122 -0.0526 0.00000
123 0.0113 0.00000
124 0.0983 0.00000
125 -0.0527 0.00000
126 -0.0837 0.00000
127 -0.0680 0.00000
128 -0.1451 0.00000
129 0.0901 0.00000
130 -0.0379 0.00000
131 0.0710 0.00000
132 -0.0381 0.00000
133 0.0515 0.00000
134 -0.1380 0.00000
135 -0.0062 0.00000
136 -0.0394 0.00000
137 0.2888 0.00000
138 -0.0279 0.00000
139 0.0038 0.00000
140 0.0252 0.00000
141 -0.0661 0.00000
142 0.0416 0.00000
143 0.0155 0.00000
144 0.0622 0.00000
145 0.0603 0.00000
146 0.0650 0.00000
147 0.0255 0.00000
148 -0.0787 0.00000
149 0.5938 0.00000
150 -0.0506 0.00000
151 0.5995 0.00000
152 -0.0850 0.00000
153 -0.3765 0.00000
154 0.2939 0.00000
155 0.1156 0.00000
156 -0.2370 0.00000
157 -0.0145 0.00000
158 -0.0296 0.00000
159 0.0499 0.00000
160 0.0598 0.00000
161 0.0169 0.00000
162 0.2750 0.00000
163 0.0850 0.00000
164 0.0864 0.00000
165 0.0527 0.00000
166 0.1765 0.00000
167 0.0249 0.00000
168 0.0277 0.00000
169 0.0456 0.00000
170 0.0801 0.00000
171 0.0710 0.00000
172 0.0636 0.00000
173 0.0439 0.00000
174 -0.0255 0.00000
175 -0.0149 0.00000
176 0.0947 0.00000
177 0.0293 0.00000
178 0.2248 0.00000
179 -0.1123 0.00000
180 0.0314 0.00000
181 0.1395 0.00000
182 0.0243 0.00000
183 0.0140 0.00000
184 0.0416 0.00000
185 0.1677 0.00000
186 -0.0312 0.00000
187 0.0037 0.00000
188 0.0434 0.00000
189 0.0280 0.00000
190 0.1132 0.00000
191 -0.0077 0.00000
192 0.0675 0.00000
193 0.1312 0.00000
194 0.0472 0.00000
195 0.1157 0.00000
196 0.0645 0.00000
197 0.0154 0.00000
198 0.0294 0.00000
199 0.0106 0.00000
200 -0.0330 0.00000
201 0.0159 0.00000
202 0.1186 0.00000
203 0.0526 0.00000
204 0.4904 0.00000
205 0.0266 0.00000
206 0.2147 0.00000
207 0.0598 0.00000
208 0.0205 0.00000
209 0.1367 0.00000
210 -0.0551 0.00000
211 0.0643 0.00000
212 -0.0289 0.00000
213 0.0364 0.00000
214 0.1354 0.00000
215 0.4450 0.00000
216 0.1745 0.00000
217 0.1647 0.00000
218 0.1124 0.00000
219 0.1694 0.00000
220 -0.0219 0.00000
221 0.3740 0.00000
222 0.0326 0.00000
223 -0.1618 0.00000
224 0.3528 0.00000
225 0.1907 0.00000
226 0.0823 0.00000
227 0.0022 0.00000
228 0.0063 0.00000
229 0.0866 0.00000
230 0.0310 0.00000
231 -0.2546 0.00000
232 0.0038 0.00000
233 -0.0161 0.00000
234 -0.0395 0.00000
235 -0.1576 0.00000
236 -0.0377 0.00000
237 -0.0876 0.00000
238 -0.0776 0.00000
239 -0.0964 0.00000
240 -0.0214 0.00000
241 -0.0652 0.00000
242 -0.0275 0.00000
243 -0.0208 0.00000
244 0.0291 0.00000
245 -0.0139 0.00000
246 -0.0246 0.00000
247 0.0032 0.00000
248 0.1587 0.00000
249 -0.0545 0.00000
250 -0.0340 0.00000
251 -0.0007 0.00000
252 0.3164 0.00000
253 -0.0694 0.00000
254 0.0085 0.00000
255 -0.0429 0.00000
256 0.0109 0.00000
257 -0.0156 0.00000
258 0.0501 0.00000
259 -0.0127 0.00000
260 -0.0072 0.00000
261 -0.0030 0.00000
262 -0.0245 0.00000
263 -0.0459 0.00000
264 0.0422 0.00000
265 -0.0183 0.00000
266 -0.1022 0.00000
267 0.0315 0.00000
268 -0.0659 0.00000
269 0.0205 0.00000
270 -0.0266 0.00000
271 -0.0844 0.00000
272 -0.1009 0.00000
273 0.0274 0.00000
274 -0.1033 0.00000
275 -0.0586 0.00000
276 -0.0383 0.00000
277 -0.0431 0.00000
278 -0.0799 0.00000
279 -0.0490 0.00000
280 -0.0388 0.00000
281 0.0299 0.00000
282 -0.0867 0.00000
283 -0.0077 0.00000
284 -0.0146 0.00000
285 -0.0507 0.00000
286 -0.1108 0.00000
287 -0.3317 0.00000
288 -0.1240 0.00000
289 -0.1404 0.00000
290 -0.5451 0.00000
291 -0.2538 0.00000
292 -0.0485 0.00000
293 0.0492 0.00000
294 -0.0666 0.00000
295 -0.0992 0.00000
296 -0.1061 0.00000
297 0.0002 0.00000
298 -0.4112 0.00000
299 -0.2757 0.00000
300 -0.0234 0.00000
301 0.0076 0.00000
302 -0.0291 0.00000
303 0.0456 0.00000
304 -0.0490 0.00000
305 0.0162 0.00000
306 -0.0404 0.00000
307 -0.1272 0.00000
308 -0.0733 0.00000
309 0.0134 0.00000
310 -0.0864 0.00000
311 -0.0142 0.00000
312 0.0287 0.00000
313 -0.0046 0.00000
314 0.0577 0.00000
315 -0.0416 0.00000
316 0.0210 0.00000
317 0.0793 0.00000
318 -0.0062 0.00000
319 0.0597 0.00000
320 -0.0023 0.00000
321 -0.0629 0.00000
322 0.0411 0.00000
323 0.0865 0.00000
324 0.1164 0.00000
325 0.0350 0.00000
326 0.0183 0.00000
327 0.0553 0.00000
328 0.1475 0.00000
329 0.0210 0.00000
330 -0.0420 0.00000
331 -0.0470 0.00000
332 -0.1011 0.00000
333 0.0923 0.00000
334 0.0097 0.00000
335 -0.0383 0.00000
336 0.0268 0.00000
337 0.0563 0.00000
338 -0.0069 0.00000
339 -0.0408 0.00000
340 0.1375 0.00000
341 -0.0085 0.00000
342 0.0423 0.00000
343 -0.0075 0.00000
344 0.0061 0.00000
345 -0.0277 0.00000
346 0.0818 0.00000
347 0.0912 0.00000
348 -0.0306 0.00000
349 0.0267 0.00000
350 0.0804 0.00000
351 0.1199 0.00000
352 -0.0250 0.00000
353 0.0721 0.00000
354 0.0452 0.00000
355 0.0122 0.00000
356 0.0004 0.00000
357 0.0298 0.00000
358 -0.0714 0.00000
359 0.0173 0.00000
360 0.1242 0.00000
361 0.0209 0.00000
362 0.0186 0.00000
363 0.0967 0.00000
364 0.0107 0.00000
365 0.0375 0.00000
366 -0.0135 0.00000
367 0.0023 0.00000
368 0.0257 0.00000
