vasp.6.4.1 05Apr23 (build Apr 16 2023 22:14:57) gamma-only
MD_VERSION_INFO: Compiled 2023-04-16T20:44:05-UTC in mrdevlin:/home/medea/data/
build/vasp6.4.1/19212/x86_64/src/src/build/gam from svn 19212
This VASP executable licensed from Materials Design, Inc.
executed on Lin64 date 2024.12.01 15:58:48
running 4 mpi-ranks, on 1 nodes
distrk: each k-point on 4 cores, 1 groups
distr: one band on NCORE= 1 cores, 4 groups
--------------------------------------------------------------------------------------------------------
INCAR:
SYSTEM = MT from job 1251 (LKU-53)
PREC = Normal
ENCUT = 400.000
IBRION = 2
NSW = 100
ISIF = 2
NELMIN = 2
EDIFF = 1.0e-05
EDIFFG = -0.02
VOSKOWN = 1
NBLOCK = 1
NWRITE = 1
NELM = 60
ALGO = Normal (blocked Davidson)
ISPIN = 1
INIWAV = 1
ISTART = 0
ICHARG = 2
LWAVE = .FALSE.
LCHARG = .FALSE.
ADDGRID = .FALSE.
ISMEAR = 1
SIGMA = 0.2
LREAL = .FALSE.
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
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have a (more or less) 'large supercell' and for larger cells it |
| might be more efficient to use real-space projection operators. |
| Therefore, try LREAL= Auto in the INCAR file. |
| Mind: For very accurate calculation, you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.). |
| |
-----------------------------------------------------------------------------
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: MT from job 1251 (LKU-53)
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 0.040 0.086 0.995- 218 1.48 137 1.68 71 1.95 70 1.99
2 0.263 0.086 0.384- 129 1.65 159 1.67 147 1.69 73 1.94
3 0.984 0.276 0.040- 217 1.48 229 1.62 138 1.65 71 1.89
4 0.311 0.240 0.295- 129 1.68 130 1.68 107 1.84 72 1.87
5 0.099 0.106 0.525- 131 1.64 132 1.65 134 1.67 73 1.93
6 0.281 0.105 0.785- 165 1.64 153 1.64 133 1.64 108 1.85
7 0.096 0.272 0.619- 134 1.65 136 1.65 142 1.65 194 1.69
8 0.270 0.269 0.699- 133 1.65 135 1.65 136 1.70 74 1.89
9 0.018 0.460 0.991- 221 1.48 138 1.76 81 1.90 75 1.91
10 0.253 0.416 0.359- 139 1.69 72 1.89 77 1.94 90 1.94
11 0.068 0.597 0.130- 200 1.69 76 1.93 82 1.94 75 1.94
12 0.245 0.553 0.219- 219 1.48 140 1.65 139 1.68 76 1.92
13 0.086 0.376 0.463- 142 1.64 141 1.66 144 1.67 77 1.88
14 0.289 0.399 0.841- 143 1.68 135 1.69 109 1.87 91 1.97
15 0.296 0.582 0.808- 143 1.73 110 1.91 79 1.94 80 1.98
16 0.081 0.773 0.003- 155 1.73 146 1.77 82 1.94 85 1.94
17 0.262 0.803 0.411- 150 1.69 145 1.70 184 1.70 124 1.85
18 0.098 0.926 0.128- 236 1.49 146 1.68 149 1.78 70 1.97
19 0.241 0.932 0.271- 147 1.64 145 1.65 149 1.68 148 1.70
20 0.086 0.851 0.465- 152 1.65 151 1.68 150 1.70 111 1.86
21 0.258 0.759 0.862- 189 1.65 79 1.96 83 1.99 85 2.02
22 0.094 0.944 0.625- 132 1.66 152 1.67 213 1.67 84 1.87
23 0.271 0.925 0.722- 153 1.66 154 1.68 84 1.88 83 1.95
24 0.403 0.123 0.915- 223 1.50 224 1.50 165 1.65 88 1.86
25 0.582 0.093 0.381- 158 1.66 156 1.68 180 1.71 97 1.94
26 0.412 0.305 0.172- 166 1.67 130 1.67 157 1.68 112 1.84
27 0.568 0.237 0.249- 225 1.50 157 1.66 156 1.70 86 1.91
28 0.424 0.085 0.492- 162 1.63 160 1.65 159 1.68 158 1.68
29 0.576 0.119 0.853- 161 1.65 187 1.67 196 1.73 88 1.86
30 0.439 0.253 0.583- 164 1.64 162 1.68 172 1.69 74 1.93
31 0.572 0.255 0.725- 163 1.57 161 1.75 164 1.75 87 1.95
32 0.421 0.408 0.019- 177 1.66 168 1.67 166 1.70 91 1.99
33 0.582 0.428 0.330- 202 1.65 171 1.66 167 1.67 86 1.91
34 0.408 0.577 0.118- 178 1.61 140 1.67 168 1.69 170 1.70
35 0.568 0.593 0.227- 170 1.65 167 1.68 169 1.69 89 2.16
36 0.446 0.400 0.461- 172 1.67 171 1.67 125 1.85 90 1.94
37 0.445 0.651 0.660- 226 1.48 176 1.66 80 1.95 92 1.96
38 0.599 0.663 0.750- 174 1.64 173 1.64 176 1.65 175 1.67
39 0.419 0.711 0.968- 227 1.52 189 1.75 113 1.92 178 1.93 93 2.07
40 0.597 0.772 0.384- 179 1.71 183 1.73 209 1.76 89 2.06
41 0.415 0.931 0.194- 148 1.58 182 1.58 114 1.81
42 0.583 0.932 0.274- 180 1.64 179 1.65 181 1.67 182 1.70
43 0.436 0.795 0.503- 186 1.65 184 1.73 183 1.74 92 1.95
44 0.597 0.804 0.862- 185 1.66 216 1.68 174 1.69 93 1.85
45 0.429 0.941 0.618- 154 1.64 188 1.65 160 1.65 186 1.66
46 0.559 0.962 0.759- 228 1.47 185 1.65 187 1.65 188 1.65
47 0.719 0.067 0.975- 196 1.65 190 1.68 191 1.71 100 1.88
48 0.931 0.077 0.439- 131 1.67 115 1.87 96 1.87 94 1.92
49 0.821 0.190 0.087- 191 1.62 116 1.83 95 1.89
50 0.897 0.174 0.271- 192 1.66 127 1.87 94 1.88 95 1.97
51 0.753 0.105 0.523- 193 1.67 96 1.92 98 1.93 97 1.99
52 0.901 0.009 0.908- 137 1.69 212 1.69 117 1.86 100 1.89
53 0.760 0.226 0.667- 193 1.67 195 1.74 118 1.87 87 1.88
54 0.927 0.293 0.715- 230 1.49 195 1.67 194 1.71 99 1.99
55 0.774 0.468 0.989- 207 1.64 198 1.64 197 1.65 206 1.65
56 0.991 0.322 0.325- 192 1.65 201 1.65 141 1.66 119 1.86
57 0.708 0.615 0.090- 232 1.48 198 1.67 169 1.70 103 1.91
58 0.979 0.601 0.301- 231 1.49 199 1.66 200 1.67 120 1.86
59 0.892 0.476 0.839- 206 1.69 81 1.91 102 1.91 99 1.97
60 0.721 0.708 0.647- 175 1.66 210 1.68 205 1.68 121 1.89
61 0.871 0.657 0.754- 203 1.66 204 1.67 205 1.68 102 1.89
62 0.737 0.791 0.981- 216 1.66 215 1.73 103 1.93 105 1.93
63 0.935 0.762 0.396- 199 1.65 151 1.67 208 1.69 104 1.85
64 0.697 0.948 0.118- 190 1.68 181 1.74 126 1.86 105 1.91
65 0.837 0.782 0.251- 235 1.49 237 1.49 122 1.88 104 1.89
66 0.768 0.773 0.495- 210 1.66 208 1.67 211 1.68 209 1.74
67 0.913 0.774 0.891- 203 1.67 215 1.72 155 1.73 106 1.97
68 0.795 0.920 0.623- 214 1.70 211 1.72 123 1.87 98 1.93
69 0.944 0.930 0.743- 213 1.68 214 1.68 212 1.69 106 1.92
70 0.080 0.033 0.091- 238 1.11 273 1.11 18 1.97 1 1.99
71 0.053 0.199 0.001- 239 1.11 274 1.11 3 1.89 1 1.95
72 0.235 0.317 0.314- 275 1.10 240 1.10 4 1.87 10 1.89
73 0.188 0.125 0.459- 276 1.11 241 1.11 5 1.93 2 1.94
74 0.339 0.293 0.617- 277 1.11 242 1.11 8 1.89 30 1.93
75 0.994 0.532 0.073- 243 1.10 278 1.11 9 1.91 11 1.94
76 0.162 0.537 0.145- 244 1.11 279 1.11 12 1.92 11 1.93
77 0.165 0.441 0.424- 280 1.10 245 1.11 13 1.88 10 1.94
78 1.000 0.489 0.535- 222 1.10 220 1.10 373 1.10 144 1.43
79 0.233 0.674 0.791- 281 1.10 246 1.11 15 1.94 21 1.96
80 0.376 0.590 0.726- 282 1.11 247 1.11 37 1.95 15 1.98
81 0.989 0.496 0.891- 283 1.11 248 1.11 9 1.90 59 1.91
82 0.085 0.702 0.091- 249 1.11 284 1.11 16 1.94 11 1.94
83 0.281 0.863 0.816- 250 1.11 285 1.11 23 1.95 21 1.99
84 0.184 0.894 0.663- 286 1.11 251 1.11 22 1.87 23 1.88
85 0.178 0.757 0.948- 287 1.11 252 1.11 16 1.94 21 2.02
86 0.612 0.336 0.275- 288 1.11 253 1.11 27 1.91 33 1.91
87 0.672 0.289 0.684- 289 1.10 254 1.10 53 1.88 31 1.95
88 0.499 0.170 0.910- 290 1.10 255 1.11 24 1.86 29 1.86
89 0.592 0.668 0.325- 256 1.11 291 1.11 40 2.06 35 2.16
90 0.340 0.424 0.432- 257 1.11 292 1.11 10 1.94 36 1.94
91 0.380 0.394 0.912- 293 1.11 258 1.11 14 1.97 32 1.99
92 0.402 0.715 0.575- 259 1.11 294 1.11 43 1.95 37 1.96
93 0.515 0.751 0.907- 260 1.11 295 1.11 44 1.85 39 2.07
94 0.924 0.084 0.328- 296 1.11 261 1.11 50 1.88 48 1.92
95 0.892 0.148 0.160- 262 1.10 297 1.11 49 1.89 50 1.97
96 0.856 0.135 0.491- 263 1.10 298 1.11 48 1.87 51 1.92
97 0.680 0.118 0.433- 299 1.11 264 1.11 25 1.94 51 1.99
98 0.741 0.007 0.578- 265 1.11 300 1.11 68 1.93 51 1.93
99 0.898 0.369 0.798- 266 1.11 301 1.11 59 1.97 54 1.99
100 0.792 0.022 0.907- 267 1.10 302 1.11 47 1.88 52 1.89
101 0.686 0.408 0.449- 233 1.10 234 1.11 372 1.11 202 1.42
102 0.857 0.548 0.762- 303 1.11 268 1.11 61 1.89 59 1.91
103 0.688 0.696 0.015- 269 1.11 304 1.11 57 1.91 62 1.93
104 0.910 0.832 0.318- 270 1.10 305 1.10 63 1.85 65 1.89
105 0.738 0.854 0.075- 306 1.11 271 1.11 64 1.91 62 1.93
106 0.957 0.839 0.807- 307 1.11 272 1.11 69 1.92 67 1.97
107 0.397 0.243 0.359- 310 1.09 309 1.10 308 1.10 4 1.84
108 0.203 0.123 0.857- 312 1.10 313 1.10 311 1.10 6 1.85
109 0.201 0.373 0.899- 314 1.10 315 1.10 316 1.10 14 1.87
110 0.276 0.571 0.917- 318 1.09 317 1.09 319 1.11 15 1.91
111 0.081 0.922 0.384- 320 1.09 321 1.09 322 1.10 20 1.86
112 0.414 0.398 0.225- 324 1.09 323 1.09 325 1.10 26 1.84
113 0.447 0.611 0.925- 326 1.09 327 1.10 328 1.10 39 1.92
114 0.433 0.924 0.090- 330 1.10 331 1.10 329 1.13 41 1.81
115 0.908 0.975 0.471- 332 1.09 334 1.10 333 1.10 48 1.87
116 0.763 0.277 0.108- 336 1.10 337 1.10 335 1.11 49 1.83
117 0.928 0.933 0.981- 339 1.09 338 1.10 340 1.10 52 1.86
118 0.779 0.152 0.745- 343 1.10 342 1.10 341 1.10 53 1.87
119 0.033 0.384 0.247- 346 1.10 344 1.10 345 1.10 56 1.86
120 0.886 0.548 0.285- 347 1.10 348 1.10 349 1.10 58 1.86
121 0.645 0.786 0.629- 350 1.09 352 1.09 351 1.10 60 1.89
122 0.889 0.759 0.158- 355 1.09 354 1.10 353 1.10 65 1.88
123 0.750 0.890 0.717- 358 1.08 356 1.10 357 1.10 68 1.87
124 0.258 0.697 0.394- 359 1.09 360 1.10 361 1.10 17 1.85
125 0.475 0.479 0.528- 362 1.10 363 1.10 364 1.10 36 1.85
126 0.773 0.993 0.182- 365 1.10 367 1.10 366 1.10 64 1.86
127 0.802 0.220 0.299- 368 1.10 369 1.10 370 1.10 50 1.87
128 0.666 0.403 0.896- 380 1.10 378 1.10 379 1.11 207 1.43
129 0.273 0.153 0.316- 2 1.65 4 1.68
130 0.337 0.249 0.201- 26 1.67 4 1.68
131 0.021 0.099 0.469- 5 1.64 48 1.67
132 0.107 0.030 0.585- 5 1.65 22 1.66
133 0.279 0.176 0.721- 6 1.64 8 1.65
134 0.089 0.183 0.583- 7 1.65 5 1.67
135 0.291 0.327 0.773- 8 1.65 14 1.69
136 0.175 0.280 0.674- 7 1.65 8 1.70
137 0.952 0.082 0.951- 1 1.68 52 1.69
138 0.981 0.365 0.006- 3 1.65 9 1.76
139 0.253 0.482 0.286- 12 1.68 10 1.69
140 0.329 0.565 0.174- 12 1.65 34 1.67
141 0.056 0.312 0.396- 13 1.66 56 1.66
142 0.109 0.332 0.544- 13 1.64 7 1.65
143 0.279 0.483 0.793- 14 1.68 15 1.73
144 0.006 0.429 0.478- 78 1.43 13 1.67
145 0.250 0.855 0.328- 19 1.65 17 1.70
146 0.097 0.860 0.056- 18 1.68 16 1.77
147 0.239 0.008 0.329- 19 1.64 2 1.69
148 0.328 0.936 0.224- 41 1.58 19 1.70
149 0.176 0.928 0.197- 19 1.68 18 1.78
150 0.181 0.822 0.464- 17 1.69 20 1.70
151 0.014 0.786 0.449- 63 1.67 20 1.68
152 0.066 0.885 0.552- 20 1.65 22 1.67
153 0.267 0.019 0.745- 6 1.64 23 1.66
154 0.346 0.917 0.660- 45 1.64 23 1.68
155 0.993 0.767 0.953- 16 1.73 67 1.73
156 0.564 0.168 0.321- 25 1.68 27 1.70
157 0.490 0.250 0.195- 27 1.66 26 1.68
158 0.504 0.079 0.437- 25 1.66 28 1.68
159 0.347 0.072 0.433- 2 1.67 28 1.68
160 0.423 0.018 0.560- 28 1.65 45 1.65
161 0.594 0.167 0.772- 29 1.65 31 1.75
162 0.421 0.169 0.535- 28 1.63 30 1.68
163 0.535 0.314 0.785- 31 1.57
164 0.510 0.240 0.645- 30 1.64 31 1.75
165 0.366 0.105 0.828- 6 1.64 24 1.65
166 0.401 0.331 0.079- 26 1.67 32 1.70
167 0.574 0.507 0.273- 33 1.67 35 1.68
168 0.411 0.491 0.068- 32 1.67 34 1.69
169 0.637 0.603 0.157- 35 1.69 57 1.70
170 0.483 0.589 0.180- 35 1.65 34 1.70
171 0.506 0.407 0.384- 33 1.66 36 1.67
172 0.460 0.317 0.511- 36 1.67 30 1.69
173 0.591 0.586 0.806- 375 0.97 38 1.64
174 0.634 0.736 0.801- 38 1.64 44 1.69
175 0.661 0.639 0.680- 60 1.66 38 1.67
176 0.514 0.692 0.715- 38 1.65 37 1.66
177 0.516 0.404 0.003- 376 0.97 32 1.66
178 0.401 0.653 0.063- 34 1.61 39 1.93
179 0.600 0.852 0.325- 42 1.65 40 1.71
180 0.595 0.012 0.325- 42 1.64 25 1.71
181 0.624 0.935 0.186- 42 1.67 64 1.74
182 0.485 0.929 0.254- 41 1.58 42 1.70
183 0.515 0.780 0.442- 40 1.73 43 1.74
184 0.352 0.818 0.452- 17 1.70 43 1.73
185 0.571 0.880 0.807- 46 1.65 44 1.66
186 0.457 0.870 0.559- 43 1.65 45 1.66
187 0.546 0.031 0.825- 46 1.65 29 1.67
188 0.491 0.954 0.691- 45 1.65 46 1.65
189 0.339 0.738 0.912- 21 1.65 39 1.75
190 0.679 0.011 0.044- 47 1.68 64 1.68
191 0.772 0.133 0.029- 49 1.62 47 1.71
192 0.969 0.238 0.284- 56 1.65 50 1.66
193 0.737 0.177 0.585- 53 1.67 51 1.67
194 0.012 0.298 0.664- 7 1.69 54 1.71
195 0.847 0.276 0.662- 54 1.67 53 1.74
196 0.652 0.105 0.917- 47 1.65 29 1.73
197 0.833 0.434 0.057- 377 0.98 55 1.65
198 0.727 0.540 0.032- 55 1.64 57 1.67
199 0.959 0.681 0.351- 63 1.65 58 1.66
200 0.025 0.615 0.217- 58 1.67 11 1.69
201 0.911 0.358 0.363- 371 0.98 56 1.65
202 0.655 0.455 0.388- 101 1.42 33 1.65
203 0.892 0.693 0.842- 61 1.66 67 1.67
204 0.950 0.674 0.700- 374 0.97 61 1.67
205 0.797 0.702 0.708- 61 1.68 60 1.68
206 0.824 0.487 0.910- 55 1.65 59 1.69
207 0.712 0.398 0.965- 128 1.43 55 1.64
208 0.851 0.755 0.447- 66 1.67 63 1.69
209 0.685 0.778 0.437- 66 1.74 40 1.76
210 0.757 0.699 0.557- 66 1.66 60 1.68
211 0.789 0.852 0.550- 66 1.68 68 1.72
212 0.927 0.996 0.814- 69 1.69 52 1.69
213 0.029 0.947 0.697- 22 1.67 69 1.68
214 0.884 0.933 0.665- 69 1.68 68 1.70
215 0.829 0.788 0.942- 67 1.72 62 1.73
216 0.675 0.827 0.916- 62 1.66 44 1.68
217 0.987 0.280 0.126- 3 1.48
218 0.096 0.057 0.937- 1 1.48
219 0.229 0.626 0.262- 12 1.48
220 0.013 0.467 0.594- 78 1.10
221 0.103 0.445 0.994- 9 1.48
222 0.939 0.512 0.535- 78 1.10
223 0.408 0.047 0.959- 24 1.50
224 0.346 0.173 0.959- 24 1.50
225 0.625 0.200 0.195- 27 1.50
226 0.488 0.590 0.617- 37 1.48
227 0.411 0.779 0.024- 39 1.52
228 0.630 0.984 0.716- 46 1.47
229 0.897 0.241 0.027- 3 1.62
230 0.940 0.222 0.764- 54 1.49
231 0.035 0.557 0.351- 58 1.49
232 0.779 0.628 0.138- 57 1.48
233 0.709 0.447 0.494- 101 1.10
234 0.735 0.372 0.427- 101 1.11
235 0.768 0.834 0.240- 65 1.49
236 0.032 0.906 0.181- 18 1.49
237 0.806 0.709 0.286- 65 1.49
238 0.053 0.059 0.144- 70 1.11
239 0.109 0.213 0.029- 71 1.11
240 0.191 0.290 0.351- 72 1.10
241 0.164 0.175 0.426- 73 1.11
242 0.350 0.356 0.624- 74 1.11
243 0.947 0.571 0.052- 75 1.10
244 0.141 0.477 0.153- 76 1.11
245 0.131 0.484 0.389- 77 1.11
246 0.170 0.662 0.800- 79 1.11
247 0.339 0.560 0.681- 80 1.11
248 0.036 0.477 0.851- 81 1.11
249 0.050 0.734 0.134- 82 1.11
250 0.344 0.868 0.831- 83 1.11
251 0.159 0.843 0.694- 84 1.11
252 0.181 0.693 0.956- 85 1.11
253 0.628 0.356 0.216- 86 1.11
254 0.660 0.320 0.629- 87 1.10
255 0.494 0.228 0.880- 88 1.11
256 0.654 0.648 0.331- 89 1.11
257 0.343 0.489 0.438- 90 1.11
258 0.398 0.332 0.903- 91 1.11
259 0.375 0.668 0.540- 92 1.11
260 0.548 0.697 0.913- 93 1.11
261 0.981 0.064 0.304- 94 1.11
262 0.888 0.085 0.156- 95 1.10
263 0.851 0.195 0.468- 96 1.10
264 0.720 0.106 0.384- 97 1.11
265 0.698 0.975 0.542- 98 1.11
266 0.928 0.340 0.847- 99 1.11
267 0.780 0.053 0.852- 100 1.10
268 0.793 0.537 0.762- 102 1.11
269 0.676 0.662 0.961- 103 1.11
270 0.884 0.885 0.343- 104 1.10
271 0.724 0.810 0.120- 105 1.11
272 0.974 0.791 0.767- 106 1.11
273 0.139 0.061 0.088- 70 1.11
274 0.062 0.213 0.938- 71 1.11
275 0.206 0.328 0.258- 72 1.10
276 0.230 0.153 0.501- 73 1.11
277 0.305 0.288 0.563- 74 1.11
278 0.966 0.498 0.120- 75 1.11
279 0.191 0.537 0.088- 76 1.11
280 0.187 0.476 0.474- 77 1.10
281 0.238 0.695 0.730- 79 1.10
282 0.418 0.544 0.741- 80 1.11
283 0.994 0.560 0.895- 81 1.11
284 0.146 0.713 0.109- 82 1.11
285 0.253 0.903 0.860- 83 1.11
286 0.209 0.869 0.610- 84 1.11
287 0.216 0.779 0.995- 85 1.11
288 0.669 0.322 0.302- 86 1.11
289 0.688 0.335 0.726- 87 1.10
290 0.519 0.181 0.970- 88 1.10
291 0.561 0.633 0.369- 89 1.11
292 0.309 0.407 0.486- 90 1.11
293 0.426 0.426 0.880- 91 1.11
294 0.352 0.747 0.599- 92 1.11
295 0.483 0.741 0.851- 93 1.11
296 0.882 0.038 0.311- 94 1.11
297 0.951 0.162 0.138- 95 1.11
298 0.882 0.144 0.550- 96 1.11
299 0.676 0.182 0.434- 97 1.11
300 0.706 0.028 0.628- 98 1.11
301 0.837 0.348 0.803- 99 1.11
302 0.771 0.962 0.895- 100 1.11
303 0.877 0.526 0.705- 102 1.11
304 0.631 0.722 0.031- 103 1.11
305 0.961 0.849 0.283- 104 1.10
306 0.800 0.866 0.085- 105 1.11
307 0.013 0.857 0.833- 106 1.11
308 0.379 0.245 0.420- 107 1.10
309 0.430 0.189 0.351- 107 1.10
310 0.437 0.292 0.349- 107 1.09
311 0.209 0.182 0.881- 108 1.10
312 0.145 0.118 0.829- 108 1.10
313 0.206 0.082 0.905- 108 1.10
314 0.195 0.411 0.950- 109 1.10
315 0.147 0.376 0.865- 109 1.10
316 0.208 0.313 0.921- 109 1.10
317 0.301 0.520 0.944- 110 1.09
318 0.287 0.622 0.954- 110 1.09
319 0.212 0.562 0.915- 110 1.11
320 0.023 0.945 0.373- 111 1.09
321 0.121 0.971 0.394- 111 1.09
322 0.099 0.892 0.330- 111 1.10
323 0.364 0.433 0.207- 112 1.09
324 0.413 0.393 0.288- 112 1.09
325 0.466 0.432 0.209- 112 1.10
326 0.407 0.565 0.941- 113 1.09
327 0.454 0.613 0.862- 113 1.10
328 0.504 0.594 0.949- 113 1.10
329 0.422 0.863 0.070- 114 1.13
330 0.393 0.962 0.058- 114 1.10
331 0.493 0.940 0.077- 114 1.10
332 0.944 0.928 0.448- 115 1.09
333 0.915 0.973 0.535- 115 1.10
334 0.847 0.962 0.457- 115 1.10
335 0.714 0.257 0.145- 116 1.11
336 0.795 0.323 0.139- 116 1.10
337 0.738 0.302 0.055- 116 1.10
338 0.990 0.917 0.979- 117 1.10
339 0.892 0.880 0.983- 117 1.09
340 0.918 0.963 0.038- 117 1.10
341 0.833 0.119 0.733- 118 1.10
342 0.785 0.180 0.802- 118 1.10
343 0.729 0.112 0.748- 118 1.10
344 0.055 0.440 0.271- 119 1.10
345 0.081 0.355 0.218- 119 1.10
346 0.988 0.398 0.203- 119 1.10
347 0.850 0.578 0.241- 120 1.10
348 0.896 0.488 0.264- 120 1.10
349 0.852 0.544 0.339- 120 1.10
350 0.662 0.838 0.598- 121 1.09
351 0.606 0.753 0.589- 121 1.10
352 0.609 0.802 0.679- 121 1.09
353 0.916 0.812 0.132- 122 1.10
354 0.936 0.718 0.171- 122 1.10
355 0.851 0.732 0.114- 122 1.09
356 0.782 0.841 0.741- 123 1.10
357 0.760 0.940 0.756- 123 1.10
358 0.688 0.876 0.720- 123 1.08
359 0.203 0.679 0.368- 124 1.09
360 0.306 0.676 0.357- 124 1.10
361 0.263 0.668 0.451- 124 1.10
362 0.535 0.470 0.549- 125 1.10
363 0.472 0.536 0.500- 125 1.10
364 0.437 0.480 0.580- 125 1.10
365 0.779 0.959 0.236- 126 1.10
366 0.830 0.993 0.153- 126 1.10
367 0.757 0.053 0.197- 126 1.10
368 0.798 0.230 0.362- 127 1.10
369 0.798 0.277 0.270- 127 1.10
370 0.752 0.185 0.280- 127 1.10
371 0.923 0.390 0.409- 201 0.98
372 0.642 0.369 0.475- 101 1.11
373 0.039 0.538 0.522- 78 1.10
374 0.940 0.692 0.648- 204 0.97
375 0.590 0.535 0.782- 173 0.97
376 0.533 0.375 0.957- 177 0.97
377 0.877 0.404 0.037- 197 0.98
378 0.622 0.450 0.900- 128 1.10
379 0.702 0.413 0.844- 128 1.11
380 0.635 0.347 0.887- 128 1.10
LATTYP: Found a base centered orthorhombic cell.
ALAT = 24.1931281882
B/A-ratio = 1.0050125313
C/A-ratio = 0.7088789786
Lattice vectors:
A1 = ( -0.0428750000, 0.0000000000, 17.1500000000)
A2 = ( 17.1500000000, 0.0000000000, -0.0428750000)
A3 = ( 0.0000000000, 17.1500000000, 0.0000000000)
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
base centered orthorhombic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 8 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
base centered orthorhombic supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 8 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 : 5044.1693
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
position of ions in fractional coordinates (direct lattice)
0.039801470 0.086411720 0.995267530
0.263085910 0.085940970 0.384296470
0.984021480 0.275563110 0.039917460
0.311105700 0.240357650 0.294644050
0.099203260 0.105765740 0.525168280
0.281077350 0.104674760 0.784621700
0.095556300 0.272235800 0.618826770
0.269804260 0.269150480 0.699242920
0.017734770 0.459943440 0.991396880
0.253369740 0.415885500 0.358608840
0.067919990 0.596589120 0.130047290
0.245394410 0.553300480 0.219122760
0.086218540 0.375876250 0.462869980
0.288839670 0.398568920 0.841272910
0.296100850 0.581703590 0.808100870
0.080706400 0.772650410 0.003010690
0.261939330 0.803198170 0.411336480
0.098355930 0.926164260 0.128008300
0.241079980 0.931862570 0.271206080
0.086065670 0.850904500 0.465202210
0.258491780 0.759289130 0.862320300
0.093929570 0.943671740 0.625343740
0.271018320 0.924911250 0.721602760
0.402564130 0.122691520 0.915415190
0.582118490 0.093062250 0.381344890
0.411757120 0.305137030 0.171583090
0.568432590 0.236658920 0.249359230
0.423952210 0.084801150 0.491688890
0.575902940 0.119007800 0.852687270
0.438588510 0.252902600 0.582806000
0.571680550 0.255151810 0.725302770
0.421401360 0.408233440 0.019111060
0.582414650 0.428352460 0.329952680
0.407583750 0.576544720 0.117604920
0.568154320 0.593003100 0.226741570
0.446140860 0.399754550 0.460668380
0.445466170 0.651490130 0.660095490
0.598847750 0.662994110 0.750242830
0.419203020 0.710655570 0.968401670
0.597454140 0.772276400 0.384127500
0.414992860 0.931085020 0.194222030
0.582517260 0.931911440 0.273963400
0.435701260 0.795392430 0.502559030
0.596622650 0.803917130 0.861518000
0.429129990 0.941034850 0.618370670
0.558956010 0.962418370 0.759140790
0.719467940 0.067262850 0.974861830
0.931187430 0.076529000 0.439073900
0.820522610 0.189786950 0.086712430
0.897160300 0.174362830 0.271359190
0.753093030 0.104915550 0.522725950
0.901299910 0.008825940 0.908399090
0.759560420 0.225574930 0.666828990
0.927137000 0.292515450 0.715410720
0.773579000 0.467730420 0.989243450
0.991163240 0.321778850 0.325312840
0.707681300 0.615460560 0.089645660
0.979439760 0.600691860 0.301069210
0.891851380 0.476414190 0.839266960
0.720744320 0.707849120 0.647119920
0.870592910 0.657014060 0.754368060
0.736519340 0.791395550 0.981353330
0.935140430 0.762265830 0.396458720
0.697018350 0.948172400 0.117673160
0.837342240 0.782268070 0.251288880
0.768410090 0.772867680 0.495091560
0.913486730 0.774371520 0.890665480
0.795285310 0.919633390 0.622889660
0.943872390 0.930150530 0.742797500
0.079907250 0.033274440 0.090668300
0.052968440 0.199330280 0.000871430
0.235424120 0.316685600 0.313555300
0.188161520 0.125180670 0.459055590
0.339429790 0.292825850 0.617153090
0.994135470 0.531698960 0.073156870
0.162326940 0.537147190 0.145449820
0.165050930 0.441350850 0.423837940
0.999582510 0.489375050 0.535493590
0.232736590 0.673899930 0.790558700
0.376003070 0.590172990 0.725649610
0.988620690 0.496053850 0.890785200
0.084787680 0.701515940 0.090769630
0.281396100 0.863379430 0.816396640
0.183515730 0.894007030 0.663004400
0.177938720 0.757000600 0.947515410
0.611856480 0.335908610 0.275103240
0.672103720 0.289143700 0.684067490
0.499436260 0.170408830 0.909673410
0.592469130 0.668142290 0.324720930
0.339606770 0.424385100 0.431524990
0.379624470 0.393711980 0.911765580
0.402358940 0.714990620 0.575316420
0.514620340 0.751110410 0.906839580
0.924388060 0.083928130 0.327501420
0.892033210 0.148421860 0.159576920
0.855822980 0.135355750 0.491375040
0.679902700 0.117647720 0.432894620
0.741287570 0.007497000 0.578083980
0.898355890 0.369377480 0.797583780
0.791988430 0.021588320 0.906652080
0.686353150 0.407621840 0.448703310
0.856507480 0.548026060 0.761501710
0.687812390 0.695966240 0.015302210
0.909578620 0.832053280 0.318048980
0.737618450 0.854113360 0.074848100
0.956727780 0.838767250 0.806550240
0.397216660 0.242866650 0.358692480
0.203007120 0.123389780 0.856564000
0.200729600 0.372918800 0.899297620
0.275545150 0.571492700 0.916871020
0.081114810 0.922195110 0.383802530
0.414025050 0.398056690 0.225013910
0.446587680 0.611101180 0.925341780
0.432750000 0.924239310 0.090289930
0.908153310 0.975112850 0.470867330
0.762716870 0.276994340 0.108360210
0.927951920 0.933098660 0.981429450
0.778747890 0.151896360 0.744650760
0.032833260 0.384302790 0.247185450
0.886313620 0.547668810 0.284558070
0.644726770 0.785502200 0.628621490
0.888733720 0.759185000 0.157725710
0.749643360 0.890220220 0.717420660
0.258054230 0.697036430 0.393789950
0.475136080 0.478724310 0.528495900
0.773089700 0.992783220 0.181545410
0.802428260 0.220181690 0.298610880
0.665647400 0.402550650 0.895572340
0.272534520 0.153034190 0.315724690
0.337482880 0.249276210 0.201005870
0.021261910 0.099100070 0.469368160
0.106527100 0.030383880 0.584783440
0.278912660 0.175837190 0.720510670
0.089411380 0.183420620 0.582650210
0.290837610 0.327482690 0.773128740
0.174535840 0.280472090 0.673624370
0.952285780 0.081539150 0.951494500
0.981083970 0.365471620 0.005726620
0.252517880 0.482403570 0.285986980
0.328840590 0.565291830 0.173522430
0.056274020 0.312445380 0.396345860
0.109396120 0.331942440 0.544377820
0.279317450 0.483243690 0.792558960
0.005687870 0.428789560 0.478308010
0.250463610 0.854641170 0.327647760
0.096851110 0.860265450 0.055619300
0.238685230 0.007929390 0.329325110
0.328335760 0.936397770 0.224371580
0.175998060 0.927649120 0.197465330
0.180762620 0.821949160 0.463931310
0.014470560 0.785672640 0.448737100
0.066070110 0.885499920 0.552413760
0.267443730 0.018740680 0.744657410
0.346340720 0.916681280 0.659720620
0.992915250 0.767401380 0.953154940
0.564098660 0.168311130 0.320735550
0.489803340 0.250413840 0.194709630
0.504309040 0.078574920 0.436901090
0.346603860 0.072109030 0.433012380
0.422958130 0.017635830 0.560301710
0.594023900 0.167332920 0.771785060
0.421308850 0.169252640 0.535294790
0.535415440 0.314385710 0.785126210
0.510242350 0.239798750 0.645011180
0.366432070 0.104614260 0.827894520
0.401217030 0.331415650 0.078564320
0.574490010 0.506850010 0.272878260
0.410563730 0.491318740 0.068303840
0.636957410 0.602983360 0.157197240
0.483481470 0.589100400 0.180495100
0.505527900 0.406979940 0.383934720
0.459501090 0.317335410 0.511146250
0.591273270 0.585898330 0.806437910
0.633920020 0.736081830 0.800598420
0.661444810 0.638785630 0.680014800
0.514283660 0.692249320 0.714933890
0.516443980 0.403998170 0.003322760
0.401236870 0.652961170 0.063319570
0.599602450 0.852108900 0.324856840
0.594902650 0.011975950 0.325082110
0.623846640 0.934635810 0.185845430
0.484987100 0.928858490 0.254499940
0.515468960 0.779698350 0.442436130
0.351553730 0.817713360 0.451575810
0.571310590 0.880183350 0.807115570
0.456903690 0.870253580 0.558939440
0.545629080 0.030792720 0.825171920
0.491096970 0.954497930 0.690672950
0.338656720 0.737759620 0.911635140
0.679385550 0.011052390 0.044280420
0.771895710 0.133336990 0.028596540
0.968980520 0.237966650 0.284108340
0.737207970 0.177432170 0.585334180
0.012411380 0.298110990 0.664283350
0.847198880 0.275975610 0.661537530
0.652152280 0.105235030 0.917263760
0.833085320 0.434475330 0.057021460
0.726934690 0.539703900 0.031771120
0.958951350 0.680730770 0.351437740
0.024822330 0.615314720 0.216679470
0.910509420 0.357711820 0.363445490
0.654976830 0.454583690 0.387650790
0.891707800 0.693035220 0.842049430
0.949538200 0.673632240 0.700444530
0.797187040 0.702332970 0.708180350
0.824259930 0.487292760 0.909795900
0.712227340 0.398373990 0.965137980
0.850935010 0.754534570 0.446775910
0.685055000 0.777723320 0.437362500
0.756627420 0.699018230 0.556812250
0.789079030 0.851655940 0.549742040
0.926656900 0.996255230 0.813947680
0.028664170 0.946998960 0.697405450
0.884388390 0.933360190 0.664876530
0.828982170 0.788143630 0.941945700
0.674698600 0.827229100 0.915954220
0.987120380 0.280233440 0.126170940
0.095682210 0.056649430 0.936862170
0.229478120 0.626440460 0.261808070
0.012561640 0.466975260 0.594304020
0.102655150 0.445370800 0.993984100
0.939426610 0.511501490 0.534575510
0.407936600 0.047166830 0.959263760
0.346131680 0.172985950 0.959414700
0.625381110 0.199700870 0.194687480
0.487875770 0.589633700 0.617249280
0.411376170 0.779205110 0.024230200
0.629773240 0.983675970 0.715714150
0.897146130 0.240844620 0.027229800
0.940353520 0.221830520 0.764440400
0.035425140 0.556585420 0.350909540
0.778612040 0.627601860 0.137908950
0.709176220 0.446614870 0.494258140
0.734941330 0.371531690 0.426757790
0.768111180 0.833742570 0.240215040
0.032382900 0.905965590 0.180665060
0.805562800 0.709357060 0.286409600
0.053479990 0.059397670 0.143521010
0.109367920 0.212522540 0.029379440
0.190628510 0.289619350 0.350889570
0.163958940 0.175289240 0.426047190
0.350325150 0.356031170 0.624155300
0.947118930 0.570566210 0.052430040
0.141368580 0.476589290 0.152767230
0.131074160 0.483974220 0.389222890
0.170105690 0.662093890 0.800150040
0.339253150 0.560449000 0.681034290
0.035620670 0.477119080 0.850909370
0.050234560 0.734215980 0.134263650
0.344127230 0.867661030 0.831286570
0.158665630 0.843236550 0.694165920
0.181481020 0.692956380 0.956475340
0.627559020 0.355858400 0.215597460
0.660170010 0.320339950 0.628948990
0.493658030 0.227877080 0.880270380
0.653687250 0.648382520 0.331119310
0.342618250 0.488802930 0.438065680
0.398245020 0.332246650 0.903373450
0.375390480 0.668198960 0.539726650
0.548396380 0.696550980 0.913398410
0.980951820 0.063697710 0.304057880
0.887611110 0.084633160 0.155646740
0.850509060 0.195199080 0.468451740
0.720199930 0.106049830 0.383662720
0.698058070 0.975315350 0.542437840
0.928458990 0.340123640 0.846889610
0.779582010 0.052751210 0.851738190
0.792868240 0.537157050 0.761637160
0.675968660 0.662425960 0.961483190
0.884022330 0.885360810 0.342548230
0.723730560 0.809991300 0.119666750
0.973959160 0.790858020 0.766877430
0.138622230 0.060776580 0.088279610
0.061804270 0.212775910 0.938361470
0.205917070 0.328003220 0.257503660
0.229511600 0.152559410 0.500592530
0.305200810 0.288272770 0.562568870
0.966342630 0.497687210 0.120320240
0.191076480 0.537239980 0.087581840
0.187433840 0.475532640 0.473692530
0.238318430 0.694844840 0.730023760
0.418350480 0.543703720 0.740825360
0.994067840 0.560225730 0.895295160
0.145759190 0.712808210 0.109337100
0.253127780 0.902517600 0.859513260
0.209371490 0.868597670 0.609697050
0.215634690 0.779456020 0.995173470
0.668855660 0.321551210 0.301872310
0.687866850 0.335101600 0.726387530
0.519184970 0.180940760 0.969958900
0.561094210 0.632999130 0.368869210
0.308779090 0.406647670 0.485646590
0.425509180 0.425979890 0.879675810
0.351851850 0.747439480 0.599404010
0.483496230 0.740588760 0.850851550
0.882006260 0.038082990 0.311180750
0.951329970 0.161964890 0.138460950
0.882080310 0.143892760 0.549844180
0.676234590 0.182239660 0.433528220
0.706312610 0.028199480 0.628369600
0.837256800 0.348433870 0.803016630
0.770802070 0.961541100 0.895498470
0.876967960 0.525844150 0.704546470
0.630609890 0.721786620 0.031027480
0.960860870 0.848766780 0.283320950
0.800222420 0.865642680 0.085259300
0.012691830 0.857026280 0.833251840
0.378607060 0.244615320 0.419768490
0.430479780 0.188905630 0.350773940
0.437109410 0.291652010 0.348981870
0.208868240 0.182436780 0.880857010
0.145229030 0.118168160 0.829326390
0.206204740 0.081612390 0.904928210
0.195182020 0.410716710 0.950473430
0.146729240 0.375850500 0.864821700
0.207957150 0.312708350 0.920510010
0.301172440 0.519530830 0.943795940
0.287045480 0.621557580 0.954354550
0.211694720 0.561897200 0.914635670
0.022861250 0.945436680 0.372899200
0.120841660 0.971246780 0.393540880
0.099308570 0.891726890 0.330318150
0.363580850 0.432734830 0.207117210
0.413177650 0.392759090 0.288445170
0.465901170 0.431861940 0.208728750
0.406589420 0.564641820 0.941499560
0.453550170 0.612555480 0.861781380
0.503767120 0.594286690 0.949268770
0.422229790 0.862568790 0.070451320
0.392555680 0.962037480 0.057663910
0.493430550 0.939681790 0.077047480
0.943920960 0.927943100 0.447882530
0.914524460 0.973281320 0.534681870
0.846917090 0.961866920 0.457176570
0.714041060 0.257063080 0.145413710
0.795292040 0.322712920 0.138959570
0.737749160 0.301877120 0.054708850
0.989805450 0.917183890 0.979287870
0.892497340 0.880408640 0.982914900
0.918456820 0.962634590 0.037814030
0.832645700 0.119040730 0.733325660
0.784511360 0.180372180 0.801886380
0.729070330 0.111651620 0.747840240
0.054919160 0.439568350 0.270909010
0.081371880 0.354598900 0.217667830
0.988210930 0.397980880 0.203291170
0.850107180 0.577598140 0.240889150
0.896069240 0.487664160 0.264408040
0.852461570 0.544363910 0.338966010
0.662354120 0.838241420 0.597861450
0.606140970 0.753035790 0.588660270
0.609097850 0.802160640 0.678662650
0.915515500 0.811528270 0.132089410
0.935788150 0.717814210 0.171088140
0.851283170 0.731847320 0.113760240
0.782397350 0.840606970 0.741385160
0.759868980 0.940388460 0.756195540
0.688074680 0.876354820 0.720064410
0.202522790 0.679279020 0.367512390
0.305859140 0.676213780 0.356692340
0.262725590 0.668027360 0.450908840
0.535201120 0.470229840 0.549345010
0.472125160 0.536270980 0.500453450
0.437178720 0.479704990 0.580113760
0.778850240 0.958959620 0.235609300
0.830169120 0.992795270 0.152559910
0.757109920 0.052864620 0.197240420
0.798003230 0.230378400 0.361540240
0.798071510 0.277422040 0.270129590
0.752268050 0.184776230 0.280020080
0.922576220 0.389807940 0.409461380
0.642152000 0.369158050 0.475380540
0.039402510 0.538062880 0.522092930
0.940167900 0.691777250 0.647619240
0.590325920 0.534853330 0.781902290
0.532670840 0.375388000 0.957106530
0.876654400 0.403616330 0.037198030
0.622382760 0.449734110 0.900141700
0.702499940 0.413263490 0.843944480
0.635201790 0.346916520 0.886533850
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
369 369
370 370
371 371
372 372
373 373
374 374
375 375
376 376
377 377
378 378
379 379
380 380
----------------------------------------------------------------------------------------
KPOINTS: Automatic mesh
Automatic generation of k-mesh.
Grid dimensions read from file:
generate k-points for: 1 1 1
Generating k-lattice:
Cartesian coordinates Fractional coordinates (reciprocal lattice)
0.058309402 0.000000000 0.000145774 1.000000000 0.000000000 0.000000000
0.000000000 0.058309038 0.000000000 0.000000000 1.000000000 0.000000000
0.000145774 0.000000000 0.058309402 0.000000000 0.000000000 1.000000000
Length of vectors
0.058309585 0.058309038 0.058309585
Shift w.r.t. Gamma in fractional coordinates (k-lattice)
0.000000000 0.000000000 0.000000000
Subroutine IBZKPT returns following result:
===========================================
Found 1 irreducible k-points:
Following reciprocal coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
Following cartesian coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 1 k-points in BZ NKDIM = 1 number of bands NBANDS= 796
number of dos NEDOS = 301 number of ions NIONS = 380
non local maximal LDIM = 4 non local SUM 2l+1 LMDIM = 8
total plane-waves NPLWV = 592704
max r-space proj IRMAX = 1 max aug-charges IRDMAX= 4128
dimension x,y,z NGX = 84 NGY = 84 NGZ = 84
dimension x,y,z NGXF= 168 NGYF= 168 NGZF= 168
support grid NGXF= 168 NGYF= 168 NGZF= 168
ions per type = 69 59 88 164
NGX,Y,Z is equivalent to a cutoff of 8.14, 8.14, 8.14 a.u.
NGXF,Y,Z is equivalent to a cutoff of 16.29, 16.29, 16.29 a.u.
SYSTEM = MT from job 1251 (LKU-53)
POSCAR = MT from job 1251 (LKU-53)
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. 27.97 27.97 27.97*2*pi/ulx,y,z
ENINI = 400.0 initial cutoff
ENAUG = 644.9 eV augmentation charge cutoff
NELM = 60; NELMIN= 2; NELMDL= -5 # of ELM steps
EDIFF = 0.1E-04 stopping-criterion for ELM
LREAL = F 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 = 0.00000 0.00000 0.00000 0.00000
Ionic relaxation
EDIFFG = -.2E-01 stopping-criterion for IOM
NSW = 100 number of steps for IOM
NBLOCK = 1; KBLOCK = 100 inner block; outer block
IBRION = 2 ionic relax: 0-MD 1-quasi-New 2-CG
NFREE = 1 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= -0.672E-26a.u.