369 0.0727 0.00000
370 0.0636 0.00000
371 0.1242 0.00000
372 0.0406 0.00000
373 0.0366 0.00000
374 0.0354 0.00000
375 0.1275 0.00000
376 0.0076 0.00000
377 0.1346 0.00000
378 -0.0433 0.00000
379 0.0213 0.00000
380 0.0251 0.00000
381 0.0583 0.00000
382 0.0145 0.00000
383 0.0717 0.00000
384 0.0531 0.00000
385 0.0343 0.00000
386 0.0230 0.00000
387 0.0690 0.00000
388 0.1342 0.00000
389 0.0944 0.00000
390 -0.0256 0.00000
391 0.1536 0.00000
392 0.0448 0.00000
393 0.0314 0.00000
394 0.0257 0.00000
395 0.0956 0.00000
396 0.0097 0.00000
397 0.0348 0.00000
398 0.1021 0.00000
399 0.0437 0.00000
400 0.0688 0.00000
401 0.0388 0.00000
402 0.0493 0.00000
403 0.2641 0.00000
404 0.0725 0.00000
405 0.0377 0.00000
406 0.0630 0.00000
407 0.1012 0.00000
408 0.0670 0.00000
409 0.0623 0.00000
410 0.0418 0.00000
411 0.0580 0.00000
412 0.2139 0.00000
413 0.1591 0.00000
414 0.0345 0.00000
415 0.0747 0.00000
416 0.0712 0.00000
417 -0.0353 0.00000
418 0.1404 0.00000
419 0.0514 0.00000
420 0.0648 0.00000
421 -0.0279 0.00000
422 0.1530 0.00000
423 0.0091 0.00000
424 0.0173 0.00000
425 -0.0007 0.00000
426 0.0173 0.00000
427 0.0550 0.00000
428 0.0406 0.00000
429 0.0446 0.00000
430 0.0054 0.00000
431 -0.0322 0.00000
432 0.0873 0.00000
433 0.0134 0.00000
434 0.0141 0.00000
435 0.0322 0.00000
436 0.0522 0.00000
437 -0.0945 0.00000
438 0.0266 0.00000
439 -0.1010 0.00000
440 -0.0095 0.00000
441 0.0393 0.00000
442 0.0575 0.00000
443 0.0139 0.00000
444 0.0017 0.00000
445 0.0287 0.00000
446 0.1178 0.00000
447 0.0263 0.00000
448 0.0194 0.00000
449 0.0252 0.00000
450 -0.0135 0.00000
451 0.0796 0.00000
452 -0.0460 0.00000
453 0.1798 0.00000
454 -0.0255 0.00000
455 0.0079 0.00000
456 -0.0191 0.00000
457 0.0711 0.00000
458 0.0119 0.00000
459 0.0045 0.00000
460 -0.0108 0.00000
461 -0.1329 0.00000
462 -0.0154 0.00000
463 0.0391 0.00000
464 -0.0251 0.00000
465 0.0579 0.00000
466 -0.0154 0.00000
467 0.0367 0.00000
468 -0.0364 0.00000
469 0.0709 0.00000
470 0.0633 0.00000
471 0.0145 0.00000
472 0.0183 0.00000
473 -0.0043 0.00000
474 0.0797 0.00000
475 -0.0258 0.00000
476 0.1228 0.00000
477 0.0576 0.00000
478 0.0439 0.00000
479 0.0690 0.00000
480 0.1176 0.00000
481 -0.0209 0.00000
482 0.2444 0.00000
483 0.0181 0.00000
484 0.0812 0.00000
485 -0.0699 0.00000
486 0.1002 0.00000
487 0.0672 0.00000
488 -0.0380 0.00000
489 0.0210 0.00000
490 0.0062 0.00000
491 0.0899 0.00000
492 0.1427 0.00000
493 -0.1519 0.00000
494 0.0284 0.00000
495 -0.1111 0.00000
496 0.1346 0.00000
497 0.1882 0.00000
498 -0.0197 0.00000
499 -0.0178 0.00000
500 -0.0027 0.00000
501 0.0207 0.00000
502 -0.1895 0.00000
503 -0.0379 0.00000
504 0.0131 0.00000
505 -0.0116 0.00000
506 0.0207 0.00000
507 -0.0831 0.00000
508 0.0091 0.00000
509 -0.0963 0.00000
510 -0.0903 0.00000
511 0.0618 0.00000
512 -0.0249 0.00000
513 -0.0046 0.00000
514 0.1858 0.00000
515 0.0572 0.00000
516 0.0415 0.00000
517 0.1866 0.00000
518 -0.0141 0.00000
519 -0.0301 0.00000
520 -0.1036 0.00000
521 0.1455 0.00000
522 0.0245 0.00000
523 -0.0050 0.00000
524 0.0325 0.00000
525 -0.0470 0.00000
526 -0.0162 0.00000
527 0.0036 0.00000
528 0.1891 0.00000
529 -0.0103 0.00000
530 -0.0660 0.00000
531 0.1959 0.00000
532 0.1075 0.00000
533 0.0387 0.00000
534 0.0907 0.00000
535 0.0357 0.00000
536 -0.0145 0.00000
537 0.0722 0.00000
538 -0.2731 0.00000
539 0.0667 0.00000
540 -0.0384 0.00000
541 0.0763 0.00000
542 0.0632 0.00000
543 0.0613 0.00000
544 0.0384 0.00000
545 0.0247 0.00000
546 -0.0019 0.00000
547 -0.0178 0.00000
548 -0.0369 0.00000
549 -0.0119 0.00000
550 -0.0247 0.00000
551 -0.0122 0.00000
552 -0.0340 0.00000
553 -0.0176 0.00000
554 -0.0034 0.00000
555 0.0047 0.00000
556 0.0035 0.00000
557 0.0289 0.00000
558 -0.0476 0.00000
559 0.0251 0.00000
560 0.0340 0.00000
561 0.0002 0.00000
562 0.0312 0.00000
563 -0.0225 0.00000
564 0.0572 0.00000
565 -0.0373 0.00000
566 -0.0054 0.00000
567 0.0210 0.00000
568 0.0119 0.00000
569 0.1451 0.00000
570 0.0409 0.00000
571 0.0010 0.00000
572 0.0183 0.00000
573 0.0366 0.00000
574 -0.0045 0.00000
575 0.1294 0.00000
576 0.0760 0.00000
577 0.0645 0.00000
578 0.0318 0.00000
579 0.0285 0.00000
580 0.0290 0.00000
581 -0.0018 0.00000
582 0.0323 0.00000
583 -0.0077 0.00000
584 0.0049 0.00000
585 0.0140 0.00000
586 -0.0029 0.00000
587 0.0291 0.00000
588 0.0780 0.00000
589 -0.0565 0.00000
590 0.0563 0.00000
591 -0.0455 0.00000
592 0.0104 0.00000
593 -0.0214 0.00000
594 -0.0345 0.00000
595 -0.0324 0.00000
596 -0.1720 0.00000
597 -0.1828 0.00000
598 -0.0432 0.00000
599 0.0402 0.00000
600 0.1131 0.00000
601 0.1938 0.00000
602 -0.0840 0.00000
603 -0.0316 0.00000
604 -0.2242 0.00000
605 0.0513 0.00000
606 0.0461 0.00000
607 -0.1155 0.00000
608 0.0199 0.00000
609 -0.0181 0.00000
610 -0.0267 0.00000
611 -0.0234 0.00000
612 0.0009 0.00000
613 -0.0928 0.00000
614 0.0181 0.00000
615 0.0512 0.00000
616 -0.0504 0.00000