SCALEE = 1.0000 scale energy and forces
NPACO = 256; APACO = 10.0 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 = 1204.0000 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; METHOD = LEGACY
ISMEAR = 1; 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 = 0.31E-08 absolut break condition
DEPER = 0.30 relativ break condition
TIME = 0.40 timestep for ELM
volume/ion in A,a.u. = 13.27 89.58
Fermi-wavevector in a.u.,A,eV,Ry = 1.015517 1.919048 14.031339 1.031274
Thomas-Fermi vector in A = 2.148807
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
LIBXC = F Libxc
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= F 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
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
Optional k-point grid parameters
LKPOINTS_OPT = F use optional k-point grid
KPOINTS_OPT_MODE= 1 mode for optional k-point grid
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
LBONE = F B-component reconstruction in AE one-centre
LVGVCALC = T calculate vGv susceptibility
LVGVAPPL = F apply vGv susceptibility instead of pGv for G=0
Random number generation:
RANDOM_GENERATOR = DEFAULT
PCG_SEED = not used
--------------------------------------------------------------------------------------------------------
conjugate gradient relaxation of ions
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 194
reciprocal 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)
Methfessel and Paxton Order N= 1 SIGMA = 0.20
--------------------------------------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.00000000 0.00000000 0.00000000 1.000
k-points in reciprocal lattice and weights: Automatic mesh
0.00000000 0.00000000 0.00000000 1.000
position of ions in fractional coordinates (direct lattice)
0.03980147 0.08641172 0.99526753
0.26308591 0.08594097 0.38429647
0.98402148 0.27556311 0.03991746
0.31110570 0.24035765 0.29464405
0.09920326 0.10576574 0.52516828
0.28107735 0.10467476 0.78462170
0.09555630 0.27223580 0.61882677
0.26980426 0.26915048 0.69924292
0.01773477 0.45994344 0.99139688
0.25336974 0.41588550 0.35860884
0.06791999 0.59658912 0.13004729
0.24539441 0.55330048 0.21912276
0.08621854 0.37587625 0.46286998
0.28883967 0.39856892 0.84127291
0.29610085 0.58170359 0.80810087
0.08070640 0.77265041 0.00301069
0.26193933 0.80319817 0.41133648
0.09835593 0.92616426 0.12800830
0.24107998 0.93186257 0.27120608
0.08606567 0.85090450 0.46520221
0.25849178 0.75928913 0.86232030
0.09392957 0.94367174 0.62534374
0.27101832 0.92491125 0.72160276
0.40256413 0.12269152 0.91541519
0.58211849 0.09306225 0.38134489
0.41175712 0.30513703 0.17158309
0.56843259 0.23665892 0.24935923
0.42395221 0.08480115 0.49168889
0.57590294 0.11900780 0.85268727
0.43858851 0.25290260 0.58280600
0.57168055 0.25515181 0.72530277
0.42140136 0.40823344 0.01911106
0.58241465 0.42835246 0.32995268
0.40758375 0.57654472 0.11760492
0.56815432 0.59300310 0.22674157
0.44614086 0.39975455 0.46066838
0.44546617 0.65149013 0.66009549
0.59884775 0.66299411 0.75024283
0.41920302 0.71065557 0.96840167
0.59745414 0.77227640 0.38412750
0.41499286 0.93108502 0.19422203
0.58251726 0.93191144 0.27396340
0.43570126 0.79539243 0.50255903
0.59662265 0.80391713 0.86151800
0.42912999 0.94103485 0.61837067
0.55895601 0.96241837 0.75914079
0.71946794 0.06726285 0.97486183
0.93118743 0.07652900 0.43907390
0.82052261 0.18978695 0.08671243
0.89716030 0.17436283 0.27135919
0.75309303 0.10491555 0.52272595
0.90129991 0.00882594 0.90839909
0.75956042 0.22557493 0.66682899
0.92713700 0.29251545 0.71541072
0.77357900 0.46773042 0.98924345
0.99116324 0.32177885 0.32531284
0.70768130 0.61546056 0.08964566
0.97943976 0.60069186 0.30106921
0.89185138 0.47641419 0.83926696
0.72074432 0.70784912 0.64711992
0.87059291 0.65701406 0.75436806
0.73651934 0.79139555 0.98135333
0.93514043 0.76226583 0.39645872
0.69701835 0.94817240 0.11767316
0.83734224 0.78226807 0.25128888
0.76841009 0.77286768 0.49509156
0.91348673 0.77437152 0.89066548
0.79528531 0.91963339 0.62288966
0.94387239 0.93015053 0.74279750
0.07990725 0.03327444 0.09066830
0.05296844 0.19933028 0.00087143
0.23542412 0.31668560 0.31355530
0.18816152 0.12518067 0.45905559
0.33942979 0.29282585 0.61715309
0.99413547 0.53169896 0.07315687
0.16232694 0.53714719 0.14544982
0.16505093 0.44135085 0.42383794
0.99958251 0.48937505 0.53549359
0.23273659 0.67389993 0.79055870
0.37600307 0.59017299 0.72564961
0.98862069 0.49605385 0.89078520
0.08478768 0.70151594 0.09076963
0.28139610 0.86337943 0.81639664
0.18351573 0.89400703 0.66300440
0.17793872 0.75700060 0.94751541
0.61185648 0.33590861 0.27510324
0.67210372 0.28914370 0.68406749
0.49943626 0.17040883 0.90967341
0.59246913 0.66814229 0.32472093
0.33960677 0.42438510 0.43152499
0.37962447 0.39371198 0.91176558
0.40235894 0.71499062 0.57531642
0.51462034 0.75111041 0.90683958
0.92438806 0.08392813 0.32750142
0.89203321 0.14842186 0.15957692
0.85582298 0.13535575 0.49137504
0.67990270 0.11764772 0.43289462
0.74128757 0.00749700 0.57808398
0.89835589 0.36937748 0.79758378
0.79198843 0.02158832 0.90665208
0.68635315 0.40762184 0.44870331
0.85650748 0.54802606 0.76150171
0.68781239 0.69596624 0.01530221
0.90957862 0.83205328 0.31804898
0.73761845 0.85411336 0.07484810
0.95672778 0.83876725 0.80655024
0.39721666 0.24286665 0.35869248
0.20300712 0.12338978 0.85656400
0.20072960 0.37291880 0.89929762
0.27554515 0.57149270 0.91687102
0.08111481 0.92219511 0.38380253
0.41402505 0.39805669 0.22501391
0.44658768 0.61110118 0.92534178
0.43275000 0.92423931 0.09028993
0.90815331 0.97511285 0.47086733
0.76271687 0.27699434 0.10836021
0.92795192 0.93309866 0.98142945
0.77874789 0.15189636 0.74465076
0.03283326 0.38430279 0.24718545
0.88631362 0.54766881 0.28455807
0.64472677 0.78550220 0.62862149
0.88873372 0.75918500 0.15772571
0.74964336 0.89022022 0.71742066
0.25805423 0.69703643 0.39378995
0.47513608 0.47872431 0.52849590
0.77308970 0.99278322 0.18154541
0.80242826 0.22018169 0.29861088
0.66564740 0.40255065 0.89557234
0.27253452 0.15303419 0.31572469
0.33748288 0.24927621 0.20100587
0.02126191 0.09910007 0.46936816
0.10652710 0.03038388 0.58478344
0.27891266 0.17583719 0.72051067
0.08941138 0.18342062 0.58265021
0.29083761 0.32748269 0.77312874
0.17453584 0.28047209 0.67362437
0.95228578 0.08153915 0.95149450
0.98108397 0.36547162 0.00572662
0.25251788 0.48240357 0.28598698
0.32884059 0.56529183 0.17352243
0.05627402 0.31244538 0.39634586
0.10939612 0.33194244 0.54437782
0.27931745 0.48324369 0.79255896
0.00568787 0.42878956 0.47830801
0.25046361 0.85464117 0.32764776
0.09685111 0.86026545 0.05561930
0.23868523 0.00792939 0.32932511
0.32833576 0.93639777 0.22437158
0.17599806 0.92764912 0.19746533
0.18076262 0.82194916 0.46393131
0.01447056 0.78567264 0.44873710
0.06607011 0.88549992 0.55241376
0.26744373 0.01874068 0.74465741
0.34634072 0.91668128 0.65972062
0.99291525 0.76740138 0.95315494
0.56409866 0.16831113 0.32073555
0.48980334 0.25041384 0.19470963
0.50430904 0.07857492 0.43690109
0.34660386 0.07210903 0.43301238
0.42295813 0.01763583 0.56030171
0.59402390 0.16733292 0.77178506
0.42130885 0.16925264 0.53529479
0.53541544 0.31438571 0.78512621
0.51024235 0.23979875 0.64501118
0.36643207 0.10461426 0.82789452
0.40121703 0.33141565 0.07856432
0.57449001 0.50685001 0.27287826
0.41056373 0.49131874 0.06830384
0.63695741 0.60298336 0.15719724
0.48348147 0.58910040 0.18049510
0.50552790 0.40697994 0.38393472
0.45950109 0.31733541 0.51114625
0.59127327 0.58589833 0.80643791
0.63392002 0.73608183 0.80059842
0.66144481 0.63878563 0.68001480
0.51428366 0.69224932 0.71493389
0.51644398 0.40399817 0.00332276
0.40123687 0.65296117 0.06331957
0.59960245 0.85210890 0.32485684
0.59490265 0.01197595 0.32508211
0.62384664 0.93463581 0.18584543
0.48498710 0.92885849 0.25449994
0.51546896 0.77969835 0.44243613
0.35155373 0.81771336 0.45157581
0.57131059 0.88018335 0.80711557
0.45690369 0.87025358 0.55893944
0.54562908 0.03079272 0.82517192
0.49109697 0.95449793 0.69067295
0.33865672 0.73775962 0.91163514
0.67938555 0.01105239 0.04428042
0.77189571 0.13333699 0.02859654
0.96898052 0.23796665 0.28410834
0.73720797 0.17743217 0.58533418
0.01241138 0.29811099 0.66428335
0.84719888 0.27597561 0.66153753
0.65215228 0.10523503 0.91726376
0.83308532 0.43447533 0.05702146
0.72693469 0.53970390 0.03177112
0.95895135 0.68073077 0.35143774
0.02482233 0.61531472 0.21667947
0.91050942 0.35771182 0.36344549
0.65497683 0.45458369 0.38765079
0.89170780 0.69303522 0.84204943
0.94953820 0.67363224 0.70044453
0.79718704 0.70233297 0.70818035
0.82425993 0.48729276 0.90979590
0.71222734 0.39837399 0.96513798
0.85093501 0.75453457 0.44677591
0.68505500 0.77772332 0.43736250
0.75662742 0.69901823 0.55681225
0.78907903 0.85165594 0.54974204
0.92665690 0.99625523 0.81394768
0.02866417 0.94699896 0.69740545
0.88438839 0.93336019 0.66487653
0.82898217 0.78814363 0.94194570
0.67469860 0.82722910 0.91595422
0.98712038 0.28023344 0.12617094
0.09568221 0.05664943 0.93686217
0.22947812 0.62644046 0.26180807
0.01256164 0.46697526 0.59430402
0.10265515 0.44537080 0.99398410
0.93942661 0.51150149 0.53457551
0.40793660 0.04716683 0.95926376
0.34613168 0.17298595 0.95941470
0.62538111 0.19970087 0.19468748
0.48787577 0.58963370 0.61724928
0.41137617 0.77920511 0.02423020
0.62977324 0.98367597 0.71571415
0.89714613 0.24084462 0.02722980
0.94035352 0.22183052 0.76444040
0.03542514 0.55658542 0.35090954
0.77861204 0.62760186 0.13790895
0.70917622 0.44661487 0.49425814
0.73494133 0.37153169 0.42675779
0.76811118 0.83374257 0.24021504
0.03238290 0.90596559 0.18066506
0.80556280 0.70935706 0.28640960
0.05347999 0.05939767 0.14352101
0.10936792 0.21252254 0.02937944
0.19062851 0.28961935 0.35088957
0.16395894 0.17528924 0.42604719
0.35032515 0.35603117 0.62415530
0.94711893 0.57056621 0.05243004
0.14136858 0.47658929 0.15276723
0.13107416 0.48397422 0.38922289
0.17010569 0.66209389 0.80015004
0.33925315 0.56044900 0.68103429
0.03562067 0.47711908 0.85090937
0.05023456 0.73421598 0.13426365
0.34412723 0.86766103 0.83128657
0.15866563 0.84323655 0.69416592
0.18148102 0.69295638 0.95647534
0.62755902 0.35585840 0.21559746
0.66017001 0.32033995 0.62894899
0.49365803 0.22787708 0.88027038
0.65368725 0.64838252 0.33111931
0.34261825 0.48880293 0.43806568
0.39824502 0.33224665 0.90337345
0.37539048 0.66819896 0.53972665
0.54839638 0.69655098 0.91339841
0.98095182 0.06369771 0.30405788
0.88761111 0.08463316 0.15564674
0.85050906 0.19519908 0.46845174
0.72019993 0.10604983 0.38366272
0.69805807 0.97531535 0.54243784
0.92845899 0.34012364 0.84688961
0.77958201 0.05275121 0.85173819
0.79286824 0.53715705 0.76163716
0.67596866 0.66242596 0.96148319
0.88402233 0.88536081 0.34254823
0.72373056 0.80999130 0.11966675
0.97395916 0.79085802 0.76687743
0.13862223 0.06077658 0.08827961
0.06180427 0.21277591 0.93836147
0.20591707 0.32800322 0.25750366
0.22951160 0.15255941 0.50059253
0.30520081 0.28827277 0.56256887
0.96634263 0.49768721 0.12032024
0.19107648 0.53723998 0.08758184
0.18743384 0.47553264 0.47369253
0.23831843 0.69484484 0.73002376
0.41835048 0.54370372 0.74082536
0.99406784 0.56022573 0.89529516
0.14575919 0.71280821 0.10933710
0.25312778 0.90251760 0.85951326
0.20937149 0.86859767 0.60969705
0.21563469 0.77945602 0.99517347
0.66885566 0.32155121 0.30187231
0.68786685 0.33510160 0.72638753
0.51918497 0.18094076 0.96995890
0.56109421 0.63299913 0.36886921
0.30877909 0.40664767 0.48564659
0.42550918 0.42597989 0.87967581
0.35185185 0.74743948 0.59940401
0.48349623 0.74058876 0.85085155
0.88200626 0.03808299 0.31118075
0.95132997 0.16196489 0.13846095
0.88208031 0.14389276 0.54984418
0.67623459 0.18223966 0.43352822
0.70631261 0.02819948 0.62836960
0.83725680 0.34843387 0.80301663
0.77080207 0.96154110 0.89549847
0.87696796 0.52584415 0.70454647
0.63060989 0.72178662 0.03102748
0.96086087 0.84876678 0.28332095
0.80022242 0.86564268 0.08525930
0.01269183 0.85702628 0.83325184
0.37860706 0.24461532 0.41976849
0.43047978 0.18890563 0.35077394
0.43710941 0.29165201 0.34898187
0.20886824 0.18243678 0.88085701
0.14522903 0.11816816 0.82932639
0.20620474 0.08161239 0.90492821
0.19518202 0.41071671 0.95047343
0.14672924 0.37585050 0.86482170
0.20795715 0.31270835 0.92051001
0.30117244 0.51953083 0.94379594
0.28704548 0.62155758 0.95435455
0.21169472 0.56189720 0.91463567
0.02286125 0.94543668 0.37289920
0.12084166 0.97124678 0.39354088
0.09930857 0.89172689 0.33031815
0.36358085 0.43273483 0.20711721
0.41317765 0.39275909 0.28844517
0.46590117 0.43186194 0.20872875
0.40658942 0.56464182 0.94149956
0.45355017 0.61255548 0.86178138
0.50376712 0.59428669 0.94926877
0.42222979 0.86256879 0.07045132
0.39255568 0.96203748 0.05766391
0.49343055 0.93968179 0.07704748
0.94392096 0.92794310 0.44788253
0.91452446 0.97328132 0.53468187
0.84691709 0.96186692 0.45717657
0.71404106 0.25706308 0.14541371
0.79529204 0.32271292 0.13895957
0.73774916 0.30187712 0.05470885
0.98980545 0.91718389 0.97928787
0.89249734 0.88040864 0.98291490
0.91845682 0.96263459 0.03781403
0.83264570 0.11904073 0.73332566
0.78451136 0.18037218 0.80188638
0.72907033 0.11165162 0.74784024
0.05491916 0.43956835 0.27090901
0.08137188 0.35459890 0.21766783
0.98821093 0.39798088 0.20329117
0.85010718 0.57759814 0.24088915
0.89606924 0.48766416 0.26440804
0.85246157 0.54436391 0.33896601
0.66235412 0.83824142 0.59786145
0.60614097 0.75303579 0.58866027
0.60909785 0.80216064 0.67866265
0.91551550 0.81152827 0.13208941
0.93578815 0.71781421 0.17108814
0.85128317 0.73184732 0.11376024
0.78239735 0.84060697 0.74138516
0.75986898 0.94038846 0.75619554
0.68807468 0.87635482 0.72006441
0.20252279 0.67927902 0.36751239
0.30585914 0.67621378 0.35669234
0.26272559 0.66802736 0.45090884
0.53520112 0.47022984 0.54934501
0.47212516 0.53627098 0.50045345
0.43717872 0.47970499 0.58011376
0.77885024 0.95895962 0.23560930
0.83016912 0.99279527 0.15255991
0.75710992 0.05286462 0.19724042
0.79800323 0.23037840 0.36154024
0.79807151 0.27742204 0.27012959
0.75226805 0.18477623 0.28002008
0.92257622 0.38980794 0.40946138
0.64215200 0.36915805 0.47538054
0.03940251 0.53806288 0.52209293
0.94016790 0.69177725 0.64761924
0.59032592 0.53485333 0.78190229
0.53267084 0.37538800 0.95710653
0.87665440 0.40361633 0.03719803
0.62238276 0.44973411 0.90014170
0.70249994 0.41326349 0.84394448
0.63520179 0.34691652 0.88653385
position of ions in cartesian coordinates (Angst):
0.63992312 1.48196100 17.06713165
4.49544665 1.47388764 6.57940465
16.87425692 4.72590734 0.64239452
5.32282989 4.12213370 5.03980680
1.67881932 1.81388244 9.00238266
4.78683590 1.79517213 13.44421096
1.61225835 4.66884397 10.60878213
4.59716302 4.61593073 11.98044822
0.26164516 7.88803000 17.00169611
4.32991569 7.13243633 6.13927838
1.15925205 10.23150341 2.22739895
4.19911924 9.48910323 3.74743405
1.45880241 6.44627769 7.93452354
4.91753076 6.83545698 14.41544641
5.04348225 9.97621657 13.84623460
1.38398568 13.25095453 0.04817305
4.47462346 13.77484862 7.04318998
1.68131584 15.88371706 2.19112533
4.12289370 15.98144308 4.64084797
1.45608070 14.59301217 7.97452784
4.39616204 13.02180858 14.77771031
1.58408051 16.18397034 10.72061791
4.61702547 15.86222794 12.36386742
6.86472640 2.10415957 15.68211057
9.96698194 1.59601759 6.51510653
7.05427798 5.23310006 2.92499591
9.73792764 4.05870048 4.25213925
7.24969924 1.45433972 8.41428751
9.84017645 2.04098377 14.59889484
7.49680514 4.33727959 9.97631842
9.77322408 4.37585354 12.41443170
7.22621394 7.00120350 0.30968710
9.97426453 7.34624469 5.63371743
6.98501900 9.88774195 1.99944922
9.73412504 10.17000316 3.86425831
7.63156459 6.85579053 7.88133443
7.61144322 11.17305573 11.30153829
10.23807225 11.37034899 12.84098894
7.14781157 12.18774303 16.59011531
10.22986903 13.24454026 6.56217078
7.10880028 15.96810809 3.31311500
9.97842483 15.98228120 4.67349688
7.45072939 13.64098017 8.60020667
10.19514086 13.78717878 14.74945350
7.33306669 16.13874768 10.58665804
9.55354741 16.50547505 12.99529931
12.29707797 1.15355788 16.68803320
15.95103913 1.31247235 7.49019272
14.06824497 3.25484619 1.45193827
15.37466462 2.99032253 4.61534436
12.89313359 1.79930168 8.93246118
15.41834585 0.15136487 15.54040116
12.99787091 3.86861005 11.40355103
15.86972632 5.01663997 12.22954285
13.22446604 8.02157670 16.93235797
16.98450178 5.51850728 5.53661908
12.13289074 10.55514860 1.50708123
16.78448354 10.30186540 5.12134347
15.25926760 8.17050336 14.35519024
12.33301982 12.13961241 11.06720472
14.89832488 11.26779113 12.90008556
12.58923116 13.57243368 16.79863134
16.02066021 13.07285898 6.75917290
11.94881947 16.26115666 1.98821003
14.34964541 13.41589740 4.27370324
13.15700599 13.25468071 8.45787467
15.62811014 13.28047157 15.23574724
13.61243667 15.77171264 10.64845981
16.15556405 15.95208159 12.69850860
1.36652193 0.57065665 1.55153532
0.90837138 3.41851430 0.01267400
4.02407997 5.43115804 5.36737959
3.20728806 2.14684849 7.86473594
5.79476046 5.02196333 10.56962244
17.04628671 9.11863716 1.21201676
2.77767086 9.21207431 2.48750465
2.81245140 7.56916708 7.26174411
17.11988076 8.39278211 9.14085797
3.95753731 11.55738380 13.54810312
6.41734042 10.12146678 12.42876968
16.91665242 8.50732353 15.23457907
1.45021696 12.03099837 1.55306388
4.79094011 14.80695722 13.98913752
3.11886846 15.33222056 11.36265722
3.01102432 12.98256029 16.24226016
10.48154358 5.76083266 4.69178722
11.49724940 4.95881445 11.70294101
8.52632961 2.92251143 15.57948565
10.14692317 11.45864027 5.54356184
5.80575447 7.27820447 7.38609294
6.47146771 6.75216046 15.62050330
6.87578913 12.26208913 9.84942546
8.78685808 12.88154353 15.53023445
15.83921361 1.43936743 5.57701621
15.29152769 2.54543490 2.69849825
14.65629640 2.32135111 8.39038853
11.64177095 2.01765840 7.39499190
12.68829647 0.12857355 9.88235755
15.37260711 6.33482378 13.64004482
13.54372887 0.37023969 15.51512667
11.75171837 6.99071456 7.66583438
14.65645390 9.39864693 13.02303157
11.79532641 11.93582102 0.23294295
15.58563698 14.26971375 5.41554182
12.64694731 14.64804412 1.25201952
16.37330059 14.38485834 13.79131691
6.79688678 4.16516305 6.13454537
3.44484693 2.11613473 14.68136867
3.40395525 6.39555742 15.41434790
4.68628848 9.80109981 15.71252399
1.37466346 15.81564614 6.57873559
7.09088214 6.82667223 3.84123723
7.61930468 10.48038524 15.85046408
7.41779132 15.85070417 1.52991814
15.55464083 16.72318538 8.03643764
13.07594838 4.75045293 1.82567612
15.87229664 16.00264202 16.79172913
13.32359941 2.60502257 12.73737172
0.55249233 6.59079285 4.23782274
15.18807816 9.39252009 4.84217020
11.03011196 13.47136273 10.75321589
15.23502081 13.02002275 2.66689147
12.82562421 15.26727677 12.27162336
4.40874630 11.95417477 6.74243357
8.12592451 8.21012192 9.04333323
13.25070460 17.02623222 3.08035756
13.74884172 3.77611598 5.08677248
11.37745525 6.90374365 15.33052600
4.66043032 2.62453636 5.40299352
5.77921327 4.27508700 3.43278109
0.34451760 1.69956620 8.04875234
1.80186718 0.52108354 10.02446865
4.75246022 3.01560781 12.34479961
1.50842404 3.14566363 9.98861759
4.95471712 5.61632813 13.24668823
2.96440801 4.81009634 11.54517472
16.29090580 1.39839642 16.27730142
16.82534456 6.26783828 0.05614756
4.31841995 8.27322123 4.89385000
5.63217634 9.69475488 2.96181063
0.94810611 5.35843827 6.79491875
1.85280326 5.69281285 9.33138925
4.75631330 8.28762928 13.58041043
0.07703951 7.35374095 8.20273850
4.28140301 14.65709607 5.60842046
1.65861186 14.75355247 0.94971850
4.07933188 0.13598904 5.63769201
5.62133835 16.05922176 3.83389520
3.00990040 15.90918241 3.37898449
3.08018788 14.09642809 7.94867177
0.22893050 13.47428578 7.69522084
1.10941765 15.18632363 9.47106323
4.55473278 0.32140266 12.75940793
5.91145783 15.72108395 11.29935927
16.98763002 13.16093367 16.30403598
9.66054048 2.88653588 5.47642895
8.39177911 4.29459736 3.31826984
8.63016790 1.34755988 7.47123144
5.92569079 1.23666986 7.41130168
7.22970899 0.30245448 9.59104000
10.15441960 2.86975958 13.21064500
7.20249601 2.90268278 9.16224203
9.14871251 5.39171493 13.44195856
8.72300145 4.11254856 11.04006510
6.24881402 1.79413456 14.18268024
6.87750362 5.68377840 1.33017591
9.84080402 8.69247767 4.65523090
7.03823944 8.42611639 1.15380794
10.91707975 10.34116462 2.66862312
8.28396848 10.10307186 3.07476170
8.65334228 6.97970597 6.56280594
7.85852830 5.44230228 8.74645708
10.10576056 10.04815636 13.80505932
10.83740269 12.62380338 13.70308358
11.31462286 10.95517355 11.63389437
8.78931198 11.87207584 12.23906630
8.85687179 6.92856862 0.03484280
6.87849749 11.19828407 1.06872759
10.26925378 14.61366763 5.54558685
10.18864255 0.20538754 5.54965174
10.69100175 16.02900414 3.16050170
8.30661708 15.92992310 4.34388015
8.82132321 13.37182670 7.56567890
6.00978516 14.02378412 7.72945228
9.76337154 15.09514445 13.81753708
7.81193376 14.92484890 9.56622165
9.32215948 0.52809515 14.12830458
8.39270043 16.36963950 11.82398531
5.76887639 12.65257748 15.62002274
11.64956366 0.18954849 0.73028055
13.23678535 2.28672938 0.45733563
16.60583477 4.08112805 4.83091299
12.61802048 3.04296172 10.00687340
0.18437402 5.11260348 11.39192731
14.50109737 4.73298171 11.30904499
11.14508392 1.80478076 15.70311245
14.28496844 7.45125191 0.94219951
12.46556775 9.25592188 0.51370738
16.43094776 11.67453271 5.98604220
0.41641283 10.55264745 3.71498865
15.59965383 6.13475771 6.19405206
11.21623211 7.79611028 6.62012892
15.25668590 11.88555402 14.40291575
16.25454857 11.55279292 11.97191224
13.64139450 12.04501044 12.11111361
14.09705030 8.35707083 15.56765954
12.17331859 6.83211393 16.52157961
14.57437990 12.94026788 7.62572302
11.72994133 13.33795494 7.47139514
12.95228693 11.98816264 9.51688969
13.50913517 14.60589937 9.39424422
15.85726783 17.08577719 13.91947230
0.46168926 16.24103216 11.95927449
15.13875431 16.00712726 11.36471434
14.17665829 13.51666325 16.11882614
11.53180945 14.18697906 15.67968717
16.92370494 4.80600350 2.12150883
1.60078194 0.97153772 16.06308384
3.92432474 10.74345389 4.48016953
0.18995134 8.00862571 10.19177536
1.71791875 7.63810922 17.04242598
16.08824644 8.77225055 9.12769208
6.95498426 0.80891113 16.43388320
5.89502341 2.96670904 16.43912171
10.71693881 3.42486992 3.31207707
8.34060489 10.11221796 10.56490748
7.05406245 13.36336764 0.39791018
10.76992482 16.87004289 12.24749614
15.38488865 4.13048523 0.42852593
16.09428749 3.80439342 13.06983520
0.59249590 9.54543995 6.01657976
13.34728364 10.76337190 2.33175550
12.14118086 7.65944502 8.44612117
12.58594657 6.37176848 7.28738549
13.16280752 14.29868508 4.08675517
0.54762072 15.53730987 3.09701736
13.80312221 12.16547358 4.87738613
0.91102837 1.01867004 2.45909237
1.87440018 3.64476156 0.49916825
3.25423456 4.96697185 6.00958293
2.79362905 3.00621047 7.29967957
5.98131566 6.10593457 10.68924320
16.24084171 9.78521050 0.85856746
2.41792125 8.17350632 2.61389682
2.23123391 8.30015787 6.66955276
2.88300615 11.35491021 13.71527990
5.78899218 9.61170035 11.66519259
0.57441175 8.18259222 14.59156846
0.85576615 12.59180406 2.30046779
5.86614058 14.88038666 14.24181022
2.69135319 14.46150683 11.89814274
3.07139061 11.88420192 16.39577108
10.75339345 6.10297156 3.67058985
11.29494948 5.49383014 10.75817039
8.42849362 3.90809192 15.07547143
11.19653960 11.11976022 5.65066933
5.85712092 8.38297025 7.49813665
6.79116996 5.69803005 15.47577991
6.41480595 11.45961216 9.24021718
9.36583596 11.94584931 15.64127024
16.81028723 1.09241573 5.17253433
15.21585718 1.45145869 2.63128526
14.56614551 3.34766422 7.99748177
12.33497926 1.81875458 6.54893708
11.94843888 16.72665825 9.27287972
15.88676129 5.83312043 14.48434913
13.33331320 0.90468325 14.57388538
13.56503512 9.21224341 13.02808307
11.55163893 11.36060521 16.46045455
15.14629620 15.18393789 5.83679969
12.40684839 13.89135080 2.02125481
16.67051972 13.56321504 13.11018943
2.37358626 1.04231835 1.50805188
1.01971098 3.64910686 16.09024935
3.52043728 5.62525522 4.40735907
3.91466104 2.61639388 8.57532158
5.21007375 4.94387801 9.63497064
16.56761737 8.53533565 2.02206018
3.27320656 9.21366566 1.49383615
3.19418079 8.15538478 8.11579066
4.05586131 11.91658901 12.50968958
7.14294784 9.32451880 12.68721815
17.00987768 9.60787127 15.31169134
2.49508228 12.22466080 1.86888184
4.30428980 15.47817684 14.72979956
3.56458029 14.89645004 10.44732760
3.65546687 13.36767074 17.05797967
11.45793179 5.51460325 5.14843293
11.76577261 5.74699244 12.42805385
8.86243525 3.10313403 16.61253508
9.60695043 10.85593508 6.30205004
5.27473930 6.97400754 8.31560012
7.25976634 7.30555511 15.06819644
6.00855978 12.81858708 10.26469312
8.25548008 12.70109723 14.57137418
15.11306548 0.65312328 5.29893384
16.30937247 2.77769786 2.33381702
15.10410275 2.46776083 9.39200849
11.57883570 3.12541017 7.40601541
12.08631991 0.48362108 10.74625549
14.32452478 5.97564087 13.73583782
13.18086100 16.49042986 15.32475062
15.00979308 9.01822717 12.04537196
10.81362931 12.37864053 0.50508388
16.46661653 14.55635028 4.81775738
13.72015901 14.84577196 1.42788746
0.18193921 14.69800070 14.28972489
6.47511350 4.19515274 7.18279683
7.36768879 3.23973155 5.99731625
7.48146378 5.00183197 5.96629800
3.54432357 3.12879078 15.09774250
2.45512050 2.02658394 14.21672089
3.49761249 1.39965249 15.51067777
3.30662009 7.04379158 16.29225090
2.47932724 6.44583607 14.82540114
3.52699826 5.36294820 15.77783051
5.12464210 8.90995373 16.17318760
4.88191203 10.65971250 16.35487346
3.59134944 9.63653698 15.67692533
0.37608238 16.21423906 6.39424110
2.05556140 16.65688228 6.74404501
1.68897958 15.29311616 5.66069842
6.22653143 7.42140233 3.53647162
7.07362961 6.73581839 4.92911967
7.98125582 7.40643227 3.55972255
6.93264176 9.68360721 16.12928493
7.74143654 10.50532648 14.76010470
8.59890621 10.19201673 16.25836039
7.23822030 14.79305475 1.19013704
6.72985757 16.49894278 0.97210523
8.45903052 16.11554270 1.30020845
16.16904150 15.91422417 7.64071478
15.66117000 16.69177464 9.13058383
14.50502665 16.49601768 7.80426661
12.23956957 4.40863182 2.46323062
13.63330059 5.53452658 2.34905848
12.65005245 5.17719261 0.90662578
16.93317650 15.72970371 16.75234906
15.26418690 15.09900818 16.81872471
15.74991319 16.50918322 0.60913178
14.24843242 2.04154852 12.54083538
13.41998895 3.09338289 13.71871549
12.47149251 1.91482528 12.79420123
0.93024837 7.53859720 4.64373486
1.38619523 6.08137113 3.72951447
16.93910134 6.82537209 3.44407402
14.56901001 9.90580810 4.09480058
15.35625097 8.36344034 4.49617892
14.60518276 9.33584106 5.77671778
11.33373985 14.37584035 10.22492543
10.37007883 12.91456380 10.06953534
10.41693047 13.75705498 11.61294938
15.69542749 13.91770983 2.22608065
16.04143137 12.31051370 2.89403968
14.59462890 12.55118154 1.91448935
13.38632766 14.41640954 12.68121021
12.99933112 16.12766209 12.93617413
11.76960800 15.02948516 12.31960343
3.45750875 11.64963519 6.29415432
5.23019107 11.59706633 6.10415992
4.48641115 11.45666922 7.72182225
9.15514604 8.06444176 9.39832017
8.07548955 9.19704731 8.56253430
7.47274267 8.22694058 9.93020695
13.34717987 16.44615748 4.00730629
14.23085940 17.02643888 2.58080896
12.97597844 0.90662823 3.35021212
13.67025436 3.95098956 6.16620073
13.67534459 4.75778799 4.59850515
12.88939120 3.16891234 4.77009088
15.80462652 6.68520617 6.98270721
10.99252486 6.33106056 8.12524399
0.65336831 9.22777839 8.95220437
16.09611281 11.86397984 11.06636027
10.09056547 9.17273461 13.38431405
9.09426896 6.43790420 16.39153873
15.03302809 6.92202006 0.60035966
10.63527076 7.71293999 15.41074549
12.01168985 7.08746885 14.44352815
10.85570056 5.94961832 15.17682125
--------------------------------------------------------------------------------------------------------
use serial FFT for orbitals x direction half grid
k-point 1 : 0.0000 0.0000 0.0000 plane waves: 45854
maximum and minimum number of plane-waves per node : 45854 45854
maximum number of plane-waves: 45854
maximum index in each direction:
IXMAX= 27 IYMAX= 27 IZMAX= 27
IXMIN= 0 IYMIN= -27 IZMIN= -27
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 112 to avoid them
WARNING: aliasing errors must be expected set NGY to 112 to avoid them
WARNING: aliasing errors must be expected set NGZ to 112 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 623776. kBytes
=======================================================================
base : 30000. kBytes
nonl-proj : 290543. kBytes
fftplans : 42629. kBytes
grid : 109960. kBytes
one-center: 583. kBytes
wavefun : 150061. kBytes
Broyden mixing: mesh for mixing (old mesh)
NGX = 55 NGY = 55 NGZ = 55
(NGX =168 NGY =168 NGZ =168)
gives a total of 166375 points
initial charge density was supplied:
charge density of overlapping atoms calculated
number of electron 1204.0000000 magnetization
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for augmentation-charges 985 (set IRDMAX)
--------------------------------------------------------------------------------------------------------
First call to EWALD: gamma= 0.103
Maximum number of real-space cells 3x 3x 3
Maximum number of reciprocal cells 3x 3x 3
--------------------------------------- Ionic step 1 -------------------------------------------
--------------------------------------- Iteration 1( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1680
total energy-change (2. order) : 0.8369999E+04 (-0.5470973E+05)
number of electron 1204.0000000 magnetization
augmentation part 1204.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -32379.85415456
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2974.28400583
PAW double counting = 43329.67737571 -42309.07484769
entropy T*S EENTRO = 0.02625935
eigenvalues EBANDS = -1616.70421971
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 8369.99942185 eV
energy without entropy = 8369.97316249 energy(sigma->0) = 8369.99066873
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1972
total energy-change (2. order) :-0.9881582E+04 (-0.9527977E+04)
number of electron 1204.0000000 magnetization
augmentation part 1204.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -32379.85415456
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2974.28400583
PAW double counting = 43329.67737571 -42309.07484769
entropy T*S EENTRO = 0.06375604
eigenvalues EBANDS = -11498.32332903
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -1511.58219079 eV
energy without entropy = -1511.64594683 energy(sigma->0) = -1511.60344280
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1904
total energy-change (2. order) :-0.1030956E+04 (-0.1024498E+04)
number of electron 1204.0000000 magnetization
augmentation part 1204.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -32379.85415456
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2974.28400583
PAW double counting = 43329.67737571 -42309.07484769
entropy T*S EENTRO = 0.01165201
eigenvalues EBANDS = -12529.22679653
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2542.53776232 eV
energy without entropy = -2542.54941433 energy(sigma->0) = -2542.54164632
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1952
total energy-change (2. order) :-0.2873693E+02 (-0.2862480E+02)
number of electron 1204.0000000 magnetization
augmentation part 1204.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -32379.85415456
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2974.28400583
PAW double counting = 43329.67737571 -42309.07484769
entropy T*S EENTRO = 0.01166599
eigenvalues EBANDS = -12557.96374033
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2571.27469214 eV
energy without entropy = -2571.28635813 energy(sigma->0) = -2571.27858080
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1936
total energy-change (2. order) :-0.8922708E+00 (-0.8911173E+00)
number of electron 1204.0000436 magnetization
augmentation part 70.5177548 magnetization
Broyden mixing:
rms(total) = 0.10821E+02 rms(broyden)= 0.10815E+02
rms(prec ) = 0.11944E+02
weight for this iteration 100.00
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -32379.85415456
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 2974.28400583
PAW double counting = 43329.67737571 -42309.07484769
entropy T*S EENTRO = 0.01166561
eigenvalues EBANDS = -12558.85601075
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2572.16696294 eV
energy without entropy = -2572.17862855 energy(sigma->0) = -2572.17085147
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 6) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1824
total energy-change (2. order) : 0.2748487E+03 (-0.9736233E+02)
number of electron 1204.0000378 magnetization
augmentation part 55.1329199 magnetization
Broyden mixing:
rms(total) = 0.50894E+01 rms(broyden)= 0.50867E+01
rms(prec ) = 0.53004E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1125
1.1125
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -34836.65464689
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3136.38790229
PAW double counting = 74010.34808318 -73024.76456221
entropy T*S EENTRO = 0.02478389
eigenvalues EBANDS = -9954.30478438
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2297.31822120 eV
energy without entropy = -2297.34300509 energy(sigma->0) = -2297.32648250
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 7) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 2064
total energy-change (2. order) : 0.1304834E+02 (-0.5422011E+01)
number of electron 1204.0000375 magnetization
augmentation part 53.8565716 magnetization
Broyden mixing:
rms(total) = 0.23551E+01 rms(broyden)= 0.23548E+01
rms(prec ) = 0.24888E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2550
1.2550 1.2550
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35311.58370932
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3171.65773968
PAW double counting = 104810.29649425 -103824.69777392
entropy T*S EENTRO = 0.02350917
eigenvalues EBANDS = -9501.61114716
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2284.26988439 eV
energy without entropy = -2284.29339357 energy(sigma->0) = -2284.27772078
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 8) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) : 0.3930615E+01 (-0.9292464E+00)
number of electron 1204.0000378 magnetization
augmentation part 54.3407613 magnetization
Broyden mixing:
rms(total) = 0.94760E+00 rms(broyden)= 0.94750E+00
rms(prec ) = 0.10264E+01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4676
2.2489 1.0769 1.0769
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35569.34243314
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3191.54111023
PAW double counting = 119994.38811069 -119008.87697152
entropy T*S EENTRO = 0.03636746
eigenvalues EBANDS = -9259.73045603
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2280.33926939 eV
energy without entropy = -2280.37563685 energy(sigma->0) = -2280.35139188
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 9) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1952
total energy-change (2. order) : 0.9098730E+00 (-0.2076541E+00)
number of electron 1204.0000375 magnetization
augmentation part 53.9817875 magnetization
Broyden mixing:
rms(total) = 0.20922E+00 rms(broyden)= 0.20910E+00
rms(prec ) = 0.25260E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4059
2.3085 1.3586 0.9782 0.9782
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35839.65252550
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3210.60960697
PAW double counting = 129930.30530961 -128946.10662659
entropy T*S EENTRO = 0.03661742
eigenvalues EBANDS = -9006.26678124
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.42939642 eV
energy without entropy = -2279.46601384 energy(sigma->0) = -2279.44160222
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 10) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) :-0.3367711E-01 (-0.3674957E-01)
number of electron 1204.0000376 magnetization
augmentation part 54.0337194 magnetization
Broyden mixing:
rms(total) = 0.14498E+00 rms(broyden)= 0.14493E+00
rms(prec ) = 0.17754E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3471
2.2570 1.5911 1.0011 1.0011 0.8852
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35873.44497135
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3212.21331108
PAW double counting = 130104.98060031 -129120.50198506
entropy T*S EENTRO = 0.03487619
eigenvalues EBANDS = -8974.38990761
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.46307353 eV
energy without entropy = -2279.49794972 energy(sigma->0) = -2279.47469893
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 11) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1896
total energy-change (2. order) :-0.4760568E-02 (-0.1388040E-01)
number of electron 1204.0000375 magnetization
augmentation part 54.0482056 magnetization
Broyden mixing:
rms(total) = 0.79612E-01 rms(broyden)= 0.79575E-01
rms(prec ) = 0.10655E+00
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3774
2.2007 2.2007 1.0501 1.0501 0.8814 0.8814
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35896.13662967
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3213.06775621