617 -0.0156 0.00000
618 -0.0590 0.00000
619 -0.0664 0.00000
620 -0.0445 0.00000
621 -0.0279 0.00000
622 0.0364 0.00000
623 -0.1111 0.00000
624 0.0201 0.00000
625 -0.1430 0.00000
626 -0.0592 0.00000
627 -0.0278 0.00000
628 -0.0331 0.00000
629 -0.0061 0.00000
630 -0.0163 0.00000
631 0.0034 0.00000
632 0.0072 0.00000
633 -0.0400 0.00000
634 -0.0128 0.00000
635 -0.0289 0.00000
636 0.0283 0.00000
637 -0.0401 0.00000
638 -0.1922 0.00000
639 -0.0346 0.00000
640 -0.1206 0.00000
641 -0.0217 0.00000
642 -0.0125 0.00000
643 0.0011 0.00000
644 -0.0654 0.00000
645 -0.0407 0.00000
646 -0.0102 0.00000
647 -0.0324 0.00000
648 0.0060 0.00000
649 -0.0058 0.00000
650 0.0012 0.00000
651 -0.0906 0.00000
652 -0.0458 0.00000
653 -0.0649 0.00000
654 -0.0079 0.00000
655 -0.0349 0.00000
656 0.0044 0.00000
657 -0.0160 0.00000
658 -0.0480 0.00000
659 -0.0304 0.00000
660 -0.0158 0.00000
661 0.0161 0.00000
662 -0.0221 0.00000
663 0.0095 0.00000
664 -0.0328 0.00000
665 -0.0777 0.00000
666 -0.0655 0.00000
667 -0.2146 0.00000
668 -0.0409 0.00000
669 0.0348 0.00000
670 -0.0287 0.00000
671 -0.0625 0.00000
672 0.0142 0.00000
673 -0.0137 0.00000
674 -0.1047 0.00000
675 -0.0043 0.00000
676 -0.0294 0.00000
677 -0.0254 0.00000
678 -0.0325 0.00000
679 -0.0327 0.00000
680 -0.0974 0.00000
681 -0.0214 0.00000
682 -0.0777 0.00000
683 0.0035 0.00000
684 -0.0142 0.00000
685 -0.0216 0.00000
686 -0.0567 0.00000
687 -0.0145 0.00000
688 0.0507 0.00000
689 0.0267 0.00000
690 -0.0314 0.00000
691 0.0200 0.00000
692 -0.0000 0.00000
693 -0.0296 0.00000
694 0.0383 0.00000
695 -0.0744 0.00000
696 -0.0558 0.00000
697 -0.0199 0.00000
698 -0.0111 0.00000
699 -0.0878 0.00000
700 -0.0194 0.00000
701 0.0233 0.00000
702 -0.0115 0.00000
703 0.0279 0.00000
704 -0.0347 0.00000
705 0.0049 0.00000
706 0.0288 0.00000
707 -0.0053 0.00000
708 -0.0234 0.00000
709 0.0025 0.00000
710 -0.0752 0.00000
711 -0.0315 0.00000
712 0.0071 0.00000
713 -0.0081 0.00000
714 0.0249 0.00000
715 -0.0097 0.00000
716 0.0282 0.00000
717 0.0151 0.00000
718 0.0069 0.00000
719 -0.0503 0.00000
720 -0.0322 0.00000
721 -0.0298 0.00000
722 0.0090 0.00000
723 -0.0295 0.00000
724 -0.0853 0.00000
725 -0.0261 0.00000
726 0.0299 0.00000
727 0.0142 0.00000
728 -0.1101 0.00000
729 0.0108 0.00000
730 0.0948 0.00000
731 -0.0424 0.00000
732 -0.0690 0.00000
733 -0.1134 0.00000
734 0.0060 0.00000
735 -0.0001 0.00000
736 -0.0507 0.00000
737 0.0023 0.00000
738 0.0552 0.00000
739 -0.0352 0.00000
740 0.0229 0.00000
741 -0.0844 0.00000
742 0.0103 0.00000
743 0.0508 0.00000
744 -0.1202 0.00000
745 0.0505 0.00000
746 -0.0207 0.00000
747 0.0119 0.00000
748 -0.0519 0.00000
749 -0.0269 0.00000
750 0.1179 0.00000
751 -0.0076 0.00000
752 -0.0168 0.00000
753 0.0076 0.00000
754 -0.0846 0.00000
755 -0.0341 0.00000
756 0.0322 0.00000
757 0.0385 0.00000
758 0.0231 0.00000
759 -0.1719 0.00000
760 -0.0353 0.00000
761 0.0554 0.00000
762 -0.0083 0.00000
763 0.0164 0.00000
764 -0.0044 0.00000
765 -0.1305 0.00000
766 0.0327 0.00000
767 -0.0004 0.00000
768 -0.0485 0.00000
769 -0.0563 0.00000
770 0.1254 0.00000
771 -0.0085 0.00000
772 -0.0880 0.00000
773 0.0945 0.00000
774 0.0169 0.00000
775 -0.0683 0.00000
776 -0.0077 0.00000
777 -0.0325 0.00000
778 -0.0173 0.00000
779 0.0825 0.00000
780 -0.0221 0.00000
------------------------ aborting loop because EDIFF is reached ----------------------------------------
INTERNAL STRAIN TENSOR FOR ION 8 DIRECTION 1 (eV/Angst):
-----------------------------------------------------------------------------
-4.89385 3.86835 -6.70310
3.86901 -3.50343 1.40490
-6.70346 1.40522-11.39848
POSITION FORCE-CONSTANT FOR ION 8 DIRECTION 1 (eV/Angst/Angst)
-----------------------------------------------------------------------------------
1.38315 1.35531 0.04630 -0.017042 0.008742 -0.050563
4.30302 2.15352 7.05746 -0.505327 0.042906 -0.004899
1.30883 4.06731 2.03161 -0.038380 0.032336 -0.059757
3.96992 4.32885 4.13194 -0.101633 0.005472 0.002275
1.29275 3.05683 8.10201 -0.235875 0.365065 0.833677
3.79636 1.47547 14.70421 0.149330 0.100291 -0.054518
1.24643 4.63551 10.86193 3.853833 -0.415203 2.393245
3.89005 4.20092 12.88287 -25.962550 0.567604 -2.929067
1.04482 6.69020 17.44020 0.038045 0.004328 -0.120812
3.77370 7.04599 6.61024 -0.363132 0.077732 0.079107
0.71312 9.21049 2.53845 -0.019168 -0.036519 -0.033841
3.86880 9.70388 4.59023 -0.044340 -0.009817 -0.010435
1.19399 7.29663 8.75952 -0.120192 -0.747983 0.719000
4.14925 6.52609 15.71477 -0.640015 -0.242246 -0.026061
1.16791 10.19708 10.50563 -0.060033 -0.262005 -0.103852
3.90202 11.30466 11.97145 -0.191723 0.009225 0.007499
1.41963 13.48240 16.88000 -0.036780 0.003403 0.014787
3.89470 12.50036 6.39588 -0.093001 -0.003395 -0.007121
1.24092 15.65995 2.03746 -0.009332 0.029490 -0.012300
3.45676 13.88732 3.60018 -0.036384 0.008306 -0.010844