PAW double counting = 129699.71236972 -128715.10932843
entropy T*S EENTRO = 0.02675892
eigenvalues EBANDS = -8952.67376377
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.46783410 eV
energy without entropy = -2279.49459302 energy(sigma->0) = -2279.47675374
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 12) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) : 0.1168235E-01 (-0.3133262E-02)
number of electron 1204.0000375 magnetization
augmentation part 54.0446981 magnetization
Broyden mixing:
rms(total) = 0.35201E-01 rms(broyden)= 0.35185E-01
rms(prec ) = 0.57565E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4176
2.4852 2.4852 1.0933 1.0933 0.8752 0.9453 0.9453
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35920.56422234
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.08753447
PAW double counting = 129510.89459698 -128526.19691420
entropy T*S EENTRO = 0.02596256
eigenvalues EBANDS = -8929.34811213
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.45615175 eV
energy without entropy = -2279.48211431 energy(sigma->0) = -2279.46480594
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 13) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1984
total energy-change (2. order) : 0.1125447E-01 (-0.2410274E-02)
number of electron 1204.0000375 magnetization
augmentation part 54.0332499 magnetization
Broyden mixing:
rms(total) = 0.20636E-01 rms(broyden)= 0.20617E-01
rms(prec ) = 0.33798E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4245
2.8174 2.4477 1.0396 1.0396 1.1457 1.1457 0.9626 0.7980
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35935.90640058
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.65624632
PAW double counting = 129397.66034667 -128412.90780867
entropy T*S EENTRO = 0.02469772
eigenvalues EBANDS = -8914.61698164
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.44489728 eV
energy without entropy = -2279.46959499 energy(sigma->0) = -2279.45312985
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 14) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1968
total energy-change (2. order) : 0.4443283E-02 (-0.1716163E-02)
number of electron 1204.0000375 magnetization
augmentation part 54.0341517 magnetization
Broyden mixing:
rms(total) = 0.15809E-01 rms(broyden)= 0.15792E-01
rms(prec ) = 0.22193E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4192
2.8418 2.4198 1.4569 1.0803 1.0803 0.9975 0.9975 1.0460 0.8530
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35941.71348405
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.77794254
PAW double counting = 129354.15870597 -128369.35906138
entropy T*S EENTRO = 0.02400590
eigenvalues EBANDS = -8908.97356588
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.44045399 eV
energy without entropy = -2279.46445989 energy(sigma->0) = -2279.44845596
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 15) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1976
total energy-change (2. order) : 0.1492887E-02 (-0.5727898E-03)
number of electron 1204.0000375 magnetization
augmentation part 54.0300714 magnetization
Broyden mixing:
rms(total) = 0.10834E-01 rms(broyden)= 0.10828E-01
rms(prec ) = 0.15149E-01
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4684
3.0964 2.4262 2.2119 1.0651 1.0651 1.2214 1.0192 1.0192 0.7800 0.7800
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35944.20595053
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.82617583
PAW double counting = 129392.83782017 -128408.03145730
entropy T*S EENTRO = 0.02404499
eigenvalues EBANDS = -8906.53459718
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43896111 eV
energy without entropy = -2279.46300610 energy(sigma->0) = -2279.44697610
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 16) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1888
total energy-change (2. order) : 0.1249548E-02 (-0.8307046E-04)
number of electron 1204.0000375 magnetization
augmentation part 54.0305790 magnetization
Broyden mixing:
rms(total) = 0.48415E-02 rms(broyden)= 0.48379E-02
rms(prec ) = 0.75523E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5374
3.9087 2.5750 2.3643 1.0232 1.0232 1.1661 1.1661 0.9788 0.9788 0.8636
0.8636
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35945.87123572
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.81561709
PAW double counting = 129421.46555297 -128436.64333021
entropy T*S EENTRO = 0.02386470
eigenvalues EBANDS = -8904.87318331
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43771156 eV
energy without entropy = -2279.46157626 energy(sigma->0) = -2279.44566646
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 17) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1992
total energy-change (2. order) : 0.2975492E-03 (-0.9409186E-04)
number of electron 1204.0000375 magnetization
augmentation part 54.0306281 magnetization
Broyden mixing:
rms(total) = 0.34324E-02 rms(broyden)= 0.34289E-02
rms(prec ) = 0.44648E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5264
4.2528 2.5439 2.4056 1.3141 1.3141 0.9824 0.9824 1.0191 1.0191 0.8309
0.8309 0.8208
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35946.85769086
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.81343579
PAW double counting = 129429.50918730 -128444.68523078
entropy T*S EENTRO = 0.02374350
eigenvalues EBANDS = -8903.88586187
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43741401 eV
energy without entropy = -2279.46115751 energy(sigma->0) = -2279.44532851
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 18) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1936
total energy-change (2. order) : 0.2677494E-05 (-0.8081072E-04)
number of electron 1204.0000375 magnetization
augmentation part 54.0298192 magnetization
Broyden mixing:
rms(total) = 0.36660E-02 rms(broyden)= 0.36625E-02
rms(prec ) = 0.41223E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5124
4.4050 2.5994 2.4415 1.3698 1.0993 1.0993 1.1041 0.9739 0.9739 0.8776
0.8776 0.9200 0.9200
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35947.00241858
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.80450729
PAW double counting = 129429.69670306 -128444.87787578
entropy T*S EENTRO = 0.02371612
eigenvalues EBANDS = -8903.72704636
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43741133 eV
energy without entropy = -2279.46112745 energy(sigma->0) = -2279.44531671
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 19) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1864
total energy-change (2. order) : 0.2516991E-04 (-0.8893861E-05)
number of electron 1204.0000375 magnetization
augmentation part 54.0305834 magnetization
Broyden mixing:
rms(total) = 0.18921E-02 rms(broyden)= 0.18915E-02
rms(prec ) = 0.22400E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5692
4.9070 2.7899 2.4767 1.8381 0.9980 0.9980 1.2634 1.1048 1.1048 1.0067
1.0067 0.8460 0.8460 0.7821
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35946.95761724
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.79366097
PAW double counting = 129434.00472216 -128449.18513606
entropy T*S EENTRO = 0.02370217
eigenvalues EBANDS = -8903.76172107
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43738616 eV
energy without entropy = -2279.46108833 energy(sigma->0) = -2279.44528688
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 20) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1608
total energy-change (2. order) : 0.1512210E-04 (-0.3269328E-05)
number of electron 1204.0000375 magnetization
augmentation part 54.0304074 magnetization
Broyden mixing:
rms(total) = 0.80141E-03 rms(broyden)= 0.80038E-03
rms(prec ) = 0.10235E-02
weight for this iteration 100.00
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5994
5.3653 3.0148 2.5409 2.1448 1.2744 1.2744 0.8284 0.9537 0.9537 0.8899
0.8899 1.0174 1.0174 0.9130 0.9130
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35946.89230644
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.78350393
PAW double counting = 129436.20619818 -128451.39031799
entropy T*S EENTRO = 0.02369364
eigenvalues EBANDS = -8903.81314528
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43737104 eV
energy without entropy = -2279.46106468 energy(sigma->0) = -2279.44526892
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 1( 21) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1336
total energy-change (2. order) : 0.3244641E-05 (-0.7849103E-06)
number of electron 1204.0000375 magnetization
augmentation part 54.0304074 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 1009.63687996
Ewald energy TEWEN = -18515.69158341
-Hartree energ DENC = -35946.82804380
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 3214.77888203
PAW double counting = 129435.41987342 -128450.60436310
entropy T*S EENTRO = 0.02368752
eigenvalues EBANDS = -8903.87240677
atomic energy EATOM = 55877.69970636
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = -2279.43736779 eV
energy without entropy = -2279.46105531 energy(sigma->0) = -2279.44526363
--------------------------------------------------------------------------------------------------------
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 -89.4941 2 -89.9785 3 -90.2999 4 -88.6766 5 -89.6424
6 -88.9011 7 -90.0140 8 -89.2663 9 -89.2557 10 -88.8391
11 -89.0651 12 -88.8666 13 -89.4089 14 -88.7301 15 -88.5920
16 -89.8736 17 -89.9210 18 -90.1479 19 -91.0168 20 -89.6085
21 -88.6555 22 -89.4876 23 -89.0101 24 -88.1922 25 -90.1312
26 -89.0546 27 -89.2935 28 -90.0711 29 -89.1118 30 -89.1711
31 -87.6805 32 -89.1522 33 -89.3332 34 -89.1656 35 -90.0021
36 -88.8480 37 -88.5441 38 -89.2824 39 -87.9783 40 -90.6588
41 -91.3706 42 -90.9558 43 -90.1188 44 -88.9969 45 -89.8764
46 -89.1987 47 -90.1259 48 -88.5581 49 -90.4929 50 -89.1504
51 -88.8915 52 -89.3172 53 -88.5571 54 -89.3649 55 -89.4605
56 -89.2736 57 -89.2337 58 -88.9773 59 -89.0368 60 -89.3975
61 -89.4715 62 -89.4795 63 -89.7178 64 -89.7849 65 -88.0716
66 -90.4152 67 -90.2117 68 -89.3017 69 -89.8218 70 -54.0450
71 -54.2514 72 -52.8478 73 -53.4227 74 -52.8609 75 -53.3243
76 -53.0884 77 -53.0715 78 -54.7442 79 -52.7264 80 -52.9635
81 -53.3686 82 -53.2394 83 -52.9009 84 -52.8436 85 -53.0946
86 -53.1989 87 -52.2511 88 -52.4814 89 -53.6625 90 -53.0877
91 -52.8041 92 -53.3786 93 -51.8793 94 -53.3824 95 -54.2073
96 -52.8654 97 -53.4218 98 -53.1093 99 -53.3594 100 -53.2731
101 -54.3942 102 -53.1421 103 -53.0856 104 -53.1435 105 -53.3677
106 -53.3408 107 -52.5683 108 -52.8724 109 -52.7201 110 -52.5221
111 -53.1342 112 -52.4124 113 -51.5940 114 -54.5273 115 -52.8341
116 -53.7403 117 -53.1747 118 -52.6510 119 -53.3495 120 -52.8726
121 -52.7896 122 -53.1535 123 -52.6525 124 -53.1206 125 -52.6308
126 -53.6061 127 -53.3830 128 -54.0596 129 -75.3006 130 -75.0309
131 -75.3205 132 -75.4260 133 -75.0677 134 -75.3742 135 -74.9195
136 -75.2440 137 -75.7138 138 -76.5088 139 -75.1822 140 -74.9165
141 -75.5798 142 -75.5544 143 -74.6231 144 -75.6661 145 -75.9811
146 -75.6579 147 -75.9808 148 -77.2670 149 -76.1119 150 -75.5359
151 -75.5354 152 -75.3324 153 -75.1260 154 -75.1945 155 -75.5678
156 -75.5394 157 -75.2995 158 -75.6137 159 -75.5954 160 -75.4391
161 -74.3874 162 -75.1692 163 -71.5237 164 -74.4466 165 -75.0051
166 -74.9947 167 -75.3206 168 -74.8475 169 -75.3716 170 -75.0332
171 -75.2239 172 -74.8926 173 -75.2562 174 -74.9231 175 -75.1325
176 -75.1398 177 -74.6678 178 -73.5268 179 -76.0613 180 -76.0026
181 -76.0834 182 -77.2713 183 -75.6193 184 -75.5511 185 -75.1949
186 -75.4036 187 -75.0893 188 -75.4079 189 -74.1949 190 -75.8317
191 -76.5184 192 -75.7225 193 -74.8983 194 -75.4784 195 -75.0348
196 -75.4256 197 -75.4770 198 -75.4032 199 -75.4910 200 -75.3482
201 -75.2573 202 -75.1352 203 -75.4888 204 -75.3969 205 -75.4501
206 -75.3410 207 -75.1806 208 -75.6071 209 -75.6041 210 -75.3716
211 -75.4305 212 -75.5071 213 -75.3476 214 -75.3459 215 -75.5068
216 -75.1851 217 -36.7766 218 -35.8040 219 -35.1508 220 -36.9787
221 -35.7660 222 -37.0674 223 -35.1613 224 -35.0453 225 -35.4386
226 -34.9082 227 -33.9864 228 -35.2737 229 -37.6226 230 -35.2350
231 -35.4398 232 -35.4251 233 -36.6638 234 -36.6322 235 -35.6091
236 -35.9977 237 -35.4107 238 -37.6492 239 -37.9941 240 -36.9101
241 -37.1706 242 -36.7099 243 -37.0948 244 -37.0252 245 -37.0323
246 -36.5743 247 -36.8046 248 -37.2123 249 -37.0737 250 -36.5746
251 -36.8882 252 -36.9077 253 -37.0746 254 -36.1958 255 -36.1376
256 -36.8754 257 -37.0026 258 -36.4608 259 -37.1438 260 -36.0699
261 -37.3316 262 -38.0847 263 -36.8557 264 -37.2301 265 -36.9995
266 -37.1174 267 -37.1648 268 -37.0137 269 -36.8433 270 -37.2116
271 -37.2871 272 -36.9365 273 -37.7376 274 -37.9293 275 -36.9890
276 -37.1906 277 -36.8407 278 -37.2154 279 -36.9476 280 -37.0547
281 -36.4972 282 -36.6054 283 -37.2479 284 -37.0959 285 -36.7281
286 -36.8055 287 -36.8402 288 -37.1202 289 -36.1733 290 -36.6269
291 -36.8705 292 -36.9892 293 -36.3495 294 -37.0504 295 -36.1157
296 -37.4113 297 -38.2238 298 -36.9130 299 -37.1196 300 -36.9048
301 -37.1082 302 -37.2705 303 -37.0039 304 -36.9884 305 -37.1607
306 -37.4113 307 -37.1735 308 -36.5644 309 -36.5489 310 -36.6600
311 -36.7691 312 -36.7249 313 -36.7922 314 -36.5890 315 -36.6233
316 -36.6513 317 -36.3227 318 -36.1881 319 -36.4966 320 -37.0611
321 -36.9658 322 -37.1308 323 -36.3454 324 -36.4386 325 -36.4038
326 -35.5422 327 -35.5290 328 -35.5319 329 -37.6896 330 -38.0752
331 -38.0206 332 -36.8436 333 -36.7120 334 -36.8355 335 -37.5498
336 -37.4438 337 -37.1935 338 -37.1283 339 -37.1243 340 -37.2901
341 -36.4890 342 -36.5840 343 -36.4542 344 -37.1615 345 -37.1961
346 -37.2588 347 -36.6683 348 -36.6711 349 -36.6146 350 -36.6792
351 -36.6120 352 -36.5268 353 -36.9912 354 -36.9445 355 -36.9282
356 -36.5415 357 -36.6320 358 -36.4848 359 -36.8595 360 -36.8483
361 -37.0065 362 -36.4441 363 -36.5257 364 -36.4878 365 -37.4019
366 -37.5888 367 -37.5279 368 -37.1265 369 -37.1955 370 -37.3209
371 -39.1980 372 -36.6919 373 -36.9948 374 -39.7455 375 -39.5587
376 -38.9285 377 -39.7311 378 -36.3250 379 -36.4658 380 -36.1901
E-fermi : 0.8038 XC(G=0): -7.1998 alpha+bet : -6.6573
Fermi energy: 0.8038211691
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6516 2.00000
2 -21.2098 2.00000
3 -20.6522 2.00000
4 -20.5474 2.00000
5 -20.5095 2.00000
6 -20.4036 2.00000
7 -20.3319 2.00000
8 -20.2649 2.00000
9 -20.2453 2.00000
10 -20.2127 2.00000
11 -20.1882 2.00000
12 -20.1553 2.00000
13 -20.1391 2.00000
14 -20.1159 2.00000
15 -20.0964 2.00000
16 -20.0743 2.00000
17 -20.0142 2.00000
18 -19.9173 2.00000
19 -19.8729 2.00000
20 -19.8323 2.00000
21 -19.8045 2.00000
22 -19.7823 2.00000
23 -19.7427 2.00000
24 -19.7271 2.00000
25 -19.7012 2.00000
26 -19.6852 2.00000
27 -19.6802 2.00000
28 -19.6444 2.00000
29 -19.6314 2.00000
30 -19.6122 2.00000
31 -19.5820 2.00000
32 -19.5642 2.00000
33 -19.5223 2.00000
34 -19.4791 2.00000
35 -19.4721 2.00000
36 -19.4365 2.00000
37 -19.4264 2.00000
38 -19.4050 2.00000
39 -19.3509 2.00000
40 -19.3209 2.00000
41 -19.3025 2.00000
42 -19.2978 2.00000
43 -19.2850 2.00000
44 -19.2800 2.00000
45 -19.2313 2.00000
46 -19.2211 2.00000
47 -19.2021 2.00000
48 -19.1974 2.00000
49 -19.1812 2.00000
50 -19.1470 2.00000
51 -19.1258 2.00000
52 -19.1115 2.00000
53 -19.1061 2.00000
54 -19.0797 2.00000
55 -19.0628 2.00000
56 -19.0501 2.00000
57 -19.0313 2.00000
58 -19.0269 2.00000
59 -19.0001 2.00000
60 -18.9810 2.00000
61 -18.9624 2.00000
62 -18.9548 2.00000
63 -18.9456 2.00000
64 -18.9417 2.00000
65 -18.9126 2.00000
66 -18.8746 2.00000
67 -18.8672 2.00000
68 -18.8562 2.00000
69 -18.8341 2.00000
70 -18.7985 2.00000
71 -18.7940 2.00000
72 -18.7805 2.00000
73 -18.7661 2.00000
74 -18.7378 2.00000
75 -18.7122 2.00000
76 -18.6651 2.00000
77 -18.6406 2.00000
78 -18.6296 2.00000
79 -18.6213 2.00000
80 -18.5747 2.00000
81 -18.4897 2.00000
82 -18.3594 2.00000
83 -18.3371 2.00000
84 -18.3099 2.00000
85 -18.0838 2.00000
86 -17.9877 2.00000
87 -17.1804 2.00000
88 -15.1279 2.00000
89 -13.6233 2.00000
90 -13.5467 2.00000
91 -13.2293 2.00000
92 -13.0476 2.00000
93 -12.9497 2.00000
94 -12.8536 2.00000
95 -12.7729 2.00000
96 -12.7388 2.00000
97 -12.7302 2.00000
98 -12.6741 2.00000
99 -12.6246 2.00000
100 -12.5606 2.00000
101 -12.5233 2.00000
102 -12.4874 2.00000
103 -12.4611 2.00000
104 -12.4199 2.00000
105 -12.3996 2.00000
106 -12.3700 2.00000
107 -12.3398 2.00000
108 -12.3097 2.00000
109 -12.2862 2.00000
110 -12.2695 2.00000
111 -12.2289 2.00000
112 -12.2213 2.00000
113 -12.1975 2.00000
114 -12.1423 2.00000
115 -12.1379 2.00000
116 -12.1054 2.00000
117 -12.1032 2.00000
118 -12.0618 2.00000
119 -12.0457 2.00000
120 -11.9916 2.00000
121 -11.9812 2.00000
122 -11.9456 2.00000
123 -11.9162 2.00000
124 -11.9091 2.00000
125 -11.8844 2.00000
126 -11.8680 2.00000
127 -11.8447 2.00000
128 -11.8304 2.00000
129 -11.8216 2.00000
130 -11.7811 2.00000
131 -11.7565 2.00000
132 -11.7267 2.00000
133 -11.7178 2.00000
134 -11.6829 2.00000
135 -11.6157 2.00000
136 -11.6036 2.00000
137 -11.5943 2.00000
138 -11.5771 2.00000
139 -11.5173 2.00000
140 -11.5115 2.00000
141 -11.4427 2.00000
142 -11.4090 2.00000
143 -11.3913 2.00000
144 -11.3261 2.00000
145 -11.1636 2.00000
146 -11.0528 2.00000
147 -11.0475 2.00000
148 -10.6309 2.00000
149 -10.4866 2.00000
150 -10.3846 2.00000
151 -10.1442 2.00000
152 -10.1005 2.00000
153 -10.0632 2.00000
154 -9.8814 2.00000
155 -9.8300 2.00000
156 -9.8125 2.00000
157 -9.7731 2.00000
158 -9.6448 2.00000
159 -9.5920 2.00000
160 -9.4865 2.00000
161 -9.4703 2.00000
162 -9.3986 2.00000
163 -9.3766 2.00000
164 -9.3395 2.00000
165 -9.3124 2.00000
166 -9.1926 2.00000
167 -9.1860 2.00000
168 -9.1590 2.00000
169 -9.0726 2.00000
170 -8.9839 2.00000
171 -8.9692 2.00000
172 -8.9183 2.00000
173 -8.8741 2.00000
174 -8.8324 2.00000
175 -8.8012 2.00000
176 -8.7340 2.00000
177 -8.6923 2.00000
178 -8.6492 2.00000
179 -8.5927 2.00000
180 -8.4498 2.00000
181 -8.3966 2.00000
182 -8.3285 2.00000
183 -8.2802 2.00000
184 -8.2143 2.00000
185 -8.1890 2.00000
186 -8.1682 2.00000
187 -8.0956 2.00000
188 -8.0784 2.00000
189 -8.0251 2.00000
190 -7.9777 2.00000
191 -7.9587 2.00000
192 -7.9114 2.00000
193 -7.8376 2.00000
194 -7.7808 2.00000
195 -7.7401 2.00000
196 -7.7005 2.00000
197 -7.6608 2.00000
198 -7.6332 2.00000
199 -7.5923 2.00000
200 -7.5694 2.00000
201 -7.5395 2.00000
202 -7.5140 2.00000
203 -7.4814 2.00000
204 -7.4326 2.00000
205 -7.4070 2.00000
206 -7.3388 2.00000
207 -7.3291 2.00000
208 -7.2858 2.00000
209 -7.2577 2.00000
210 -7.2423 2.00000
211 -7.2025 2.00000
212 -7.1830 2.00000
213 -7.1394 2.00000