1.37686 12.90671 8.69683 -0.037997 -0.044313 0.051089
4.20896 12.98001 14.89140 -0.057711 -0.011064 0.015880
1.28271 15.54574 11.35729 -0.063469 0.086687 -0.082622
4.02704 16.14416 13.12883 -0.172784 -0.007726 0.058597
8.51844 2.13686 0.32759 -0.029454 -0.047169 0.121229
10.42520 1.68659 6.72748 0.170187 -0.069295 -0.033294
6.89192 4.41938 2.41726 -0.068502 0.043653 0.025647
10.22536 4.35381 4.16682 0.038361 -0.013939 -0.061437
7.19238 2.15284 8.75827 -0.183047 -0.540992 -0.734764
10.67141 2.29852 15.08728 0.178378 -0.152648 0.174772
7.24075 4.59797 11.01224 2.126331 -0.094739 -1.869979
10.30176 4.56419 12.61212 0.935522 0.004862 0.362926
6.40057 6.85176 0.36515 -0.165875 -0.010211 -0.006060
9.75325 6.62606 6.90745 0.129008 0.024893 -0.102750
6.24007 9.67823 1.67645 -0.032877 0.000970 0.009020
6.65558 7.06042 8.79421 -0.358251 0.620952 -0.709028
11.80692 6.94639 14.05727 0.249504 0.144357 0.151673
6.39955 9.97659 10.34026 -0.100462 0.227754 0.075676
11.03265 10.16848 13.84914 0.054267 0.066415 0.015879
6.77345 12.10505 16.99256 -0.024521 -0.002109 0.007100
10.32223 13.09442 6.99099 0.047152 0.001966 0.001391
10.59365 15.96480 4.77521 0.040386 -0.030242 -0.033369
6.94250 12.79247 7.88185 -0.022561 0.006525 -0.069857
10.18654 12.31147 16.08279 0.027195 0.009381 0.039560
7.13888 17.01345 11.20310 -0.061368 -0.147729 0.020353
10.37682 0.23169 12.64835 0.177871 -0.065791 -0.024534
13.24904 1.54346 17.14370 0.197734 -0.020539 0.013634
15.89410 1.64185 6.44545 0.187522 0.010838 0.068612
12.98857 4.28042 2.14546 0.095416 0.015845 -0.005246
15.96785 4.32998 4.48967 0.069896 0.008379 0.077127
13.27097 1.52537 8.57426 0.189149 0.008638 -0.018974
16.03461 1.53130 15.21659 0.152183 0.221920 -0.196798
13.37701 3.97590 10.80799 0.398504 -0.022440 0.088431
16.23421 4.17555 13.11475 0.951319 0.138905 -0.680117
13.12188 6.75851 16.83328 0.137843 0.037748 0.033144
16.15350 6.82329 6.57280 0.199531 0.011309 0.171958
13.80451 11.28726 3.11364 0.055830 -0.018562 0.006535
16.01530 9.31599 4.57229 0.029543 -0.055622 0.051595
16.24774 6.95131 14.97400 0.089439 -0.220075 -0.183578
13.37358 11.10317 11.33384 0.111317 -0.015789 0.017710
16.26481 10.28310 12.82929 0.097961 -0.102965 0.022351
13.02958 12.87265 0.34345 0.053282 -0.004932 -0.002392
15.63587 13.81058 6.90598 0.051785 0.003258 -0.015357
13.11026 15.86276 1.91698 0.046799 -0.018707 -0.002773
16.04847 15.98249 4.25314 0.026314 0.047313 0.016877
12.92950 13.50280 9.01948 0.076177 -0.006514 -0.003265
16.03470 13.24150 15.21399 0.033242 -0.009632 -0.036153
13.00717 16.52927 10.76204 0.147770 -0.037633 -0.042064
15.92967 15.85673 13.13419 0.054779 0.069706 0.024747
1.86054 17.36365 1.29865 0.005833 -0.012527 0.014908
4.17830 2.73136 5.21241 0.068713 -0.007679 -0.009069
3.26426 5.75851 5.24301 0.058169 -0.019691 -0.000309
17.49829 1.67854 7.58538 -0.051725 -0.077969 -0.115529
1.16532 17.05709 10.27678 0.004551 -0.032120 0.039236
3.43296 5.28736 14.40974 3.259522 -0.182300 -0.278590
5.78979 4.58179 12.35127 4.651901 0.357556 -0.616740
2.66622 1.96025 16.18884 0.013329 -0.009551 -0.049644
17.32027 0.89679 16.51550 -0.008197 -0.016632 0.022617
0.46199 8.18893 0.93413 -0.004145 0.018498 0.031133
5.39231 10.11127 3.40660 0.018366 0.001690 -0.005678
2.32066 9.80687 3.44943 0.023579 0.008697 0.013089
4.91964 7.92130 14.71679 0.021518 0.115137 0.048074
2.68710 7.23238 16.69438 0.011625 0.145623 0.064248
0.01020 10.88204 2.02154 0.007535 0.010873 0.008086
4.21835 0.28129 6.98759 0.071805 -0.005787 0.002030
17.23783 13.81793 8.03064 -0.000041 0.004932 -0.006978
4.79582 14.66186 14.12172 0.029207 0.018858 -0.015375
1.82404 14.00413 10.26937 0.017415 -0.015637 0.009305
5.26768 16.92854 11.79676 0.089664 0.040988 -0.024244
10.96027 2.96124 5.34122 -0.025312 0.013178 0.028046
6.97457 3.04582 1.08259 0.031851 -0.007398 -0.029184
10.16898 6.05361 5.08582 -0.016506 0.011356 0.027941
8.34039 4.05066 3.68939 0.018740 -0.004873 0.006466
8.74489 2.42632 7.55292 -0.068361 0.077304 0.122370
7.18775 0.35634 9.46384 0.035164 0.075630 0.039560
11.47395 4.04892 11.19556 -0.279039 0.039381 0.007430
9.15080 2.77757 16.12393 0.014358 0.041288 -0.056212
7.98734 0.36277 0.04247 0.018966 0.012443 -0.021636
8.09306 7.37877 7.53063 0.024961 -0.039841 0.116135
5.20414 6.37683 7.73407 0.174621 -0.069434 0.152496
12.25313 11.32613 12.87115 -0.026614 -0.012395 0.007351
7.88582 9.71337 11.41294 0.010124 -0.021928 -0.025576
7.90588 7.26091 16.85699 0.018410 0.008579 -0.008388
11.07224 14.64349 6.08452 -0.006465 0.009000 0.002847
9.97410 0.03402 5.82220 -0.025089 0.036030 0.032917
11.77786 16.49122 3.26041 -0.017261 0.009453 0.019773
6.65717 11.67689 9.40508 0.014381 -0.028093 0.014960
7.76961 15.24886 11.07941 0.022254 0.022665 -0.007822
8.52712 0.41686 12.29829 -0.022261 0.053333 0.002232
13.11181 17.12784 0.26607 -0.021386 0.001766 -0.000227