214 -7.1199 2.00000
215 -7.0879 2.00000
216 -7.0529 2.00000
217 -7.0232 2.00000
218 -6.9906 2.00000
219 -6.9618 2.00000
220 -6.9185 2.00000
221 -6.8885 2.00000
222 -6.8087 2.00000
223 -6.7820 2.00000
224 -6.7452 2.00000
225 -6.7042 2.00000
226 -6.6895 2.00000
227 -6.6843 2.00000
228 -6.6637 2.00000
229 -6.6473 2.00000
230 -6.6050 2.00000
231 -6.5851 2.00000
232 -6.5246 2.00000
233 -6.4978 2.00000
234 -6.4772 2.00000
235 -6.3981 2.00000
236 -6.3506 2.00000
237 -6.3199 2.00000
238 -6.2985 2.00000
239 -6.2198 2.00000
240 -6.1757 2.00000
241 -6.1473 2.00000
242 -6.1164 2.00000
243 -6.0932 2.00000
244 -6.0657 2.00000
245 -6.0414 2.00000
246 -6.0364 2.00000
247 -6.0030 2.00000
248 -5.9988 2.00000
249 -5.9567 2.00000
250 -5.9044 2.00000
251 -5.8795 2.00000
252 -5.8492 2.00000
253 -5.8233 2.00000
254 -5.7815 2.00000
255 -5.7707 2.00000
256 -5.7547 2.00000
257 -5.7410 2.00000
258 -5.7304 2.00000
259 -5.7125 2.00000
260 -5.7048 2.00000
261 -5.6859 2.00000
262 -5.6567 2.00000
263 -5.6371 2.00000
264 -5.6206 2.00000
265 -5.6010 2.00000
266 -5.5796 2.00000
267 -5.5686 2.00000
268 -5.5393 2.00000
269 -5.5237 2.00000
270 -5.5187 2.00000
271 -5.4937 2.00000
272 -5.4760 2.00000
273 -5.4557 2.00000
274 -5.4457 2.00000
275 -5.4335 2.00000
276 -5.4260 2.00000
277 -5.4073 2.00000
278 -5.3994 2.00000
279 -5.3837 2.00000
280 -5.3564 2.00000
281 -5.3460 2.00000
282 -5.3141 2.00000
283 -5.2972 2.00000
284 -5.2852 2.00000
285 -5.2769 2.00000
286 -5.2647 2.00000
287 -5.2535 2.00000
288 -5.2373 2.00000
289 -5.2252 2.00000
290 -5.2115 2.00000
291 -5.2020 2.00000
292 -5.1827 2.00000
293 -5.1802 2.00000
294 -5.1713 2.00000
295 -5.1518 2.00000
296 -5.1451 2.00000
297 -5.1391 2.00000
298 -5.1174 2.00000
299 -5.0934 2.00000
300 -5.0874 2.00000
301 -5.0742 2.00000
302 -5.0701 2.00000
303 -5.0541 2.00000
304 -5.0459 2.00000
305 -5.0259 2.00000
306 -5.0145 2.00000
307 -4.9971 2.00000
308 -4.9911 2.00000
309 -4.9783 2.00000
310 -4.9553 2.00000
311 -4.9466 2.00000
312 -4.9243 2.00000
313 -4.9241 2.00000
314 -4.9125 2.00000
315 -4.8900 2.00000
316 -4.8826 2.00000
317 -4.8743 2.00000
318 -4.8624 2.00000
319 -4.8494 2.00000
320 -4.8340 2.00000
321 -4.8267 2.00000
322 -4.8154 2.00000
323 -4.8077 2.00000
324 -4.8037 2.00000
325 -4.7857 2.00000
326 -4.7714 2.00000
327 -4.7622 2.00000
328 -4.7463 2.00000
329 -4.7397 2.00000
330 -4.7286 2.00000
331 -4.7178 2.00000
332 -4.7123 2.00000
333 -4.7028 2.00000
334 -4.6845 2.00000
335 -4.6794 2.00000
336 -4.6668 2.00000
337 -4.6614 2.00000
338 -4.6356 2.00000
339 -4.6209 2.00000
340 -4.6158 2.00000
341 -4.6037 2.00000
342 -4.5909 2.00000
343 -4.5705 2.00000
344 -4.5536 2.00000
345 -4.5489 2.00000
346 -4.5371 2.00000
347 -4.5159 2.00000
348 -4.5065 2.00000
349 -4.4863 2.00000
350 -4.4786 2.00000
351 -4.4665 2.00000
352 -4.4533 2.00000
353 -4.4441 2.00000
354 -4.4384 2.00000
355 -4.4303 2.00000
356 -4.4139 2.00000
357 -4.4027 2.00000
358 -4.3873 2.00000
359 -4.3766 2.00000
360 -4.3678 2.00000
361 -4.3577 2.00000
362 -4.3412 2.00000
363 -4.3328 2.00000
364 -4.3153 2.00000
365 -4.3038 2.00000
366 -4.2776 2.00000
367 -4.2702 2.00000
368 -4.2566 2.00000
369 -4.2373 2.00000
370 -4.2311 2.00000
371 -4.2225 2.00000
372 -4.2067 2.00000
373 -4.1920 2.00000
374 -4.1764 2.00000
375 -4.1545 2.00000
376 -4.1464 2.00000
377 -4.1351 2.00000
378 -4.1254 2.00000
379 -4.1121 2.00000
380 -4.1067 2.00000
381 -4.1019 2.00000
382 -4.0688 2.00000
383 -4.0592 2.00000
384 -4.0488 2.00000
385 -4.0392 2.00000
386 -4.0266 2.00000
387 -4.0146 2.00000
388 -4.0049 2.00000
389 -3.9842 2.00000
390 -3.9759 2.00000
391 -3.9712 2.00000
392 -3.9536 2.00000
393 -3.9354 2.00000
394 -3.9207 2.00000
395 -3.9019 2.00000
396 -3.8898 2.00000
397 -3.8855 2.00000
398 -3.8691 2.00000
399 -3.8644 2.00000
400 -3.8498 2.00000
401 -3.8424 2.00000
402 -3.8304 2.00000
403 -3.8037 2.00000
404 -3.7999 2.00000
405 -3.7719 2.00000
406 -3.7668 2.00000
407 -3.7562 2.00000
408 -3.7402 2.00000
409 -3.7172 2.00000
410 -3.7086 2.00000
411 -3.7028 2.00000
412 -3.6947 2.00000
413 -3.6881 2.00000
414 -3.6763 2.00000
415 -3.6690 2.00000
416 -3.6477 2.00000
417 -3.6385 2.00000
418 -3.6350 2.00000
419 -3.6201 2.00000
420 -3.6065 2.00000
421 -3.5969 2.00000
422 -3.5872 2.00000
423 -3.5694 2.00000
424 -3.5484 2.00000
425 -3.5292 2.00000
426 -3.5162 2.00000
427 -3.5136 2.00000
428 -3.5040 2.00000
429 -3.4816 2.00000
430 -3.4641 2.00000
431 -3.4591 2.00000
432 -3.4432 2.00000
433 -3.4275 2.00000
434 -3.4245 2.00000
435 -3.4125 2.00000
436 -3.4026 2.00000
437 -3.3964 2.00000
438 -3.3670 2.00000
439 -3.3621 2.00000
440 -3.3549 2.00000
441 -3.3301 2.00000
442 -3.3199 2.00000
443 -3.3173 2.00000
444 -3.2864 2.00000
445 -3.2650 2.00000
446 -3.2635 2.00000
447 -3.2458 2.00000
448 -3.2324 2.00000
449 -3.2247 2.00000
450 -3.2171 2.00000
451 -3.2068 2.00000
452 -3.1860 2.00000
453 -3.1801 2.00000
454 -3.1745 2.00000
455 -3.1498 2.00000
456 -3.1478 2.00000
457 -3.1429 2.00000
458 -3.1223 2.00000
459 -3.1111 2.00000
460 -3.0934 2.00000
461 -3.0773 2.00000
462 -3.0754 2.00000
463 -3.0642 2.00000
464 -3.0614 2.00000
465 -3.0534 2.00000
466 -3.0364 2.00000
467 -3.0234 2.00000
468 -3.0229 2.00000
469 -3.0189 2.00000
470 -2.9996 2.00000
471 -2.9954 2.00000
472 -2.9833 2.00000
473 -2.9639 2.00000
474 -2.9535 2.00000
475 -2.9357 2.00000
476 -2.9179 2.00000
477 -2.9104 2.00000
478 -2.8950 2.00000
479 -2.8844 2.00000
480 -2.8796 2.00000
481 -2.8707 2.00000
482 -2.8542 2.00000
483 -2.8265 2.00000
484 -2.8214 2.00000
485 -2.8192 2.00000
486 -2.7990 2.00000
487 -2.7792 2.00000
488 -2.7599 2.00000
489 -2.7579 2.00000
490 -2.7531 2.00000
491 -2.7476 2.00000
492 -2.7303 2.00000
493 -2.7205 2.00000
494 -2.7064 2.00000
495 -2.7054 2.00000
496 -2.6911 2.00000
497 -2.6870 2.00000
498 -2.6720 2.00000
499 -2.6653 2.00000
500 -2.6522 2.00000
501 -2.6364 2.00000
502 -2.6188 2.00000
503 -2.6046 2.00000
504 -2.6026 2.00000
505 -2.5827 2.00000
506 -2.5719 2.00000
507 -2.5637 2.00000
508 -2.5408 2.00000
509 -2.5336 2.00000
510 -2.5266 2.00000
511 -2.5242 2.00000
512 -2.5048 2.00000
513 -2.4935 2.00000
514 -2.4830 2.00000
515 -2.4739 2.00000
516 -2.4565 2.00000
517 -2.4454 2.00000
518 -2.4227 2.00000
519 -2.4114 2.00000
520 -2.4072 2.00000
521 -2.3975 2.00000
522 -2.3892 2.00000
523 -2.3764 2.00000
524 -2.3671 2.00000
525 -2.3560 2.00000
526 -2.3446 2.00000
527 -2.3338 2.00000
528 -2.3276 2.00000
529 -2.3067 2.00000
530 -2.3017 2.00000
531 -2.2904 2.00000
532 -2.2796 2.00000
533 -2.2681 2.00000
534 -2.2478 2.00000
535 -2.2414 2.00000
536 -2.2243 2.00000
537 -2.2193 2.00000
538 -2.2113 2.00000
539 -2.1975 2.00000
540 -2.1944 2.00000
541 -2.1798 2.00000
542 -2.1632 2.00000
543 -2.1452 2.00000
544 -2.1361 2.00000
545 -2.1189 2.00000
546 -2.1097 2.00000
547 -2.0967 2.00000
548 -2.0834 2.00000
549 -2.0654 2.00000
550 -2.0512 2.00000
551 -2.0471 2.00000
552 -2.0295 2.00000
553 -2.0207 2.00000
554 -2.0035 2.00000
555 -1.9891 2.00000
556 -1.9632 2.00000
557 -1.9528 2.00000
558 -1.9345 2.00000
559 -1.9149 2.00000
560 -1.9073 2.00000
561 -1.8902 2.00000
562 -1.8702 2.00000
563 -1.8472 2.00000
564 -1.8335 2.00000
565 -1.8097 2.00000
566 -1.8067 2.00000
567 -1.7772 2.00000
568 -1.7710 2.00000
569 -1.7483 2.00000
570 -1.7291 2.00000
571 -1.6872 2.00000
572 -1.6805 2.00000
573 -1.6630 2.00000
574 -1.6521 2.00000
575 -1.6185 2.00000
576 -1.6127 2.00000
577 -1.5801 2.00000
578 -1.5649 2.00000
579 -1.5451 2.00000
580 -1.5341 2.00000
581 -1.5226 2.00000
582 -1.4816 2.00000
583 -1.4438 2.00000
584 -1.4225 2.00000
585 -1.4031 2.00000
586 -1.3739 2.00000
587 -1.3434 2.00000
588 -1.3261 2.00000
589 -1.3048 2.00000
590 -1.2573 2.00000
591 -1.2320 2.00000
592 -1.1945 2.00000
593 -1.1637 2.00000
594 -1.0958 2.00000
595 -1.0582 2.00000
596 -0.9685 2.00000
597 -0.8613 2.00000
598 -0.6284 2.00000
599 -0.1750 2.00000
600 0.2512 2.00066
601 0.6246 2.02151
602 0.6447 1.97783
603 1.7660 -0.00000
604 2.1191 -0.00000
605 2.4417 -0.00000
606 3.0958 -0.00000
607 3.1306 -0.00000
608 3.2731 -0.00000
609 3.4438 -0.00000
610 3.7458 -0.00000
611 3.8481 -0.00000
612 3.9164 -0.00000
613 3.9912 -0.00000
614 4.0097 -0.00000
615 4.0921 -0.00000
616 4.1435 -0.00000
617 4.1785 -0.00000
618 4.2737 -0.00000
619 4.2918 -0.00000
620 4.3271 -0.00000
621 4.3728 -0.00000
622 4.4155 -0.00000
623 4.4708 -0.00000
624 4.4765 -0.00000
625 4.5109 -0.00000
626 4.5227 -0.00000
627 4.5833 -0.00000
628 4.6252 -0.00000
629 4.6403 -0.00000
630 4.6561 -0.00000
631 4.6740 -0.00000
632 4.7004 -0.00000
633 4.7307 -0.00000
634 4.7407 -0.00000
635 4.7705 -0.00000
636 4.7960 -0.00000
637 4.8046 -0.00000
638 4.8345 -0.00000
639 4.8598 -0.00000
640 4.8766 -0.00000
641 4.9084 -0.00000
642 4.9258 -0.00000
643 4.9662 -0.00000
644 4.9896 -0.00000
645 5.0243 -0.00000
646 5.0328 -0.00000
647 5.0533 -0.00000
648 5.0625 -0.00000
649 5.1072 -0.00000
650 5.1311 -0.00000
651 5.1399 -0.00000
652 5.1532 -0.00000
653 5.1590 -0.00000
654 5.2044 -0.00000
655 5.2117 -0.00000
656 5.2316 -0.00000
657 5.2425 -0.00000
658 5.2775 -0.00000
659 5.2973 -0.00000
660 5.3146 -0.00000
661 5.3273 -0.00000
662 5.3353 -0.00000
663 5.3625 -0.00000
664 5.3883 -0.00000
665 5.4130 -0.00000
666 5.4248 -0.00000
667 5.4362 -0.00000
668 5.4462 -0.00000
669 5.4475 -0.00000
670 5.4753 -0.00000
671 5.5130 -0.00000
672 5.5196 -0.00000
673 5.5285 -0.00000
674 5.5581 -0.00000
675 5.5637 -0.00000
676 5.5913 -0.00000
677 5.6068 -0.00000
678 5.6333 -0.00000
679 5.6371 -0.00000
680 5.6587 -0.00000
681 5.6724 -0.00000
682 5.6784 -0.00000
683 5.7091 -0.00000
684 5.7131 -0.00000
685 5.7255 -0.00000
686 5.7437 -0.00000
687 5.7567 -0.00000
688 5.7693 -0.00000
689 5.8031 -0.00000
690 5.8062 -0.00000
691 5.8333 -0.00000
692 5.8417 -0.00000
693 5.8535 -0.00000
694 5.8736 -0.00000
695 5.8799 -0.00000
696 5.9034 -0.00000
697 5.9138 -0.00000
698 5.9375 -0.00000
699 5.9508 -0.00000
700 5.9548 -0.00000
701 5.9598 -0.00000
702 6.0029 -0.00000
703 6.0145 -0.00000
704 6.0295 -0.00000
705 6.0495 -0.00000
706 6.0543 -0.00000
707 6.0632 -0.00000
708 6.0878 -0.00000
709 6.0935 -0.00000
710 6.1026 -0.00000
711 6.1246 -0.00000
712 6.1391 0.00000
713 6.1492 0.00000
714 6.1709 0.00000
715 6.1790 0.00000
716 6.1965 0.00000
717 6.2003 0.00000
718 6.2166 0.00000
719 6.2318 0.00000
720 6.2633 0.00000
721 6.2646 0.00000
722 6.2822 0.00000
723 6.3003 0.00000
724 6.3041 0.00000
725 6.3227 0.00000
726 6.3457 0.00000
727 6.3599 0.00000
728 6.3695 0.00000
729 6.3776 0.00000
730 6.3860 0.00000
731 6.4147 0.00000
732 6.4281 0.00000
733 6.4437 0.00000
734 6.4543 0.00000
735 6.4636 0.00000
736 6.4817 0.00000
737 6.4934 0.00000
738 6.5027 0.00000
739 6.5174 0.00000
740 6.5396 0.00000
741 6.5464 0.00000
742 6.5612 0.00000
743 6.5792 0.00000
744 6.5940 0.00000
745 6.6163 0.00000
746 6.6219 0.00000
747 6.6269 0.00000
748 6.6346 0.00000
749 6.6528 0.00000
750 6.6797 0.00000
751 6.6800 0.00000
752 6.6986 0.00000
753 6.7072 0.00000
754 6.7277 0.00000
755 6.7395 0.00000
756 6.7509 0.00000
757 6.7709 0.00000
758 6.7834 0.00000
759 6.8007 0.00000
760 6.8120 0.00000
761 6.8158 0.00000
762 6.8411 0.00000
763 6.8500 0.00000
764 6.8626 0.00000
765 6.8715 0.00000
766 6.8777 0.00000
767 6.9008 0.00000
768 6.9059 0.00000
769 6.9368 0.00000
770 6.9486 0.00000
771 6.9645 0.00000
772 6.9713 0.00000
773 6.9770 0.00000
774 6.9954 0.00000
775 7.0156 0.00000
776 7.0222 0.00000
777 7.0402 0.00000
778 7.0492 0.00000
779 7.0659 0.00000
780 7.0889 0.00000
781 7.0918 0.00000
782 7.1123 0.00000
783 7.1171 0.00000
784 7.1409 0.00000
785 7.1448 0.00000
786 7.1534 0.00000
787 7.1617 0.00000
788 7.1929 0.00000
789 7.1998 0.00000
790 7.2145 0.00000
791 7.2261 0.00000
792 7.2482 0.00000
793 7.2541 0.00000
794 7.2801 0.00000
795 7.2944 0.00000
796 7.3458 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.497 -3.336 0.123 -0.990 -1.079 -0.050 0.389 0.463
-3.336 1.629 -0.109 0.563 0.867 0.039 -0.210 -0.336
0.123 -0.109 3.290 0.095 -0.261 -0.839 -0.019 0.058
-0.990 0.563 0.095 3.621 0.620 -0.019 -0.936 -0.302
-1.079 0.867 -0.261 0.620 4.418 0.058 -0.297 -1.333
-0.050 0.039 -0.839 -0.019 0.058 0.223 0.003 -0.011
0.389 -0.210 -0.019 -0.936 -0.297 0.003 0.258 0.125
0.463 -0.336 0.058 -0.302 -1.333 -0.011 0.125 0.421
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5220.78688 -8298.58757 -4996.95665 652.50702 -1718.49804 991.11532
Hartree 12985.50319 10484.63432 12476.61776 417.49179 -1721.20272 482.79596
E(xc) -4966.61491 -4968.25353 -4965.32315 1.45039 0.59982 1.11201
Local -22717.57557-17184.00186-22354.15817 -1036.06043 3492.21742 -1397.41976
n-local -578.11879 -581.55840 -542.93627 -12.18935 -3.81948 8.47948
augment 254.67966 256.68711 245.97515 0.63549 -2.24534 -4.97310
Kinetic 19036.04018 19119.07888 18897.90946 -20.09028 -37.20744 -94.26325
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.2362554 -162.3641720 -229.2349972 3.7446113 9.8442221 -13.1533444
in kB -62.6480665 -51.5716618 -72.8118131 1.1893993 3.1268160 -4.1778911
external PRESSURE = -62.3438471 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.129E+03 -.239E+02 -.338E+02 0.133E+03 0.230E+02 0.287E+02 -.437E+01 0.882E+00 0.504E+01 -.132E-02 -.838E-03 -.229E-04
0.744E+02 0.489E+01 0.115E+02 -.755E+02 -.666E+00 -.106E+02 0.105E+01 -.418E+01 -.913E+00 0.216E-03 0.261E-03 -.131E-02
-.460E+02 0.480E+02 -.164E+02 0.489E+02 -.493E+02 0.214E+02 -.288E+01 0.125E+01 -.507E+01 -.597E-03 0.372E-03 -.466E-03
0.641E+02 -.205E+02 0.546E+02 -.606E+02 0.246E+02 -.496E+02 -.350E+01 -.419E+01 -.505E+01 0.572E-03 -.112E-03 0.975E-04
-.413E+02 -.176E+02 0.248E+02 0.418E+02 0.174E+02 -.265E+02 -.359E+00 0.230E+00 0.172E+01 -.192E-03 0.416E-03 -.123E-02
0.729E+02 -.300E+01 -.105E+03 -.758E+02 0.465E+01 0.110E+03 0.277E+01 -.165E+01 -.537E+01 0.838E-03 -.536E-04 0.906E-03
0.392E+02 -.615E+02 -.816E+02 -.369E+02 0.607E+02 0.791E+02 -.245E+01 0.871E+00 0.250E+01 -.121E-02 0.255E-02 -.660E-03
0.196E+01 -.752E+02 -.120E+01 0.261E+01 0.749E+02 -.984E+00 -.452E+01 0.249E+00 0.215E+01 0.110E-03 0.969E-03 -.170E-04
-.955E+02 -.177E+02 0.207E+02 0.101E+03 0.229E+02 -.219E+02 -.604E+01 -.524E+01 0.132E+01 -.686E-03 -.362E-03 -.126E-02
0.154E+02 -.345E+02 -.456E+02 -.169E+02 0.309E+02 0.478E+02 0.147E+01 0.355E+01 -.225E+01 -.609E-03 0.494E-05 0.219E-03
-.459E+02 0.123E+02 0.605E+02 0.473E+02 -.135E+02 -.624E+02 -.147E+01 0.114E+01 0.198E+01 -.744E-04 0.184E-03 0.501E-03
0.855E+02 -.847E+02 -.148E+02 -.879E+02 0.904E+02 0.153E+02 0.256E+01 -.570E+01 -.440E+00 0.832E-03 -.614E-03 0.927E-03
-.554E+02 -.962E+02 -.123E+02 0.561E+02 0.989E+02 0.115E+02 -.739E+00 -.260E+01 0.830E+00 -.137E-02 0.179E-02 0.602E-03
0.279E+02 0.139E+01 -.554E+02 -.324E+02 -.167E+01 0.604E+02 0.443E+01 0.271E+00 -.500E+01 0.407E-03 0.196E-02 -.527E-03
0.569E+02 -.312E+02 0.659E+02 -.581E+02 0.337E+02 -.622E+02 0.121E+01 -.244E+01 -.365E+01 0.164E-03 0.442E-03 0.636E-04
-.660E+02 0.352E+02 0.186E+02 0.711E+02 -.410E+02 -.178E+02 -.511E+01 0.581E+01 -.851E+00 0.773E-04 0.842E-03 -.927E-03
-.536E+01 0.110E+03 0.147E+02 0.371E+01 -.119E+03 -.166E+02 0.157E+01 0.971E+01 0.193E+01 -.212E-03 0.304E-03 0.576E-03
-.459E+01 -.467E+02 -.326E+01 -.547E+01 0.473E+02 0.407E+01 0.100E+02 -.614E+00 -.801E+00 0.728E-03 0.401E-04 -.106E-03
0.306E+02 0.192E+02 0.107E+03 -.295E+02 -.191E+02 -.103E+03 -.105E+01 -.803E-01 -.406E+01 0.610E-03 0.122E-03 -.604E-03
-.184E+02 0.782E+02 0.285E+02 0.167E+02 -.709E+02 -.324E+02 0.166E+01 -.733E+01 0.398E+01 0.306E-03 -.118E-02 0.135E-04
0.104E+03 -.414E+02 0.379E+02 -.103E+03 0.399E+02 -.385E+02 -.143E+01 0.154E+01 0.559E+00 0.194E-02 -.153E-02 0.165E-03
-.495E+02 0.398E+02 -.796E+02 0.542E+02 -.426E+02 0.797E+02 -.476E+01 0.281E+01 0.814E-02 -.348E-03 -.156E-02 -.355E-03
0.697E+02 0.941E+02 -.868E+02 -.733E+02 -.956E+02 0.867E+02 0.366E+01 0.152E+01 0.110E+00 0.503E-03 -.119E-02 0.658E-03
0.542E+02 0.792E+01 -.187E+03 -.534E+02 -.684E+01 0.189E+03 -.740E+00 -.104E+01 -.280E+01 0.202E-03 -.376E-03 -.850E-04
-.836E+02 -.884E+01 -.927E+01 0.858E+02 0.108E+02 0.119E+02 -.233E+01 -.196E+01 -.264E+01 -.607E-03 0.982E-03 -.754E-03
0.232E+02 0.252E+02 0.718E+02 -.242E+02 -.179E+02 -.664E+02 0.982E+00 -.730E+01 -.540E+01 -.292E-04 -.145E-03 0.120E-02
-.937E+02 0.627E+01 0.700E+02 0.988E+02 -.392E+01 -.749E+02 -.500E+01 -.239E+01 0.495E+01 -.115E-02 0.142E-03 0.829E-03
-.908E+01 0.156E+02 0.862E+01 0.918E+01 -.136E+02 -.616E+01 0.964E-02 -.199E+01 -.246E+01 -.251E-03 0.407E-03 -.140E-02
0.248E+02 -.481E+02 -.895E+02 -.319E+02 0.519E+02 0.885E+02 0.705E+01 -.374E+01 0.104E+01 -.887E-04 -.132E-02 0.833E-04
0.160E+02 -.738E+02 -.655E+02 -.179E+02 0.750E+02 0.680E+02 0.185E+01 -.112E+01 -.258E+01 -.256E-03 0.747E-03 -.537E-03
-.498E+02 -.615E+02 0.343E+02 0.482E+02 0.733E+02 -.247E+02 0.153E+01 -.118E+02 -.944E+01 0.429E-03 -.744E-03 -.257E-03
0.845E+02 0.453E+02 0.721E+02 -.798E+02 -.455E+02 -.745E+02 -.466E+01 0.207E+00 0.243E+01 -.362E-03 0.121E-02 -.322E-03
-.523E+02 0.223E+01 0.285E+02 0.562E+02 -.530E+01 -.261E+02 -.403E+01 0.304E+01 -.236E+01 -.710E-03 -.554E-03 0.773E-04
0.161E+02 -.436E+02 -.213E+02 -.182E+02 0.491E+02 0.168E+02 0.201E+01 -.557E+01 0.456E+01 0.415E-03 0.138E-02 -.207E-02
-.287E+02 -.101E+03 -.666E+02 0.268E+02 0.988E+02 0.651E+02 0.200E+01 0.193E+01 0.145E+01 -.467E-03 -.701E-04 -.979E-03
0.399E+02 -.103E+03 -.452E+02 -.401E+02 0.109E+03 0.499E+02 0.288E+00 -.656E+01 -.478E+01 -.194E-03 -.772E-03 -.106E-02
0.108E+03 0.834E+02 0.815E+02 -.105E+03 -.889E+02 -.837E+02 -.321E+01 0.543E+01 0.222E+01 0.423E-03 0.104E-02 0.179E-02
0.240E+02 0.110E+03 0.214E+02 -.238E+02 -.110E+03 -.205E+02 -.314E-01 0.363E+00 -.102E+01 0.253E-03 0.193E-02 0.476E-03
-.496E+01 -.846E+02 -.720E+02 0.761E+01 0.849E+02 0.697E+02 -.261E+01 -.278E+00 0.234E+01 0.855E-03 0.103E-04 -.989E-03
0.956E+01 0.106E+03 0.560E+02 -.108E+02 -.109E+03 -.593E+02 0.113E+01 0.264E+01 0.329E+01 -.160E-03 -.555E-04 0.972E-03
0.208E+02 0.845E+01 0.132E+03 -.195E+02 -.864E+01 -.136E+03 -.143E+01 0.196E+00 0.371E+01 -.698E-03 -.213E-04 0.726E-04
-.152E+02 0.227E+02 0.426E+02 0.158E+02 -.218E+02 -.411E+02 -.504E+00 -.850E+00 -.160E+01 -.117E-02 -.268E-03 -.107E-02
0.202E+02 0.132E+03 0.337E+02 -.221E+02 -.133E+03 -.267E+02 0.189E+01 0.641E+00 -.709E+01 -.175E-03 -.463E-03 0.207E-03
0.869E+02 -.225E+02 -.103E+03 -.918E+02 0.184E+02 0.105E+03 0.484E+01 0.406E+01 -.279E+01 -.857E-03 -.140E-02 0.118E-03
0.838E+01 0.119E+02 -.154E+02 -.954E+01 -.129E+02 0.157E+02 0.104E+01 0.101E+01 -.405E+00 0.475E-03 -.159E-02 0.739E-03
-.198E+02 -.331E+02 0.105E+02 0.269E+02 0.355E+02 -.123E+02 -.702E+01 -.233E+01 0.189E+01 0.124E-02 -.153E-02 0.120E-02