13.20693 2.50512 1.34897 -0.025717 -0.002339 -0.000717
17.29335 3.71694 3.19979 -0.001546 -0.002854 -0.002131
14.20035 4.69758 3.69278 -0.032766 -0.002948 -0.022290
14.59997 3.56179 12.23787 -0.217443 -0.019113 0.016603
13.57708 5.48481 0.72232 -0.020176 -0.010188 0.003454
12.29749 8.18631 0.22048 -0.020893 -0.007395 -0.001647
16.86596 10.59176 5.62457 0.003130 0.009485 -0.005548
16.66958 8.43890 13.63905 -0.033045 0.056811 -0.001505
16.67265 11.67449 14.15979 -0.009675 0.031052 0.012952
14.70756 7.45696 15.98014 -0.051912 0.004082 0.036185
16.06899 0.34084 4.92526 -0.026919 -0.020731 -0.026642
14.63768 15.41566 3.05858 -0.013764 -0.001850 -0.009735
12.21694 15.07373 9.87203 -0.022566 0.012564 0.003865
15.65466 0.14914 13.86557 -0.015595 -0.052414 -0.007133
14.35754 15.71932 11.91759 -0.030866 -0.002537 -0.013228
14.30081 12.83268 16.21967 -0.013535 0.000927 0.012107
8.77223 10.39607 2.47225 0.005283 -0.002345 -0.001918
12.91187 8.54216 10.48161 0.028037 0.007563 -0.004699
8.49467 15.82840 2.99445 0.000792 -0.003942 -0.002476
1.32045 2.68577 1.08043 0.019737 -0.011619 0.010752
5.44581 4.42337 3.31859 0.094442 -0.006353 -0.038028
2.71895 4.15019 2.95898 0.061770 -0.003321 0.037421
2.89361 2.63574 7.84048 0.391599 -0.151878 -0.210199
3.72928 2.61904 13.46082 3.305854 1.489294 -0.758928
1.12195 3.42722 9.72736 -0.472590 -0.555030 -1.201931
2.69176 4.49808 11.70258 8.266482 -1.080742 5.045745
1.13271 5.33613 0.95032 0.005245 -0.037012 0.059640
4.03043 8.42197 5.67301 0.065923 -0.000644 0.001341
3.75157 11.03623 5.64253 0.029901 0.010616 0.008754
2.52170 7.25791 7.75547 0.321151 0.051771 -0.287717
17.39856 7.13193 7.68295 -0.171603 0.062346 -0.263313
1.18188 6.06412 9.94036 -0.422495 0.956044 -0.987092
1.18202 8.73358 9.65531 0.027809 0.314216 0.041902
3.91098 11.84592 13.59643 0.035942 0.006950 -0.001480
5.12928 10.31683 11.41789 0.142939 -0.084584 -0.059881
2.50977 10.51875 11.46580 0.135510 0.077538 0.053656
17.45087 6.59897 16.12377 -0.001794 0.038057 0.079682
3.55980 13.67281 5.25157 0.023667 -0.003198 0.009518
1.28803 14.62748 0.64715 0.011718 -0.010627 -0.004012
4.98905 14.24610 3.11864 0.027652 0.003750 -0.002578
2.40264 15.06164 3.08512 0.029380 -0.020046 0.015665
2.72172 12.72875 7.62075 0.058206 -0.000347 -0.033934
1.06333 11.39589 9.35618 0.020372 0.095200 -0.032115
3.61212 17.43666 14.11103 0.030465 -0.039489 -0.008085
2.61877 15.69429 12.36150 0.127606 -0.000672 0.051260
2.80206 13.36593 15.83914 0.053046 -0.002780 -0.028966
17.47316 13.58140 16.05649 0.016444 0.004305 0.013864
9.77890 2.08644 1.42003 -0.017510 0.008419 -0.046263
11.39452 4.37239 2.86549 -0.080230 -0.003030 0.046910
5.75314 2.47184 7.89843 0.342968 0.058077 0.258450
10.58974 3.42804 13.84178 -0.161819 0.144566 -0.189101
7.29963 3.26088 10.01774 -0.340796 0.859666 1.096522
10.61644 6.04073 13.30213 -0.282732 -0.204838 -0.158097
8.72282 4.57356 11.93667 -1.515295 0.064180 -0.248898
6.87268 5.85394 1.60201 0.047508 -0.024043 0.009712
10.69996 7.99849 7.09252 -0.053410 -0.028616 0.020060
5.73707 8.23825 1.01832 0.049772 0.003317 -0.002630
10.63831 11.82289 5.95914 -0.009028 -0.000531 0.007782
12.27791 10.92294 3.59234 -0.025599 -0.002445 0.008757
7.82470 9.40720 2.06031 0.021246 -0.005468 -0.000747
7.06519 5.95381 10.03323 -0.106232 -0.949610 1.264334
11.49637 8.56646 14.11248 -0.039197 -0.057772 -0.016938
6.22218 8.54831 9.46647 0.079098 -0.251009 0.014429
10.64255 10.88430 15.28736 -0.007913 -0.022223 -0.024706
5.27533 6.08183 16.89617 0.325464 0.048575 0.195353
6.19392 10.87447 0.49133 0.018431 0.005408 -0.008731
6.63594 13.50144 0.40946 0.009804 0.003813 -0.001480
9.20318 15.33527 4.12194 0.001023 0.012449 0.009303
8.65369 12.87516 7.41323 -0.025563 -0.005482 0.015153
5.50203 12.61795 6.94111 0.083898 0.003136 0.041444
10.10713 13.64215 15.27789 -0.007188 0.007065 -0.014774
10.67911 0.87544 14.08625 -0.051375 0.039934 -0.012099
11.60356 17.20368 11.75834 -0.145028 0.052982 0.067116
8.39118 11.91622 16.60701 0.014984 -0.002755 -0.008727
5.50451 12.34914 15.80657 0.026836 -0.000113 0.001305
15.73327 3.04046 5.55542 -0.040000 0.015607 -0.047954
16.46394 5.60663 5.46979 -0.039658 -0.035753 -0.072158
14.52808 1.45286 7.47168 -0.135602 -0.009314 0.053408
11.79275 1.56088 7.78873 -0.129751 0.013624 -0.036830
13.32704 0.21681 9.64565 -0.046702 -0.011576 0.013446
16.41790 2.90736 14.26355 -0.177674 -0.228760 0.214063
13.45171 2.82808 9.57211 -0.115249 0.014654 0.005797
16.10069 5.57752 13.99343 -0.157046 0.214262 0.228205
0.00005 4.40711 11.99025 -1.330825 -0.112215 0.437967
14.62884 1.73967 16.17160 -0.149210 -0.023331 0.101136
11.98368 2.03831 16.06725 -0.170811 0.051851 -0.109428
15.63239 8.11986 5.68103 -0.036288 0.054490 -0.063102
17.11138 8.55854 3.60414 0.005469 0.014697 -0.002839
14.79559 9.98222 3.60061 -0.034334 0.028444 -0.021973