-.534E+01 -.272E+02 -.872E+01 0.777E+01 0.233E+02 0.368E+01 -.238E+01 0.378E+01 0.507E+01 0.483E-03 -.108E-02 -.178E-03
0.516E+02 -.196E+02 0.610E+02 -.566E+02 0.166E+02 -.595E+02 0.494E+01 0.301E+01 -.154E+01 0.107E-03 0.302E-03 -.379E-04
-.530E+02 -.631E+02 -.171E+02 0.484E+02 0.654E+02 0.219E+02 0.457E+01 -.224E+01 -.473E+01 0.420E-04 -.137E-02 -.448E-03
0.271E+02 0.348E+02 0.454E+02 -.301E+02 -.353E+02 -.420E+02 0.300E+01 0.584E+00 -.337E+01 0.195E-03 0.696E-03 0.478E-03
0.826E+01 0.150E+02 0.605E+02 -.506E+01 -.149E+02 -.597E+02 -.317E+01 -.520E-01 -.786E+00 0.328E-03 0.370E-03 0.745E-03
-.190E+02 -.322E+02 -.216E+02 0.165E+02 0.275E+02 0.270E+02 0.244E+01 0.461E+01 -.548E+01 -.403E-03 -.297E-03 0.216E-03
-.751E+01 -.889E+02 -.318E+02 0.249E+01 0.862E+02 0.372E+02 0.501E+01 0.281E+01 -.543E+01 0.866E-03 0.175E-03 -.240E-03
-.308E+02 -.534E+02 -.800E+02 0.286E+02 0.470E+02 0.860E+02 0.225E+01 0.636E+01 -.590E+01 -.131E-03 0.154E-02 -.139E-02
-.911E+01 -.933E+01 -.130E+02 0.931E+01 0.495E+01 0.134E+02 -.207E+00 0.447E+01 -.510E+00 0.337E-03 0.130E-02 -.151E-02
-.587E+01 -.414E+02 0.780E+02 0.538E+01 0.458E+02 -.795E+02 0.402E+00 -.436E+01 0.140E+01 0.202E-03 0.422E-03 0.176E-02
-.491E+02 -.389E+02 -.620E+02 0.556E+02 0.432E+02 0.620E+02 -.656E+01 -.427E+01 0.936E-02 -.130E-02 0.104E-02 -.870E-03
-.193E+02 0.761E+02 -.582E+02 0.174E+02 -.825E+02 0.602E+02 0.193E+01 0.654E+01 -.206E+01 0.481E-03 -.737E-03 0.167E-02
-.843E+02 0.323E+02 0.959E+02 0.867E+02 -.308E+02 -.974E+02 -.253E+01 -.155E+01 0.154E+01 -.578E-04 0.146E-02 -.204E-02
-.188E+02 0.696E+02 0.493E+02 0.131E+02 -.669E+02 -.504E+02 0.562E+01 -.266E+01 0.103E+01 0.612E-03 0.143E-03 0.143E-02
-.521E+02 0.131E+03 0.213E+02 0.544E+02 -.135E+03 -.230E+02 -.215E+01 0.355E+01 0.169E+01 0.117E-03 0.427E-04 -.167E-02
-.704E+01 0.363E+02 -.100E+03 0.165E+01 -.369E+02 0.104E+03 0.546E+01 0.583E+00 -.335E+01 -.804E-03 0.208E-03 -.189E-02
-.122E+02 0.405E+02 0.115E+02 0.124E+02 -.360E+02 -.188E+02 -.225E+00 -.459E+01 0.731E+01 0.663E-03 -.673E-03 0.177E-02
0.120E+02 0.281E+02 -.162E+02 -.228E+01 -.284E+02 0.170E+02 -.979E+01 0.205E+00 -.809E+00 -.635E-03 -.486E-03 -.128E-02
0.514E+02 0.219E+02 0.167E+02 -.520E+02 -.224E+02 -.171E+02 0.595E+00 0.451E+00 0.352E+00 -.128E-03 -.895E-04 0.139E-03
0.137E+01 0.538E+02 0.869E+02 0.123E+01 -.561E+02 -.819E+02 -.253E+01 0.232E+01 -.503E+01 0.949E-05 -.921E-03 0.207E-02
-.749E+02 -.523E+00 -.805E+01 0.748E+02 0.789E+00 0.174E+01 0.297E-01 -.226E+00 0.632E+01 -.131E-02 -.321E-03 -.116E-02
0.132E+02 -.511E+02 0.179E+02 -.195E+02 0.529E+02 -.113E+02 0.628E+01 -.179E+01 -.656E+01 -.360E-03 -.162E-02 0.129E-02
-.456E+02 0.239E+02 -.448E+02 0.462E+02 -.278E+02 0.463E+02 -.542E+00 0.398E+01 -.149E+01 -.174E-02 -.113E-02 0.491E-03
-.518E+02 -.358E+02 0.663E+01 0.494E+02 0.325E+02 -.970E+01 0.240E+01 0.331E+01 0.311E+01 -.157E-03 -.566E-03 -.621E-04
-.729E+02 -.265E+02 -.832E+01 0.705E+02 0.235E+02 0.948E+01 0.234E+01 0.298E+01 -.118E+01 -.863E-03 -.922E-03 -.859E-04
0.577E+02 -.114E+02 0.524E+02 -.536E+02 0.119E+02 -.515E+02 -.405E+01 -.627E+00 -.878E+00 0.529E-03 0.822E-04 0.996E-03
0.164E+02 -.126E+01 0.239E+02 -.178E+02 -.365E+01 -.241E+02 0.139E+01 0.485E+01 0.202E+00 0.360E-04 0.263E-03 -.109E-02
0.212E+02 -.856E+02 -.260E+02 -.194E+02 0.820E+02 0.292E+02 -.180E+01 0.353E+01 -.307E+01 -.251E-03 0.217E-03 0.291E-05
-.297E+02 0.233E+00 0.153E+02 0.335E+02 0.339E+00 -.162E+02 -.389E+01 -.635E+00 0.983E+00 -.666E-05 0.523E-04 -.327E-03
0.801E+01 0.823E+01 0.282E+02 -.794E+01 -.472E+01 -.250E+02 -.647E-01 -.353E+01 -.323E+01 0.822E-03 0.548E-03 0.649E-03
-.194E+02 -.102E+03 -.428E+02 0.214E+02 0.983E+02 0.412E+02 -.204E+01 0.407E+01 0.159E+01 -.137E-02 0.143E-03 0.105E-02
0.296E+02 -.155E+03 -.124E+03 -.302E+02 0.160E+03 0.129E+03 0.633E+00 -.496E+01 -.484E+01 0.378E-03 0.454E-03 0.655E-03
0.907E+02 0.217E+02 0.770E+02 -.874E+02 -.227E+02 -.748E+02 -.330E+01 0.101E+01 -.231E+01 0.204E-03 -.774E-03 -.419E-03
0.572E+02 0.124E+02 0.566E+02 -.576E+02 -.736E+01 -.536E+02 0.354E+00 -.504E+01 -.299E+01 -.309E-03 0.137E-02 0.131E-02
-.913E+02 -.335E+01 0.506E+02 0.880E+02 0.106E+01 -.497E+02 0.340E+01 0.229E+01 -.930E+00 -.389E-03 0.633E-03 -.215E-02
-.367E+02 0.275E+02 0.935E+01 0.347E+02 -.305E+02 -.133E+02 0.195E+01 0.300E+01 0.397E+01 0.211E-03 0.319E-03 -.931E-03
0.467E+02 0.206E+02 -.569E+02 -.485E+02 -.239E+02 0.533E+02 0.174E+01 0.327E+01 0.364E+01 0.112E-02 -.167E-02 0.352E-03
0.101E+01 0.866E+02 -.571E+02 -.310E+00 -.822E+02 0.586E+02 -.699E+00 -.440E+01 -.147E+01 -.330E-04 -.129E-02 -.123E-03
0.141E+02 -.264E+02 0.262E+02 -.156E+02 0.297E+02 -.315E+02 0.151E+01 -.331E+01 0.533E+01 0.106E-02 -.375E-03 -.915E-03
-.761E+02 -.120E+01 0.322E+02 0.715E+02 0.115E+01 -.301E+02 0.458E+01 0.872E-01 -.213E+01 -.979E-03 -.960E-04 0.756E-03
-.323E+02 -.111E+03 0.187E+02 0.306E+02 0.107E+03 -.177E+02 0.172E+01 0.438E+01 -.101E+01 0.531E-03 -.700E-03 -.161E-03
0.506E+02 -.326E+02 -.115E+03 -.510E+02 0.312E+02 0.113E+03 0.364E+00 0.133E+01 0.175E+01 -.534E-03 -.694E-03 -.550E-03
0.134E+02 -.795E+00 0.181E+02 -.152E+02 0.284E+01 -.213E+02 0.170E+01 -.206E+01 0.323E+01 -.581E-04 0.343E-03 -.336E-03
0.353E+02 -.853E+02 -.348E+02 -.330E+02 0.817E+02 0.303E+02 -.235E+01 0.362E+01 0.460E+01 -.725E-03 -.831E-03 -.795E-03
0.458E+02 0.261E+02 0.159E+01 -.498E+02 -.241E+02 -.433E-01 0.405E+01 -.193E+01 -.158E+01 0.211E-03 0.116E-02 0.710E-04
0.559E+02 0.110E+03 0.492E+01 -.510E+02 -.109E+03 -.340E+01 -.498E+01 -.512E+00 -.150E+01 0.359E-03 0.233E-03 0.123E-02
0.741E+02 -.616E+02 -.109E+03 -.778E+02 0.661E+02 0.117E+03 0.375E+01 -.449E+01 -.730E+01 -.155E-03 0.363E-03 0.252E-03
-.486E+01 0.202E+02 0.605E+02 0.452E+01 -.165E+02 -.575E+02 0.398E+00 -.362E+01 -.301E+01 0.261E-03 0.687E-03 0.127E-03
-.351E+02 -.272E+01 0.888E+01 0.330E+02 0.471E+01 -.496E+01 0.211E+01 -.200E+01 -.392E+01 -.280E-04 -.157E-03 -.768E-05
0.660E+01 -.572E+02 0.208E+02 -.784E+01 0.536E+02 -.233E+02 0.121E+01 0.354E+01 0.249E+01 0.941E-04 0.643E-03 -.670E-04
-.281E+02 -.957E+01 -.682E+01 0.264E+02 0.613E+01 0.112E+02 0.173E+01 0.344E+01 -.444E+01 -.122E-03 0.556E-03 0.805E-04
0.102E+02 -.378E+02 0.273E+02 -.523E+01 0.388E+02 -.281E+02 -.499E+01 -.974E+00 0.957E+00 0.478E-03 -.703E-03 0.118E-02
-.449E+02 -.142E+02 0.353E+02 0.471E+02 0.181E+02 -.393E+02 -.229E+01 -.389E+01 0.392E+01 0.475E-03 0.151E-02 -.168E-02
-.179E+02 -.324E+02 -.853E+01 0.200E+02 0.341E+02 0.115E+02 -.213E+01 -.166E+01 -.296E+01 -.218E-03 -.105E-02 -.250E-03
-.120E+03 0.155E+02 -.133E+03 0.123E+03 -.190E+02 0.138E+03 -.272E+01 0.343E+01 -.496E+01 0.553E-03 -.114E-03 -.390E-03
-.411E+02 0.830E+02 0.694E+02 0.435E+02 -.816E+02 -.663E+02 -.234E+01 -.143E+01 -.313E+01 0.934E-03 0.138E-02 -.155E-02
-.514E-01 0.241E+02 -.601E+02 0.412E+01 -.240E+02 0.619E+02 -.408E+01 -.431E-01 -.181E+01 -.125E-02 0.908E-03 -.162E-02
0.733E+00 -.324E+02 0.739E+02 -.138E+01 0.301E+02 -.733E+02 0.697E+00 0.242E+01 -.578E+00 0.446E-03 -.341E-03 0.795E-03
0.194E+02 0.159E+02 -.440E+02 -.227E+02 -.148E+02 0.399E+02 0.327E+01 -.118E+01 0.419E+01 -.709E-03 -.421E-04 -.182E-02
-.782E+02 0.289E+02 0.550E+00 0.739E+02 -.277E+02 -.582E+00 0.423E+01 -.124E+01 -.474E-02 -.156E-02 -.115E-02 -.341E-03
0.880E+00 -.190E+02 0.171E+02 -.263E+01 0.191E+02 -.186E+02 0.181E+01 -.158E+00 0.159E+01 -.277E-03 0.194E-03 -.649E-03
0.681E+02 -.103E+02 -.119E+03 -.661E+02 0.970E+01 0.117E+03 -.191E+01 0.627E+00 0.207E+01 0.880E-03 0.383E-04 0.178E-03
0.782E+02 0.207E+02 -.507E+02 -.756E+02 -.193E+02 0.488E+02 -.259E+01 -.142E+01 0.187E+01 0.952E-03 0.112E-02 -.151E-02
0.905E+02 0.152E+02 -.189E+02 -.877E+02 -.140E+02 0.168E+02 -.278E+01 -.121E+01 0.214E+01 0.139E-02 0.897E-03 -.737E-03
0.187E+02 -.749E+01 0.891E+02 -.190E+02 0.654E+01 -.867E+02 0.250E+00 0.924E+00 -.243E+01 0.434E-03 -.346E-03 0.219E-03
0.193E+02 -.335E+02 0.352E+00 -.195E+02 0.317E+02 -.969E+00 0.232E+00 0.171E+01 0.631E+00 0.978E-04 -.291E-03 0.136E-03
-.275E+01 0.372E+02 0.171E+02 0.828E+00 -.337E+02 -.156E+02 0.188E+01 -.350E+01 -.151E+01 0.902E-04 0.138E-02 -.351E-04
0.436E+02 -.164E+02 0.663E+02 -.432E+02 0.154E+02 -.690E+02 -.350E+00 0.107E+01 0.282E+01 -.153E-03 -.857E-03 -.210E-03
0.229E+02 0.694E+01 0.461E+02 -.215E+02 -.443E+01 -.473E+02 -.134E+01 -.251E+01 0.113E+01 0.344E-03 -.420E-03 0.311E-03
0.216E+02 -.291E+02 -.171E+02 -.217E+02 0.301E+02 0.164E+02 0.108E+00 -.113E+01 0.778E+00 0.529E-03 -.740E-03 0.664E-03
-.543E+02 -.551E+01 -.625E+02 0.533E+02 0.599E+01 0.595E+02 0.939E+00 -.486E+00 0.305E+01 -.755E-03 -.513E-04 -.554E-03
-.493E+02 -.314E+02 -.476E+02 0.486E+02 0.332E+02 0.452E+02 0.693E+00 -.177E+01 0.247E+01 -.136E-03 -.618E-03 -.107E-03
-.208E+02 -.273E+02 0.807E+02 0.198E+02 0.258E+02 -.784E+02 0.980E+00 0.150E+01 -.221E+01 -.258E-03 -.541E-04 0.225E-02
0.610E+02 0.388E+02 -.206E+02 -.592E+02 -.378E+02 0.209E+02 -.181E+01 -.107E+01 -.265E+00 0.767E-03 -.301E-03 0.150E-02
0.493E+02 -.361E+01 0.544E+02 -.474E+02 0.339E+01 -.529E+02 -.187E+01 0.287E+00 -.145E+01 0.506E-03 -.811E-03 0.162E-02
-.108E+02 0.152E+02 -.239E+01 0.933E+01 -.149E+02 0.406E+01 0.144E+01 -.241E+00 -.161E+01 -.424E-03 0.530E-03 -.350E-03
0.204E+01 -.296E+02 -.308E+02 -.265E+01 0.294E+02 0.282E+02 0.619E+00 0.154E+00 0.256E+01 -.530E-03 -.146E-02 0.782E-03
0.135E+02 0.114E+03 0.546E+01 -.136E+02 -.112E+03 -.610E+01 0.106E+00 -.194E+01 0.623E+00 -.801E-03 0.291E-03 0.111E-02
-.113E+02 -.858E+02 -.604E+02 0.106E+02 0.836E+02 0.586E+02 0.600E+00 0.222E+01 0.185E+01 -.300E-03 -.213E-03 -.196E-03
-.502E+02 -.149E+02 -.431E+02 0.478E+02 0.133E+02 0.414E+02 0.251E+01 0.162E+01 0.168E+01 -.153E-04 -.554E-04 -.100E-02
0.377E+02 -.360E+02 0.481E+01 -.355E+02 0.352E+02 -.482E+01 -.224E+01 0.822E+00 0.204E-01 0.413E-03 0.380E-03 0.475E-03
0.603E+02 0.239E+02 0.115E+03 -.652E+02 -.244E+02 -.121E+03 0.485E+01 0.531E+00 0.569E+01 -.426E-03 0.121E-02 -.693E-03
0.110E+03 0.302E+01 0.214E+03 -.119E+03 -.782E+01 -.230E+03 0.853E+01 0.481E+01 0.156E+02 0.104E-02 0.262E-03 0.531E-05
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.140E+02 0.131E+02 0.183E+02 0.133E-02 -.346E-03 0.164E-02
0.311E+02 -.577E+02 0.906E+02 -.290E+02 0.625E+02 -.998E+02 -.214E+01 -.484E+01 0.915E+01 0.384E-04 0.689E-03 -.593E-03
-.495E+02 -.294E+02 -.883E+02 0.562E+02 0.330E+02 0.949E+02 -.675E+01 -.360E+01 -.654E+01 -.474E-03 -.746E-03 -.148E-02
0.322E+02 -.856E+00 -.207E+02 -.295E+02 -.569E+01 0.621E+01 -.270E+01 0.655E+01 0.145E+02 0.847E-03 0.116E-02 0.880E-03
0.577E+02 -.152E+02 -.937E+02 -.629E+02 0.979E+01 0.999E+02 0.527E+01 0.543E+01 -.623E+01 -.363E-03 0.258E-02 -.164E-02
0.509E+01 -.629E+02 -.632E+02 0.249E+01 0.610E+02 0.668E+02 -.757E+01 0.197E+01 -.357E+01 0.537E-03 0.107E-02 0.189E-03
0.564E+02 -.133E+03 -.128E+03 -.573E+02 0.139E+03 0.138E+03 0.885E+00 -.593E+01 -.108E+02 -.527E-03 0.210E-02 -.115E-02
-.717E+02 -.151E+03 -.617E+00 0.606E+02 0.171E+03 -.867E+00 0.111E+02 -.198E+02 0.146E+01 -.142E-02 -.886E-03 0.296E-03
-.833E+02 0.489E+02 0.343E+02 0.754E+02 -.430E+02 -.423E+02 0.789E+01 -.589E+01 0.804E+01 -.957E-03 0.104E-03 -.121E-02
0.527E+02 -.726E+02 -.204E+02 -.511E+02 0.711E+02 0.194E+02 -.166E+01 0.157E+01 0.103E+01 0.286E-03 -.845E-03 0.120E-02
0.977E+02 -.101E+03 -.552E+02 -.949E+02 0.102E+03 0.575E+02 -.285E+01 -.138E+01 -.238E+01 0.184E-02 -.109E-03 -.161E-02
-.370E+02 0.618E+02 0.392E+02 0.474E+02 -.842E+02 -.378E+02 -.104E+02 0.223E+02 -.141E+01 -.185E-03 0.143E-02 0.159E-02
-.561E+02 -.156E+03 -.606E+02 0.689E+02 0.160E+03 0.641E+02 -.128E+02 -.454E+01 -.338E+01 -.182E-02 0.285E-02 -.734E-03
0.128E+03 -.257E+02 0.139E+03 -.134E+03 0.246E+02 -.157E+03 0.618E+01 0.112E+01 0.184E+02 -.290E-03 0.212E-02 -.252E-03
0.132E+03 -.124E+03 -.285E+02 -.153E+03 0.114E+03 0.903E+01 0.212E+02 0.103E+02 0.194E+02 -.480E-03 0.361E-02 0.350E-02
-.780E+01 0.164E+03 0.122E+03 0.796E+01 -.176E+03 -.128E+03 -.164E+00 0.117E+02 0.526E+01 0.126E-03 0.132E-02 0.533E-03
-.105E+03 -.500E+02 0.164E+02 0.108E+03 0.511E+02 -.260E+02 -.325E+01 -.109E+01 0.958E+01 -.356E-04 0.523E-03 -.679E-03
0.727E+02 -.274E+02 0.998E+02 -.804E+02 0.305E+02 -.963E+02 0.769E+01 -.311E+01 -.353E+01 0.511E-03 -.382E-04 -.454E-03
-.128E+02 0.594E+01 0.184E+03 0.282E+01 -.270E+01 -.186E+03 0.100E+02 -.324E+01 0.198E+01 0.542E-03 0.701E-03 -.606E-03
0.213E+02 0.945E+00 0.147E+03 -.233E+02 -.168E+01 -.153E+03 0.202E+01 0.730E+00 0.574E+01 0.788E-03 0.895E-03 0.590E-03
-.186E+02 0.173E+03 -.841E+02 0.218E+02 -.176E+03 0.987E+02 -.308E+01 0.305E+01 -.146E+02 -.341E-03 -.917E-03 0.550E-03
-.607E+02 0.196E+03 -.585E+02 0.634E+02 -.208E+03 0.691E+02 -.260E+01 0.118E+02 -.106E+02 0.188E-03 -.169E-02 0.185E-02
0.273E+02 0.155E+03 -.611E+02 -.428E+02 -.161E+03 0.670E+02 0.155E+02 0.659E+01 -.602E+01 -.479E-03 -.201E-02 -.515E-03
0.960E+02 0.206E+02 -.959E+02 -.102E+03 -.194E+02 0.897E+02 0.598E+01 -.124E+01 0.617E+01 0.126E-02 -.596E-03 0.940E-03
0.996E+02 0.118E+03 -.446E+02 -.105E+03 -.129E+03 0.398E+02 0.545E+01 0.105E+02 0.480E+01 0.124E-02 -.162E-02 0.796E-03
-.110E+03 0.843E+02 -.286E+02 0.108E+03 -.885E+02 0.319E+02 0.189E+01 0.426E+01 -.335E+01 -.111E-02 0.615E-03 -.189E-02
-.500E+02 -.340E+02 0.795E+02 0.440E+02 0.367E+02 -.771E+02 0.596E+01 -.270E+01 -.236E+01 -.139E-02 0.128E-02 0.337E-03
-.533E+02 0.125E+03 0.169E+03 0.519E+02 -.137E+03 -.180E+03 0.137E+01 0.118E+02 0.108E+02 -.174E-02 0.971E-03 0.145E-02
-.775E+02 0.440E+02 0.171E+02 0.779E+02 -.506E+02 -.160E+02 -.400E+00 0.656E+01 -.107E+01 -.122E-02 0.130E-02 -.102E-02
0.360E+02 0.709E+02 0.507E+02 -.341E+02 -.791E+02 -.537E+02 -.190E+01 0.820E+01 0.295E+01 -.148E-03 0.804E-03 -.183E-02
0.782E+01 -.849E+01 -.279E+02 -.103E+02 0.116E+02 0.319E+02 0.251E+01 -.314E+01 -.408E+01 0.174E-03 -.748E-03 -.284E-03
-.536E+02 -.362E+02 0.234E+02 0.642E+02 0.311E+02 -.383E+02 -.106E+02 0.499E+01 0.149E+02 -.546E-04 -.115E-02 -.174E-04
0.152E+02 -.498E+02 -.553E+02 -.212E+02 0.538E+02 0.566E+02 0.607E+01 -.395E+01 -.137E+01 -.541E-04 0.837E-03 -.140E-02
0.488E+02 -.191E+03 -.751E+02 -.628E+02 0.214E+03 0.966E+02 0.140E+02 -.228E+02 -.216E+02 -.105E-02 -.532E-03 0.580E-03
-.625E+02 -.558E+02 -.217E+02 0.711E+02 0.481E+02 0.231E+02 -.862E+01 0.774E+01 -.136E+01 0.131E-04 -.103E-03 0.558E-03
-.181E+02 0.160E+02 -.134E+03 0.348E+02 -.218E+02 0.120E+03 -.167E+02 0.577E+01 0.142E+02 0.120E-02 -.143E-04 0.417E-03
0.119E+03 0.158E+03 0.117E+03 -.128E+03 -.171E+03 -.130E+03 0.866E+01 0.132E+02 0.122E+02 0.105E-02 0.123E-02 0.572E-03
-.660E+02 -.394E+02 -.831E+01 0.655E+02 0.376E+02 0.424E+01 0.454E+00 0.177E+01 0.406E+01 -.139E-02 -.587E-03 -.906E-03
0.568E+02 0.176E+02 0.400E+02 -.591E+02 -.165E+02 -.393E+02 0.230E+01 -.111E+01 -.640E+00 0.550E-03 0.179E-02 -.112E-02
-.603E+02 -.277E+02 -.340E+02 0.602E+02 0.271E+02 0.332E+02 0.949E-01 0.668E+00 0.790E+00 -.200E-02 0.699E-03 -.143E-02
0.134E+02 -.118E+03 -.711E+02 -.194E+02 0.120E+03 0.739E+02 0.595E+01 -.233E+01 -.279E+01 -.546E-03 -.272E-03 -.259E-02
-.452E+01 -.745E+02 -.351E+02 -.132E+01 0.701E+02 0.294E+02 0.586E+01 0.440E+01 0.577E+01 -.740E-03 -.146E-02 -.137E-02
-.862E+02 -.974E+02 -.365E+02 0.968E+02 0.911E+02 0.317E+02 -.106E+02 0.624E+01 0.486E+01 -.437E-03 -.647E-03 -.141E-02
0.531E+01 0.223E+03 -.689E+02 -.725E+01 -.214E+03 0.106E+03 0.196E+01 -.901E+01 -.371E+02 -.676E-03 0.351E-02 0.453E-03
-.706E+02 0.471E+02 -.545E+02 0.930E+02 -.419E+02 0.549E+02 -.224E+02 -.510E+01 -.369E+00 -.166E-03 0.339E-03 0.164E-03
-.179E+02 0.321E+03 0.151E+03 0.186E+02 -.349E+03 -.160E+03 -.665E+00 0.278E+02 0.100E+02 0.938E-03 0.253E-02 0.156E-02
0.167E+03 0.259E+02 0.616E+02 -.172E+03 -.387E+01 -.556E+02 0.552E+01 -.220E+02 -.597E+01 0.108E-02 0.147E-02 0.244E-02
-.136E+03 0.339E+02 0.708E+00 0.156E+03 -.152E+02 0.255E+02 -.201E+02 -.188E+02 -.262E+02 -.284E-02 0.184E-02 -.888E-03
0.670E+02 -.180E+03 -.561E+02 -.716E+02 0.201E+03 0.512E+02 0.466E+01 -.204E+02 0.496E+01 0.981E-03 0.679E-03 -.275E-02
-.348E+02 0.864E+02 0.573E+02 0.412E+02 -.908E+02 -.571E+02 -.641E+01 0.438E+01 -.158E+00 -.728E-03 -.312E-03 -.468E-04
-.805E+02 -.128E+02 0.386E+02 0.883E+02 0.173E+02 -.368E+02 -.784E+01 -.444E+01 -.173E+01 -.124E-02 0.355E-03 -.562E-03
0.442E+02 0.275E+02 0.918E+02 -.501E+02 -.305E+02 -.101E+03 0.594E+01 0.299E+01 0.928E+01 -.826E-03 -.779E-03 -.132E-02
0.955E+02 0.455E+02 0.594E+02 -.955E+02 -.471E+02 -.401E+02 0.584E-01 0.161E+01 -.192E+02 -.189E-02 0.726E-04 -.103E-02
0.358E+02 0.129E+03 0.619E+02 -.366E+02 -.131E+03 -.623E+02 0.787E+00 0.217E+01 0.388E+00 0.241E-03 0.238E-03 0.164E-02
0.169E+02 0.798E+02 0.564E+02 -.137E+02 -.698E+02 -.585E+02 -.328E+01 -.991E+01 0.204E+01 -.388E-03 0.347E-03 0.475E-03
0.102E+03 -.334E+02 -.772E+02 -.107E+03 0.303E+02 0.764E+02 0.420E+01 0.314E+01 0.874E+00 0.706E-03 -.226E-02 0.835E-03
-.572E+02 0.719E+02 0.325E+02 0.733E+02 -.703E+02 -.331E+02 -.161E+02 -.159E+01 0.662E+00 0.329E-03 -.166E-02 0.124E-02
0.102E+03 0.167E+02 -.128E+03 -.116E+03 -.214E+02 0.141E+03 0.133E+02 0.467E+01 -.131E+02 0.777E-03 -.216E-02 0.159E-03
-.215E+01 -.220E+02 -.462E+02 0.146E+01 0.242E+02 0.482E+02 0.673E+00 -.215E+01 -.207E+01 0.149E-02 -.209E-02 0.187E-02
0.509E+02 -.929E+02 -.400E+02 -.442E+02 0.934E+02 0.418E+02 -.659E+01 -.508E+00 -.177E+01 0.279E-02 -.115E-02 -.649E-04
0.151E+03 -.256E+02 -.455E+02 -.167E+03 0.271E+02 0.439E+02 0.166E+02 -.144E+01 0.152E+01 0.128E-03 -.186E-02 -.189E-02
-.126E+02 -.106E+03 -.105E+02 0.937E+01 0.104E+03 0.498E+01 0.325E+01 0.190E+01 0.548E+01 0.757E-03 -.212E-02 -.774E-03
-.809E+02 0.368E+02 0.119E+03 0.965E+02 -.438E+02 -.128E+03 -.156E+02 0.698E+01 0.902E+01 -.183E-03 0.892E-03 0.189E-02
0.386E+02 -.113E+03 0.491E+02 -.513E+02 0.121E+03 -.541E+02 0.127E+02 -.809E+01 0.500E+01 0.493E-03 0.319E-03 0.579E-03
0.568E+02 -.128E+03 -.115E+03 -.579E+02 0.137E+03 0.114E+03 0.113E+01 -.892E+01 0.494E+00 -.576E-03 0.339E-02 -.202E-02
-.218E+02 -.153E+03 0.587E+02 0.196E+02 0.160E+03 -.757E+02 0.211E+01 -.748E+01 0.170E+02 0.812E-03 0.150E-02 -.112E-02
0.248E+02 -.106E+03 -.766E+02 -.272E+02 0.115E+03 0.749E+02 0.231E+01 -.852E+01 0.169E+01 0.441E-04 -.246E-02 -.148E-02
-.551E+02 0.285E+02 -.187E+03 0.459E+02 -.183E+02 0.223E+03 0.929E+01 -.103E+02 -.357E+02 0.580E-03 0.428E-03 -.644E-03
0.279E+02 -.180E+02 -.516E+02 -.376E+02 0.186E+02 0.480E+02 0.968E+01 -.643E+00 0.362E+01 -.124E-02 0.215E-02 -.148E-02
-.485E+02 0.117E+03 -.310E+02 0.501E+02 -.119E+03 0.325E+02 -.164E+01 0.163E+01 -.144E+01 0.480E-03 -.104E-02 0.284E-02
-.455E+02 -.148E+02 -.195E+02 0.475E+02 0.243E+02 0.186E+02 -.205E+01 -.946E+01 0.935E+00 -.847E-04 -.572E-03 0.172E-02