14.83832 6.40254 7.47085 -0.066426 -0.005769 -0.004296
10.26118 5.42988 7.96507 -0.054968 -0.011160 0.059836
13.84142 5.42996 10.14226 -0.123340 -0.017655 0.010287
12.90067 9.94534 10.26834 -0.027591 -0.010648 -0.003924
17.40760 10.25314 11.57387 -0.016118 0.057388 0.025520
14.84553 10.65634 12.01294 -0.103060 0.040970 -0.042155
12.09160 6.31793 15.56215 -0.102665 -0.019410 -0.103913
13.66330 11.76838 1.50243 -0.013308 0.006386 -0.006393
15.90808 14.97969 5.66759 -0.008272 -0.014821 0.000760
12.90234 14.38066 1.10662 -0.012773 0.009114 0.002869
17.39979 15.79595 3.12260 0.001418 -0.013574 -0.002829
14.24465 13.87010 7.98683 -0.049868 -0.001894 0.028184
11.50975 12.98027 8.22780 -0.033082 -0.002742 -0.014060
13.37751 12.44417 10.26044 -0.022306 0.010183 -0.007599
15.76289 14.59733 14.23402 -0.012679 -0.021252 0.010041
17.35248 15.55367 12.27553 -0.010781 -0.028889 0.013328
11.51892 12.39014 17.28946 -0.042822 -0.006591 -0.022246
2.14782 0.44560 2.19550 0.003529 -0.001440 0.003202
3.29477 2.11300 4.94555 0.007690 0.006175 0.017063
2.45654 5.15830 5.71352 0.010421 0.003342 0.016213
17.13665 1.28635 8.55333 0.020687 0.027337 0.005143
2.05496 17.16622 9.63831 0.000173 0.006279 -0.002822
2.76007 4.61458 14.97268 0.665929 -0.536920 -0.990605
5.82104 5.64963 12.65472 0.199117 0.077614 0.079654
1.99867 2.73895 15.76239 0.035869 -0.001337 -0.046113
16.62702 0.41219 17.23014 0.009657 -0.010191 0.008683
0.53299 8.97932 0.15968 0.007397 -0.006692 -0.000319
6.28070 9.99466 4.05905 0.007703 0.002698 0.000067
2.80484 10.34140 2.60493 0.003867 -0.000621 -0.001536
5.85876 7.59725 14.24081 0.102296 0.063783 -0.000768
2.33378 8.07412 16.06384 -0.014850 0.017225 0.019587
0.72196 11.42800 1.39191 0.003041 -0.000154 -0.000577
4.17641 17.36384 8.00554 -0.006829 -0.000363 0.001601
0.17664 14.81238 7.80592 -0.000667 0.002514 0.001525
5.28314 15.15948 14.98492 0.003753 0.000048 0.001985
1.99589 13.21868 11.02572 0.003176 -0.009630 -0.005114
4.90269 16.46159 10.85427 0.007903 0.013409 -0.001340
11.44760 2.27402 4.62061 -0.002671 -0.003080 0.008961
6.42001 2.18281 1.50214 0.006447 0.001254 -0.007513
11.20298 6.44871 5.00937 0.001347 -0.000559 0.005667
8.23943 2.94593 3.71752 0.004476 -0.001414 0.001016
9.07830 3.43667 7.86385 0.026357 0.018099 -0.026570
8.13841 17.45818 9.05432 0.004345 0.019758 0.001183
11.09062 4.59939 10.31069 0.005939 -0.004359 -0.018642
8.29143 2.75175 15.42638 -0.010375 -0.026033 0.010863
8.82941 17.22992 17.22214 0.005481 -0.003323 0.002216
7.50840 7.62286 6.62087 -0.023449 -0.025565 0.033807
4.60511 5.74329 8.41778 -0.051639 0.003905 -0.016740
12.92668 11.75537 13.63632 0.003062 -0.004795 -0.001406
8.02117 10.55523 12.10517 0.000003 -0.014996 0.000809
8.67556 7.71636 17.49570 0.014141 -0.003610 -0.011873
11.47875 15.24589 6.91703 0.007004 -0.002367 0.000878
9.35972 16.97903 6.56192 0.000790 -0.005047 -0.001513
11.03713 17.07922 2.67792 0.002452 0.000997 -0.000296
7.42775 12.08916 10.09180 0.006118 -0.002698 0.003357
7.92017 14.83580 12.09082 0.001398 0.003832 0.001325
8.50905 1.48718 11.99359 0.032948 -0.028507 -0.000830
13.83892 16.58967 17.12637 0.004491 0.005569 0.002690
14.18064 2.16404 1.76300 0.001639 0.003012 -0.007037
0.22637 2.85420 3.74771 -0.000799 0.001676 0.005062
13.55731 4.46328 4.56374 0.007645 0.000330 0.003880
13.93368 3.48067 13.12140 -0.031231 -0.029128 0.000967
14.29477 4.78199 0.25086 0.002807 0.002821 -0.001531
12.05112 9.01860 17.04503 0.006254 0.001409 0.001829
16.27694 10.80430 6.52497 0.006867 -0.002839 0.001440
16.72250 7.84092 12.70809 0.015412 -0.009268 0.017387
0.08131 12.14367 13.72814 0.001466 0.004397 0.000862
15.18747 8.06134 16.77823 -0.006355 0.003714 0.002867
15.33129 0.80027 4.23469 0.005973 -0.003551 -0.013567
15.22283 14.74953 2.39790 0.001119 -0.000263 -0.001767
11.52991 14.60593 10.60396 0.003284 -0.004156 0.001035
14.54913 0.08259 13.94141 -0.002335 -0.004824 -0.000823
13.64918 15.17179 12.57877 0.003360 -0.005061 0.001407
14.26990 11.73639 16.04700 0.006089 -0.000223 0.001283
2.83011 17.00291 0.89614 0.004146 -0.000454 -0.001309
5.01762 2.19884 4.72481 0.005147 -0.004527 -0.017581
2.72197 6.40768 4.52960 0.015341 0.007449 0.007139
0.61592 0.85326 7.17988 -0.013839 -0.026556 -0.015670
1.05804 0.47662 10.87149 0.016268 0.014305 -0.011061
2.72869 6.02833 13.97220 0.619253 -0.687424 -0.867536
6.27365 4.07474 13.21275 1.049168 0.266565 0.264816
3.39789 2.54642 16.78232 0.009664 -0.001747 -0.012801
0.26647 0.03376 15.97352 0.004069 0.000185 -0.000106
16.86896 8.04953 1.06168 0.001845 0.002923 0.004494
5.26691 11.21282 3.35522 0.004222 -0.000593 -0.000234
1.79651 10.63408 3.97172 0.006357 -0.000357 0.002967
4.24367 8.25477 13.91418 -0.011344 -0.011866 0.016101
3.20146 7.72932 0.04071 -0.030026 0.028422 0.024272
17.29565 11.52683 2.88643 0.003489 0.003188 0.000965
5.09458 17.34903 6.48077 0.007347 -0.016977 -0.007675
16.80060 13.95067 9.04167 0.007890 -0.000068 0.000653
5.65314 14.35380 13.49055 0.009314 -0.005304 0.001084
2.85103 14.37043 10.06567 0.004344 0.004213 -0.001291
4.88020 0.46410 11.72901 -0.046262 -0.019331 -0.003688
11.82432 3.49932 5.78478 0.004086 -0.005347 -0.000366
6.33916 3.40343 0.25044 -0.009848 0.002590 0.011989
9.59394 6.71839 4.41200 0.004051 -0.000614 -0.000274
7.91802 4.38505 4.66043 -0.003436 0.001171 -0.002571
8.23543 2.62518 6.58554 -0.015806 -0.001486 0.028436
6.41431 17.32071 8.88054 -0.004221 0.032790 0.006143
11.14557 3.00954 10.98712 0.010741 -0.015666 -0.009078
9.36027 3.86210 16.23230 0.011796 0.004393 0.013200
7.53966 17.41529 0.94072 0.005365 0.007060 -0.003156
8.48774 8.36338 7.84778 0.005338 -0.005481 0.006862
5.72768 5.64505 7.08615 0.013681 -0.004707 -0.006590
11.53162 12.14308 12.66419 0.001778 0.002339 0.002216
7.77778 8.79967 12.01567 0.016057 0.011107 0.023442
7.67148 7.97660 16.05599 0.001044 0.012366 0.006076
11.96712 14.11387 5.69832 0.002594 0.002329 -0.000528
9.20674 0.45352 5.13285 -0.000225 -0.002799 -0.003544
12.42086 17.27854 3.71166 0.005760 -0.001689 -0.001289
5.72984 12.20671 9.71226 0.001458 -0.012284 0.002575
7.06651 14.59485 10.54611 0.001238 0.008024 0.001325
8.18003 0.43236 13.34917 0.000172 -0.018933 0.007197
12.13433 16.79403 17.35819 0.002032 -0.007537 -0.000600
12.47800 1.85419 1.86970 0.006582 -0.003069 0.004339
16.61133 3.22326 2.47663 0.008555 -0.001989 -0.005234
14.18380 5.80672 3.64923 0.005077 0.000237 -0.000925
14.87276 2.50739 12.03337 0.009881 0.010675 -0.005932
14.23243 6.19147 1.27631 -0.000129 -0.000322 -0.003417
12.93327 8.58137 1.02753 0.005779 -0.003975 -0.004824
0.31818 10.15222 5.96061 -0.000873 -0.003822 0.002270
0.23893 8.66414 13.84372 -0.001474 -0.007343 -0.006286
17.08408 11.06555 14.99139 0.000518 -0.004319 -0.004207
14.24371 8.22849 15.33189 0.004991 0.008042 0.001423
17.03243 0.72423 4.52831 0.001223 0.000047 0.006323
14.06257 14.70897 3.69175 0.003260 -0.003607 -0.000829
11.55248 15.52990 9.11606 0.001479 -0.001732 -0.004988
15.79992 0.71375 12.92180 0.017800 0.008240 0.012431
14.66771 14.92743 11.20480 -0.001425 0.001160 -0.006624
13.59723 13.22883 15.45681 0.004964 0.000928 -0.000807
0.28893 16.96969 9.61776 0.006930 -0.002462 -0.004245
5.14861 8.79609 15.34428 0.077215 0.024484 -0.058549
16.57887 10.76457 1.44815 0.006736 -0.003384 -0.000239
3.32280 17.43531 6.45000 0.009321 0.016751 0.007846
7.22345 0.33037 16.74849 -0.003582 -0.004330 0.002682
8.80270 9.61454 10.81195 0.010111 0.001374 0.005375
8.32656 6.35754 16.39008 0.025441 -0.009813 0.010353
8.73549 15.20213 10.55252 0.006591 -0.005261 -0.000106
11.35757 7.84337 0.68199 -0.000477 0.005082 0.005676
17.07689 11.54135 5.11708 0.004344 0.003387 -0.001098
1.05898 4.30352 7.32607 0.021637 -0.027390 -0.105668
4.03509 12.56543 11.20951 0.026625 -0.000543 -0.001877
2.98241 12.61908 2.99845 0.009091 -0.000529 0.001150
13.02951 6.77394 13.23542 -0.037282 -0.014542 -0.008969
9.81405 10.04557 13.02717 -0.005922 -0.008939 -0.001244
14.38062 12.44509 3.83928 -0.002071 0.001883 -0.000099
15.29130 12.60070 6.14349 -0.002260 -0.000369 0.001053
1.51212 12.17674 0.04632 0.008320 0.001188 -0.001968
5.20365 1.54821 15.21091 0.136478 -0.061153 0.144149
6.79297 14.20253 8.32851 0.005472 -0.000351 0.012185
11.61515 7.96197 6.76612 0.012926 0.004350 -0.000362
10.25461 10.96603 6.21744 0.008896 0.005726 -0.004081
11.90891 11.26603 4.43245 0.014594 -0.001203 -0.009170
8.53540 10.78259 3.48001 0.002538 0.001472 0.000238
9.76681 9.93079 2.50215 0.005834 0.001678 -0.000616
8.80784 11.23977 1.76494 0.004547 0.000220 0.001239
14.97448 6.01037 8.35394 0.045758 0.002661 -0.008033
10.93413 4.83383 7.59381 0.015635 0.003547 -0.002092
13.14865 5.92816 9.67432 0.025471 0.012435 -0.016980
12.65000 8.06887 9.52187 0.009161 -0.001176 -0.002214
13.90414 8.18239 10.79823 -0.002366 -0.001717 -0.003412
12.16474 8.24325 11.23577 -0.001280 0.001072 0.009484
5.27827 14.04824 2.20496 -0.003214 -0.000261 0.003766
10.20084 2.92381 1.69633 0.016398 0.006486 0.008622
7.46833 14.00510 0.41146 0.003151 -0.003177 0.001062
7.48179 15.39929 3.01468 0.003476 0.000219 0.000356
8.41010 16.93048 3.00754 0.003945 0.001576 0.000803
8.99741 15.53505 2.05618 0.005771 -0.000577 0.001362
-----------------------------------------------------------------------------------
total drift: 0.000000 0.000000 0.000000
BORN EFFECTIVE CHARGE FOR ION 8 DIRECTION 1 : 3.199 -0.123 -0.118
rigid augmentation : 0.196 0.000 0.000
ionic contribution : 4.000 0.000 0.000
Berry contribution : -0.997 -0.123 -0.118
--------------------------------------------------------------------------------------------------------
Linear response progress:
Degree of freedom: 23/***
LATTYP: Found a simple cubic cell.
ALAT = 17.5000000000
Lattice vectors:
A1 = ( 17.5000000000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 17.5000000000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 17.5000000000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple cubic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 48 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Subroutine INISYM returns: Found 1 space group operations
(whereof 1 operations are pure point group operations),
and found 1 'primitive' translations
----------------------------------------- Iteration 26( 1) ---------------------------------------
BZINTS: Fermi energy: 0.258939; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258965; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01036851
-V(xc)+E(xc) XCENC = 0.02117863
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.03526132
---------------------------------------------------
free energy TOTEN = -0.02445120 eV
energy without entropy = -0.02445120
----------------------------------------- Iteration 26( 2) ---------------------------------------
BZINTS: Fermi energy: 0.258939; 1190.000000 electrons
Band energy:-0.912006E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258965; 1190.000000 electrons
Band energy:-0.912022E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.96409E+00 rms(broyden)= 0.96322E+00
rms(prec ) = 0.10337E+01
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.01036851
-V(xc)+E(xc) XCENC = 0.02117863
PAW double counting = 0.00000000 0.00000000
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01333337
---------------------------------------------------
free energy TOTEN = -0.00252325 eV
energy without entropy = -0.00252325
----------------------------------------- Iteration 26( 3) ---------------------------------------
BZINTS: Fermi energy: 0.258944; 1190.000000 electrons
Band energy:-0.912008E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258960; 1190.000000 electrons
Band energy:-0.912021E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.58505E+00 rms(broyden)= 0.58497E+00
rms(prec ) = 0.63250E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.4413
2.4413
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00960570
-V(xc)+E(xc) XCENC = 0.01817069
PAW double counting = 0.01724659 -0.01724872
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01331362
---------------------------------------------------
free energy TOTEN = -0.00475076 eV
energy without entropy = -0.00475076
----------------------------------------- Iteration 26( 4) ---------------------------------------
BZINTS: Fermi energy: 0.258951; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258953; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.10234E+00 rms(broyden)= 0.10220E+00
rms(prec ) = 0.13051E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 2.0248
1.6384 2.4113
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00880988
-V(xc)+E(xc) XCENC = 0.01593953
PAW double counting = 0.10987927 -0.10989073
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01363450
---------------------------------------------------
free energy TOTEN = -0.00651632 eV
energy without entropy = -0.00651632
----------------------------------------- Iteration 26( 5) ---------------------------------------
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912010E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258954; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.52813E-01 rms(broyden)= 0.52782E-01
rms(prec ) = 0.70316E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7073
2.5847 1.7500 0.7872
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00849863
-V(xc)+E(xc) XCENC = 0.01552247
PAW double counting = 0.11880277 -0.11881332
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01392729
---------------------------------------------------
free energy TOTEN = -0.00691400 eV
energy without entropy = -0.00691400
----------------------------------------- Iteration 26( 6) ---------------------------------------
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912018E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.27634E-01 rms(broyden)= 0.27623E-01
rms(prec ) = 0.41478E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.7186
2.7203 2.1750 0.9895 0.9895
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00846493
-V(xc)+E(xc) XCENC = 0.01548131
PAW double counting = 0.12266019 -0.12267121
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01395429
---------------------------------------------------
free energy TOTEN = -0.00694893 eV
energy without entropy = -0.00694893
----------------------------------------- Iteration 26( 7) ---------------------------------------
BZINTS: Fermi energy: 0.258949; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.13708E-01 rms(broyden)= 0.13698E-01
rms(prec ) = 0.22157E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8263
3.0529 2.4579 1.7198 0.9503 0.9503
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00844090
-V(xc)+E(xc) XCENC = 0.01550109
PAW double counting = 0.12247553 -0.12248653
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01398648
---------------------------------------------------
free energy TOTEN = -0.00693729 eV
energy without entropy = -0.00693729
----------------------------------------- Iteration 26( 8) ---------------------------------------
BZINTS: Fermi energy: 0.258949; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.53266E-02 rms(broyden)= 0.53180E-02
rms(prec ) = 0.92015E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.8509
3.6781 2.4712 1.8519 1.1726 0.9658 0.9658
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00843297
-V(xc)+E(xc) XCENC = 0.01556108
PAW double counting = 0.12139682 -0.12140776
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01400836
---------------------------------------------------
free energy TOTEN = -0.00689119 eV
energy without entropy = -0.00689119
----------------------------------------- Iteration 26( 9) ---------------------------------------
BZINTS: Fermi energy: 0.258949; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.31574E-02 rms(broyden)= 0.31527E-02
rms(prec ) = 0.45819E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9533
4.1467 2.6501 2.3407 1.5318 0.9945 1.0047 1.0047
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00842546
-V(xc)+E(xc) XCENC = 0.01557925
PAW double counting = 0.12125288 -0.12126382
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01402032
---------------------------------------------------
free energy TOTEN = -0.00687748 eV
energy without entropy = -0.00687748
----------------------------------------- Iteration 26( 10) ---------------------------------------
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.12643E-02 rms(broyden)= 0.12614E-02
rms(prec ) = 0.17946E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9811
4.7351 2.8855 2.4342 1.7639 1.2054 0.9591 0.9591 0.9067
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00842472
-V(xc)+E(xc) XCENC = 0.01558470
PAW double counting = 0.12119293 -0.12120388
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01402101
---------------------------------------------------
free energy TOTEN = -0.00687198 eV
energy without entropy = -0.00687198
----------------------------------------- Iteration 26( 11) ---------------------------------------
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.54313E-03 rms(broyden)= 0.54194E-03
rms(prec ) = 0.82075E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9711
4.9590 2.9391 2.4786 2.0026 1.4597 1.0242 1.0242 0.9814 0.8706
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00842405
-V(xc)+E(xc) XCENC = 0.01558324
PAW double counting = 0.12125793 -0.12126891
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01402055
---------------------------------------------------
free energy TOTEN = -0.00687233 eV
energy without entropy = -0.00687233
----------------------------------------- Iteration 26( 12) ---------------------------------------
BZINTS: Fermi energy: 0.258950; 1190.000000 electrons
Band energy:-0.912011E+04; BLOECHL correction: 0.000000
BZINTS: Fermi energy: 0.258955; 1190.000000 electrons
Band energy:-0.912017E+04; BLOECHL correction: 0.000000
Broyden mixing:
rms(total) = 0.25001E-03 rms(broyden)= 0.24969E-03
rms(prec ) = 0.40443E-03
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.9949
5.0611 3.3476 2.5628 2.3268 1.7350 1.1416 0.9697 0.9697 0.9752 0.8592
Free energy of the ion-electron system (eV)
---------------------------------------------------
-Hartree energ DENC = -0.00842387
-V(xc)+E(xc) XCENC = 0.01558197
PAW double counting = 0.12128696 -0.12129792
entropy T*S EENTRO = 0.00000000
eigenvalues EBANDS = -0.01401957
---------------------------------------------------
free energy TOTEN = -0.00687243 eV
energy without entropy = -0.00687243
----------------------------------------- Iteration 26( 13) ---------------------------------------