0.213E+03 -.103E+03 -.131E+02 -.246E+03 0.943E+02 -.317E+01 0.333E+02 0.859E+01 0.162E+02 0.119E-02 0.700E-03 0.245E-02
-.169E+03 -.157E+03 -.418E+02 0.180E+03 0.189E+03 0.328E+02 -.105E+02 -.320E+02 0.905E+01 0.704E-03 -.160E-02 0.109E-02
-.101E+03 0.154E+03 -.591E+02 0.999E+02 -.168E+03 0.712E+02 0.953E+00 0.145E+02 -.120E+02 -.136E-02 0.511E-04 -.269E-02
-.280E+03 0.134E+03 0.107E+03 0.312E+03 -.142E+03 -.872E+02 -.314E+02 0.757E+01 -.194E+02 0.523E-03 -.209E-02 -.162E-02
-.895E+02 0.890E+02 0.168E+02 0.904E+02 -.777E+02 -.125E+02 -.907E+00 -.113E+02 -.431E+01 0.525E-04 0.147E-03 0.348E-03
-.427E+02 -.272E+02 0.830E+02 0.395E+02 0.373E+02 -.883E+02 0.320E+01 -.101E+02 0.529E+01 0.234E-03 0.204E-02 -.277E-02
0.301E+02 0.156E+03 -.640E+02 -.315E+02 -.182E+03 0.863E+02 0.141E+01 0.259E+02 -.222E+02 -.749E-03 0.173E-02 -.194E-02
-.327E+02 0.157E+03 0.370E+02 0.337E+02 -.166E+03 -.370E+02 -.104E+01 0.829E+01 -.440E-01 0.514E-03 -.108E-02 0.276E-02
0.642E+01 0.696E+02 0.979E+02 -.658E+01 -.671E+02 -.100E+03 0.144E+00 -.254E+01 0.216E+01 0.355E-03 -.992E-03 0.258E-02
-.660E+02 0.309E+03 0.114E+03 0.734E+02 -.334E+03 -.121E+03 -.742E+01 0.251E+02 0.761E+01 0.107E-02 -.128E-03 0.270E-02
-.466E+02 -.273E+02 0.733E+02 0.519E+02 0.326E+02 -.768E+02 -.522E+01 -.531E+01 0.354E+01 -.118E-03 -.229E-02 0.238E-02
-.953E+02 -.148E+03 -.569E+01 0.976E+02 0.163E+03 -.907E+00 -.232E+01 -.153E+02 0.662E+01 -.224E-02 -.120E-02 0.435E-03
-.950E+02 -.179E+02 -.122E+03 0.101E+03 0.239E+02 0.131E+03 -.622E+01 -.604E+01 -.849E+01 -.171E-02 -.214E-02 -.251E-03
-.576E+02 -.377E+02 0.325E+02 0.658E+02 0.429E+02 -.442E+02 -.818E+01 -.511E+01 0.117E+02 -.179E-02 -.211E-02 0.106E-02
-.332E+02 0.417E+02 -.789E+02 0.336E+02 -.400E+02 0.819E+02 -.359E+00 -.175E+01 -.303E+01 -.175E-02 0.326E-03 -.247E-02
0.210E+02 -.856E+02 -.945E+02 -.176E+02 0.104E+03 0.903E+02 -.342E+01 -.182E+02 0.414E+01 -.111E-02 -.775E-03 -.186E-02
-.175E+02 -.181E+01 -.147E+02 0.176E+02 0.202E+01 0.179E+02 -.130E+00 -.213E+00 -.324E+01 -.172E-03 -.781E-04 0.140E-03
-.325E+02 0.684E+01 0.996E+01 0.345E+02 -.792E+01 -.121E+02 -.206E+01 0.111E+01 0.220E+01 -.146E-03 -.123E-03 0.139E-03
0.921E+01 -.329E+02 -.134E+02 -.977E+01 0.356E+02 0.150E+02 0.581E+00 -.271E+01 -.156E+01 0.750E-04 -.122E-03 0.153E-03
-.755E+01 -.123E+02 -.638E+02 0.868E+01 0.103E+02 0.690E+02 -.110E+01 0.195E+01 -.519E+01 -.121E-03 0.539E-03 -.500E-03
-.305E+02 0.652E+01 0.896E+00 0.336E+02 -.705E+01 -.801E+00 -.313E+01 0.523E+00 -.841E-01 -.195E-05 0.203E-03 -.333E-03
0.540E+02 -.298E+02 -.123E+02 -.593E+02 0.318E+02 0.122E+02 0.532E+01 -.199E+01 0.311E-01 0.817E-03 -.942E-04 0.298E-03
0.144E+02 0.227E+02 -.367E+02 -.142E+02 -.253E+02 0.381E+02 -.202E+00 0.255E+01 -.143E+01 0.930E-04 -.245E-03 -.162E-04
0.274E+02 -.826E+01 -.376E+02 -.293E+02 0.998E+01 0.391E+02 0.190E+01 -.173E+01 -.153E+01 0.143E-03 -.292E-04 -.461E-04
-.195E+02 0.138E+02 0.324E+02 0.213E+02 -.151E+02 -.342E+02 -.188E+01 0.132E+01 0.190E+01 -.112E-03 0.170E-04 0.228E-03
-.573E+01 0.320E+02 0.234E+02 0.727E+01 -.343E+02 -.250E+02 -.157E+01 0.225E+01 0.157E+01 0.513E-04 0.446E-03 0.399E-03
0.856E+01 -.361E+02 -.269E+02 -.880E+01 0.379E+02 0.285E+02 0.264E+00 -.188E+01 -.160E+01 0.234E-03 -.213E-03 -.326E-03
-.218E+02 -.188E+02 0.175E+02 0.244E+02 0.196E+02 -.191E+02 -.265E+01 -.827E+00 0.165E+01 0.162E-03 -.372E-03 0.321E-03
0.139E+00 -.355E+01 0.164E+02 -.142E+01 0.322E+01 -.173E+02 0.126E+01 0.322E+00 0.867E+00 0.377E-04 -.190E-03 -.224E-04
-.155E+02 0.167E+02 -.304E+02 0.160E+02 -.193E+02 0.321E+02 -.465E+00 0.254E+01 -.171E+01 -.139E-03 0.169E-03 -.138E-03
-.202E+02 0.676E+01 -.250E+02 0.222E+02 -.831E+01 0.268E+02 -.196E+01 0.154E+01 -.179E+01 0.346E-04 -.247E-03 0.689E-03
-.266E+02 0.885E-01 -.257E+02 0.292E+02 0.321E+00 0.275E+02 -.257E+01 -.406E+00 -.176E+01 -.176E-03 0.139E-03 -.121E-03
-.355E+02 -.355E+02 -.527E+02 0.375E+02 0.390E+02 0.568E+02 -.201E+01 -.345E+01 -.404E+01 0.304E-03 0.413E-04 -.262E-04
-.521E+02 0.194E+02 0.396E+00 0.563E+02 -.225E+02 -.222E+01 -.422E+01 0.307E+01 0.186E+01 0.133E-03 0.651E-04 0.410E-04
0.138E+02 -.188E+01 -.150E+01 -.163E+02 0.360E+01 0.116E+01 0.241E+01 -.172E+01 0.324E+00 -.640E-04 -.130E-04 -.140E-03
0.201E+02 0.141E+01 -.138E+02 -.224E+02 -.213E+01 0.157E+02 0.234E+01 0.730E+00 -.188E+01 0.114E-03 0.132E-03 -.455E-04
0.198E+02 0.302E+02 -.175E+01 -.209E+02 -.328E+02 0.298E+01 0.114E+01 0.255E+01 -.124E+01 0.232E-04 -.636E-04 0.171E-03
0.594E+01 -.265E+02 -.356E+02 -.804E+01 0.287E+02 0.398E+02 0.213E+01 -.213E+01 -.426E+01 -.815E-05 -.146E-03 -.339E-04
-.581E+02 -.126E+02 -.239E+02 0.629E+02 0.137E+02 0.263E+02 -.471E+01 -.105E+01 -.229E+01 -.109E-04 -.241E-03 0.863E-05
0.347E+02 0.178E+02 -.998E+01 -.384E+02 -.200E+02 0.129E+02 0.375E+01 0.222E+01 -.300E+01 -.842E-04 0.948E-04 0.283E-03
0.214E+02 -.404E+02 0.350E+02 -.233E+02 0.445E+02 -.377E+02 0.197E+01 -.408E+01 0.270E+01 -.840E-04 0.423E-03 -.293E-03
-.994E+00 -.736E+02 -.113E+02 0.190E+01 0.788E+02 0.120E+02 -.897E+00 -.515E+01 -.623E+00 -.125E-03 0.290E-03 0.576E-04
0.278E+02 -.304E+02 0.132E+02 -.318E+02 0.337E+02 -.149E+02 0.392E+01 -.320E+01 0.168E+01 -.161E-03 0.154E-03 -.257E-03
0.126E+02 0.520E+02 0.687E+01 -.143E+02 -.569E+02 -.627E+01 0.165E+01 0.492E+01 -.596E+00 0.201E-04 -.748E-04 0.341E-03
0.207E+02 -.560E+02 0.150E+02 -.235E+02 0.595E+02 -.179E+02 0.270E+01 -.354E+01 0.281E+01 -.283E-03 -.253E-04 0.445E-03
0.608E+02 0.177E+02 0.118E+02 -.659E+02 -.187E+02 -.111E+02 0.510E+01 0.965E+00 -.743E+00 -.174E-04 -.218E-03 -.325E-03
0.414E+02 0.231E+02 0.511E+02 -.443E+02 -.255E+02 -.547E+02 0.286E+01 0.242E+01 0.349E+01 -.292E-03 0.265E-03 0.245E-03
-.490E+02 0.963E+01 0.427E+02 0.528E+02 -.111E+02 -.459E+02 -.383E+01 0.150E+01 0.327E+01 -.336E-04 0.270E-03 -.637E-03
0.124E+02 -.235E+02 -.345E+02 -.152E+02 0.261E+02 0.380E+02 0.280E+01 -.265E+01 -.357E+01 -.939E-04 0.196E-03 0.129E-05
-.357E+02 -.738E+01 -.288E+02 0.409E+02 0.770E+01 0.301E+02 -.515E+01 -.312E+00 -.124E+01 0.490E-03 -.445E-03 0.236E-03
0.171E+02 0.660E+02 -.328E+02 -.190E+02 -.701E+02 0.353E+02 0.197E+01 0.413E+01 -.253E+01 -.102E-03 -.632E-03 0.367E-04
0.730E+01 0.464E+02 -.640E+01 -.697E+01 -.515E+02 0.710E+01 -.331E+00 0.512E+01 -.709E+00 0.394E-03 -.155E-03 -.336E-03
-.305E+02 -.165E+02 0.529E+02 0.317E+02 0.182E+02 -.576E+02 -.129E+01 -.168E+01 0.477E+01 -.234E-03 0.606E-04 0.911E-04
-.115E+01 -.520E+02 0.443E+02 0.116E+00 0.546E+02 -.488E+02 0.101E+01 -.254E+01 0.447E+01 0.142E-03 -.584E-05 -.207E-03
0.152E+02 -.444E+02 -.560E+01 -.156E+02 0.492E+02 0.310E+01 0.376E+00 -.476E+01 0.250E+01 -.251E-03 -.274E-04 -.313E-04
-.517E+02 0.206E+02 -.685E+01 0.568E+02 -.222E+02 0.741E+01 -.505E+01 0.164E+01 -.536E+00 0.465E-04 0.265E-04 0.599E-04
0.739E+01 -.709E+02 -.174E+02 -.714E+01 0.760E+02 0.179E+02 -.246E+00 -.511E+01 -.510E+00 -.272E-03 -.792E-05 -.788E-04
-.433E+01 0.497E+02 0.317E+01 0.586E+01 -.547E+02 -.395E+01 -.153E+01 0.493E+01 0.792E+00 0.432E-04 -.720E-04 -.116E-04
0.347E+02 0.565E+02 0.268E+02 -.369E+02 -.602E+02 -.297E+02 0.217E+01 0.376E+01 0.289E+01 -.132E-03 0.103E-03 0.283E-03
-.148E+02 0.381E+02 -.277E+02 0.174E+02 -.426E+02 0.284E+02 -.259E+01 0.451E+01 -.610E+00 -.407E-03 0.589E-03 -.137E-03
-.460E+02 0.179E+02 0.376E+02 0.505E+02 -.196E+02 -.395E+02 -.459E+01 0.164E+01 0.186E+01 0.190E-03 0.128E-04 -.296E-05
-.128E+02 0.446E+02 0.164E+01 0.124E+02 -.500E+02 -.192E+01 0.342E+00 0.540E+01 0.283E+00 0.327E-04 -.716E-04 -.139E-03
0.456E+01 -.618E+02 0.155E+02 -.495E+01 0.668E+02 -.173E+02 0.381E+00 -.496E+01 0.182E+01 0.110E-03 0.398E-03 -.606E-04
-.352E+02 0.740E+01 0.392E+02 0.384E+02 -.830E+01 -.430E+02 -.324E+01 0.907E+00 0.388E+01 0.133E-03 0.160E-03 -.146E-03
0.396E+02 0.135E+02 0.352E+02 -.432E+02 -.162E+02 -.381E+02 0.354E+01 0.259E+01 0.291E+01 -.204E-04 -.361E-03 0.227E-03
-.312E+02 0.274E+02 -.292E+02 0.337E+02 -.298E+02 0.332E+02 -.241E+01 0.236E+01 -.395E+01 0.226E-04 0.251E-03 -.319E-03
0.181E+01 -.314E+02 0.370E+02 -.285E+01 0.340E+02 -.417E+02 0.102E+01 -.259E+01 0.463E+01 -.962E-04 -.263E-03 -.153E-03
0.427E+02 0.297E+02 0.194E+02 -.479E+02 -.306E+02 -.194E+02 0.522E+01 0.853E+00 0.833E-02 0.405E-03 0.489E-03 -.228E-03
0.812E+01 0.339E+02 0.282E+02 -.911E+01 -.367E+02 -.327E+02 0.963E+00 0.281E+01 0.446E+01 -.373E-03 0.283E-03 -.515E-03
0.221E+02 -.423E+02 0.355E+01 -.242E+02 0.468E+02 -.150E+01 0.214E+01 -.449E+01 -.207E+01 0.871E-04 0.362E-04 0.222E-03
0.155E+02 0.380E+02 -.434E+02 -.166E+02 -.416E+02 0.471E+02 0.116E+01 0.362E+01 -.369E+01 -.213E-03 -.221E-04 -.355E-03
-.450E+02 0.399E+02 0.319E+02 0.464E+02 -.439E+02 -.352E+02 -.146E+01 0.397E+01 0.333E+01 -.275E-03 -.622E-03 -.321E-03
-.582E+02 -.307E+02 0.548E+01 0.629E+02 0.329E+02 -.557E+01 -.470E+01 -.215E+01 0.113E+00 0.645E-04 -.210E-03 0.703E-04
-.183E+02 -.178E+02 0.454E+02 0.190E+02 0.189E+02 -.506E+02 -.806E+00 -.110E+01 0.516E+01 -.142E-03 -.949E-04 -.133E-03
0.364E+02 -.285E+01 0.639E+02 -.388E+02 0.378E+01 -.686E+02 0.239E+01 -.927E+00 0.462E+01 0.148E-03 0.392E-04 0.379E-03
-.245E+02 -.265E+02 -.317E+02 0.279E+02 0.287E+02 0.352E+02 -.335E+01 -.223E+01 -.342E+01 0.163E-03 0.274E-03 -.115E-03
0.350E+02 -.174E+02 0.345E+02 -.378E+02 0.171E+02 -.390E+02 0.280E+01 0.352E+00 0.440E+01 -.229E-03 0.120E-03 -.351E-03
0.176E+02 0.250E+02 -.344E+02 -.199E+02 -.277E+02 0.382E+02 0.238E+01 0.271E+01 -.382E+01 -.545E-04 -.939E-04 0.198E-03
-.121E+02 0.569E+01 0.491E+02 0.145E+02 -.571E+01 -.537E+02 -.238E+01 0.223E-01 0.464E+01 0.493E-03 0.260E-03 -.355E-03
-.177E+02 -.548E+02 -.538E+02 0.196E+02 0.576E+02 0.579E+02 -.184E+01 -.282E+01 -.406E+01 -.513E-03 0.110E-03 0.263E-03
0.175E+02 -.276E+01 0.579E+02 -.171E+02 0.447E+01 -.629E+02 -.465E+00 -.171E+01 0.499E+01 -.802E-04 -.306E-03 -.306E-04
-.242E+02 0.459E+02 0.315E+01 0.276E+02 -.498E+02 -.186E+01 -.338E+01 0.383E+01 -.127E+01 -.637E-04 0.401E-03 0.382E-03
-.279E+02 -.422E+02 0.653E+01 0.284E+02 0.474E+02 -.623E+01 -.419E+00 -.525E+01 -.295E+00 -.726E-04 0.190E-03 -.626E-03
-.556E+02 -.756E+01 -.197E+02 0.606E+02 0.845E+01 0.212E+02 -.492E+01 -.894E+00 -.151E+01 0.409E-03 0.118E-03 -.170E-03
0.271E+02 -.294E+02 -.541E+02 -.293E+02 0.325E+02 0.575E+02 0.222E+01 -.309E+01 -.344E+01 0.233E-03 -.252E-03 0.154E-03
-.180E+02 0.452E+02 0.258E+02 0.201E+02 -.473E+02 -.301E+02 -.213E+01 0.210E+01 0.437E+01 0.117E-04 -.449E-03 -.217E-03
-.314E+02 -.258E+02 -.403E+02 0.346E+02 0.276E+02 0.441E+02 -.314E+01 -.182E+01 -.378E+01 0.471E-03 -.525E-04 -.121E-03
-.574E+02 0.629E+01 -.128E+02 0.621E+02 -.744E+01 0.150E+02 -.466E+01 0.114E+01 -.216E+01 0.507E-04 -.565E-04 0.251E-03
-.199E+02 -.563E+02 -.220E+02 0.211E+02 0.601E+02 0.254E+02 -.118E+01 -.379E+01 -.345E+01 0.283E-03 0.994E-04 0.305E-04
-.353E+01 -.109E+02 -.650E+02 0.523E+01 0.118E+02 0.700E+02 -.165E+01 -.942E+00 -.497E+01 -.158E-03 -.116E-03 -.257E-04
0.261E+02 0.265E+02 -.380E+02 -.286E+02 -.294E+02 0.416E+02 0.257E+01 0.292E+01 -.360E+01 0.179E-04 0.345E-04 0.295E-04
0.313E+02 -.135E+02 -.513E+02 -.337E+02 0.121E+02 0.555E+02 0.245E+01 0.139E+01 -.430E+01 -.385E-03 -.932E-04 -.204E-04
-.312E+02 -.189E+02 0.349E+02 0.350E+02 0.214E+02 -.375E+02 -.376E+01 -.256E+01 0.268E+01 0.266E-04 0.528E-03 0.305E-05
0.579E+02 0.760E+01 -.230E+02 -.619E+02 -.504E+01 0.250E+02 0.408E+01 -.258E+01 -.201E+01 -.418E-04 -.119E-03 0.228E-03
0.438E+02 -.252E+01 0.267E+02 -.464E+02 0.168E+01 -.311E+02 0.257E+01 0.834E+00 0.436E+01 0.332E-03 0.483E-04 0.521E-03
0.289E+02 0.368E+02 0.237E+02 -.323E+02 -.406E+02 -.250E+02 0.339E+01 0.375E+01 0.132E+01 0.486E-04 0.488E-04 -.187E-04
-.549E+02 -.690E+01 0.151E+02 0.597E+02 0.795E+01 -.167E+02 -.486E+01 -.105E+01 0.162E+01 -.309E-04 -.123E-03 -.134E-04
-.225E+02 -.208E+02 -.436E+02 0.247E+02 0.216E+02 0.484E+02 -.214E+01 -.802E+00 -.471E+01 0.134E-04 0.206E-03 0.126E-03
-.571E+01 -.602E+02 -.154E+01 0.540E+01 0.654E+02 0.162E+01 0.315E+00 -.523E+01 -.894E-01 -.331E-04 0.377E-03 -.383E-04
0.299E+02 -.209E+02 -.305E+02 -.327E+02 0.226E+02 0.345E+02 0.286E+01 -.167E+01 -.405E+01 -.510E-05 -.147E-03 0.493E-03
0.372E+02 0.131E+02 -.239E+01 -.421E+02 -.147E+02 0.283E+01 0.488E+01 0.162E+01 -.467E+00 0.176E-03 0.247E-03 -.344E-03
0.143E+02 0.338E+02 0.551E+01 -.161E+02 -.387E+02 -.646E+01 0.178E+01 0.486E+01 0.935E+00 -.183E-03 -.434E-03 -.160E-03
-.226E+02 0.336E+02 0.597E+02 0.243E+02 -.354E+02 -.643E+02 -.167E+01 0.184E+01 0.464E+01 0.368E-03 0.385E-03 -.196E-03
0.508E+02 -.159E+02 -.305E+02 -.554E+02 0.179E+02 0.318E+02 0.466E+01 -.198E+01 -.126E+01 -.509E-03 0.178E-03 -.469E-03
-.395E+02 -.170E+02 0.406E+02 0.437E+02 0.184E+02 -.434E+02 -.425E+01 -.141E+01 0.288E+01 0.234E-03 0.711E-04 0.691E-04
-.483E+02 -.619E+01 -.198E+02 0.535E+02 0.705E+01 0.207E+02 -.512E+01 -.846E+00 -.811E+00 -.502E-04 0.607E-04 -.400E-03
-.695E+02 -.611E+01 -.192E+02 0.741E+02 0.752E+01 0.214E+02 -.460E+01 -.140E+01 -.218E+01 -.197E-03 -.216E-03 0.229E-04
0.221E+02 -.124E+02 -.341E+02 -.236E+02 0.125E+02 0.393E+02 0.147E+01 -.141E+00 -.527E+01 -.897E-04 0.810E-04 -.200E-03
-.210E+02 0.342E+02 0.198E+02 0.240E+02 -.388E+02 -.205E+02 -.293E+01 0.460E+01 0.661E+00 -.835E-04 0.703E-04 -.152E-03
-.258E+02 -.304E+02 0.723E+01 0.292E+02 0.346E+02 -.803E+01 -.348E+01 -.417E+01 0.818E+00 -.337E-04 0.880E-04 -.155E-03
0.909E+01 -.436E+02 -.444E+02 -.860E+01 0.486E+02 0.464E+02 -.489E+00 -.496E+01 -.204E+01 0.225E-03 -.204E-04 -.515E-04
0.533E+02 -.117E+01 0.498E+00 -.583E+02 0.705E+00 -.285E+01 0.492E+01 0.457E+00 0.231E+01 0.756E-04 0.225E-04 0.541E-04
0.178E+01 0.309E+02 -.604E+02 -.153E+01 -.344E+02 0.645E+02 -.232E+00 0.353E+01 -.410E+01 0.195E-03 -.444E-04 0.799E-04
0.157E+02 -.170E+02 -.437E+02 -.162E+02 0.202E+02 0.481E+02 0.477E+00 -.323E+01 -.438E+01 0.302E-03 0.410E-03 -.326E-03
0.514E+02 -.212E+01 0.205E+02 -.560E+02 0.237E+01 -.235E+02 0.452E+01 -.238E+00 0.292E+01 -.290E-04 0.309E-03 -.448E-03
0.863E+01 0.478E+02 -.331E+02 -.803E+01 -.528E+02 0.349E+02 -.592E+00 0.497E+01 -.177E+01 0.270E-03 -.109E-04 -.275E-03
0.734E+01 0.364E+02 -.240E+02 -.508E+01 -.408E+02 0.264E+02 -.223E+01 0.443E+01 -.238E+01 0.385E-03 0.367E-03 -.187E-03
0.191E+02 -.244E+02 -.335E+02 -.179E+02 0.288E+02 0.369E+02 -.111E+01 -.445E+01 -.335E+01 0.514E-03 0.192E-03 -.169E-03
0.666E+02 0.100E+02 -.223E+01 -.717E+02 -.108E+02 0.212E+01 0.512E+01 0.801E+00 0.838E-01 0.317E-03 0.224E-03 -.363E-03
0.368E+02 -.179E+02 0.346E+02 -.419E+02 0.199E+02 -.356E+02 0.507E+01 -.206E+01 0.969E+00 0.156E-03 -.817E-04 0.738E-04
-.164E+02 -.351E+02 0.923E+01 0.199E+02 0.394E+02 -.842E+01 -.343E+01 -.429E+01 -.796E+00 0.105E-03 -.118E-03 -.769E-04
0.495E+00 0.264E+02 0.566E+02 0.927E+00 -.289E+02 -.610E+02 -.145E+01 0.251E+01 0.446E+01 0.155E-03 0.504E-04 0.113E-03
0.442E+02 -.209E+02 0.112E+02 -.486E+02 0.241E+02 -.127E+02 0.436E+01 -.312E+01 0.151E+01 0.869E-04 0.274E-04 0.399E-04
0.895E+01 -.117E+02 -.362E+02 -.896E+01 0.114E+02 0.418E+02 0.326E-01 0.359E+00 -.555E+01 -.280E-04 -.180E-03 0.887E-04
-.361E+02 -.231E+02 0.119E+02 0.404E+02 0.260E+02 -.133E+02 -.434E+01 -.295E+01 0.139E+01 -.318E-04 0.277E-04 -.620E-04
0.239E+02 0.365E+02 0.675E+00 -.274E+02 -.406E+02 0.821E+00 0.351E+01 0.408E+01 -.151E+01 0.111E-03 0.398E-03 -.475E-04
0.296E+01 0.146E+02 0.435E+02 -.228E+01 -.145E+02 -.489E+02 -.700E+00 -.104E+00 0.536E+01 0.190E-04 0.390E-03 0.163E-03
-.448E+02 0.222E+02 -.175E+02 0.496E+02 -.237E+02 0.195E+02 -.475E+01 0.151E+01 -.195E+01 -.238E-03 0.468E-03 -.121E-03
0.163E+02 0.322E+02 0.151E+02 -.171E+02 -.370E+02 -.168E+02 0.765E+00 0.474E+01 0.169E+01 0.706E-04 -.381E-03 -.301E-03
0.401E+02 -.335E+02 0.325E+02 -.435E+02 0.368E+02 -.355E+02 0.343E+01 -.326E+01 0.297E+01 0.734E-05 -.206E-03 -.112E-04
-.259E+02 -.153E+02 0.224E+02 0.311E+02 0.166E+02 -.237E+02 -.527E+01 -.131E+01 0.130E+01 -.399E-04 -.294E-03 -.207E-03
-.137E+02 0.292E+02 0.246E+02 0.168E+02 -.333E+02 -.265E+02 -.311E+01 0.413E+01 0.193E+01 0.164E-03 -.224E-03 0.674E-04
-.501E+01 -.248E+01 -.346E+02 0.564E+01 0.226E+01 0.401E+02 -.603E+00 0.224E+00 -.540E+01 -.471E-04 -.208E-03 0.166E-03
0.460E+02 0.702E+01 0.290E+02 -.511E+02 -.822E+01 -.301E+02 0.513E+01 0.120E+01 0.106E+01 0.461E-05 -.147E-03 0.177E-03
0.372E+02 0.571E+01 -.212E+02 -.412E+02 -.723E+01 0.242E+02 0.412E+01 0.153E+01 -.306E+01 -.171E-04 -.139E-03 0.285E-03
-.195E+02 -.364E+02 -.315E+02 0.222E+02 0.405E+02 0.341E+02 -.274E+01 -.414E+01 -.258E+01 0.144E-03 -.641E-04 0.262E-03
0.240E+02 -.900E+01 0.286E+02 -.263E+02 0.113E+02 -.333E+02 0.222E+01 -.230E+01 0.464E+01 0.436E-04 -.106E-03 0.153E-04
-.580E+02 0.227E+01 -.445E+01 0.633E+02 -.372E+01 0.432E+01 -.530E+01 0.145E+01 0.155E+00 -.220E-03 -.100E-04 -.508E-04
0.928E+01 0.212E+02 -.226E+02 -.125E+02 -.259E+02 0.228E+02 0.321E+01 0.465E+01 -.240E+00 -.214E-03 0.618E-05 -.254E-03
-.381E+01 -.182E+02 -.577E+02 0.306E+01 0.205E+02 0.623E+02 0.762E+00 -.232E+01 -.461E+01 -.914E-04 -.578E-05 -.232E-03
-.491E+02 0.111E+02 -.160E+00 0.537E+02 -.139E+02 -.746E+00 -.454E+01 0.277E+01 0.929E+00 -.584E-04 -.194E-03 0.303E-04
-.170E+02 -.347E+02 -.507E+02 0.175E+02 0.370E+02 0.555E+02 -.436E+00 -.235E+01 -.478E+01 0.844E-05 -.131E-03 -.490E-05
0.212E+02 0.214E+02 -.552E+01 -.255E+02 -.247E+02 0.578E+01 0.430E+01 0.335E+01 -.283E+00 -.963E-04 -.350E-03 0.510E-04
-.161E+02 -.433E+02 -.458E+01 0.180E+02 0.480E+02 0.657E+01 -.189E+01 -.471E+01 -.198E+01 0.185E-04 0.200E-04 0.646E-03
-.407E+02 0.227E+02 0.435E+02 0.447E+02 -.252E+02 -.460E+02 -.407E+01 0.246E+01 0.247E+01 -.234E-04 -.167E-04 0.526E-03
0.286E+02 -.114E+02 0.394E+02 -.325E+02 0.126E+02 -.432E+02 0.377E+01 -.118E+01 0.372E+01 -.102E-03 -.354E-04 0.378E-03
0.361E+02 -.945E+01 0.252E+02 -.393E+02 0.120E+02 -.289E+02 0.313E+01 -.250E+01 0.370E+01 0.426E-04 0.166E-04 0.177E-03
0.897E+01 0.401E+02 0.129E+02 -.824E+01 -.452E+02 -.146E+02 -.735E+00 0.512E+01 0.166E+01 0.178E-03 -.179E-03 0.389E-03
0.360E+02 0.964E+01 -.464E+02 -.389E+02 -.994E+01 0.508E+02 0.291E+01 0.306E+00 -.451E+01 0.196E-03 -.115E-03 0.540E-03
0.846E+01 -.406E+02 0.302E+02 -.701E+01 0.452E+02 -.329E+02 -.147E+01 -.465E+01 0.270E+01 0.843E-04 -.386E-03 0.467E-03
0.398E+02 0.332E+02 0.436E+02 -.432E+02 -.359E+02 -.470E+02 0.332E+01 0.262E+01 0.334E+01 0.188E-03 -.502E-04 0.474E-03
0.340E+02 -.170E+02 -.137E+02 -.371E+02 0.184E+02 0.180E+02 0.320E+01 -.148E+01 -.437E+01 0.165E-03 -.260E-03 0.349E-03
-.252E+02 -.357E+02 0.106E+02 0.274E+02 0.401E+02 -.127E+02 -.228E+01 -.433E+01 0.219E+01 -.258E-04 0.294E-03 -.268E-03
-.280E+02 0.263E+02 -.378E+01 0.320E+02 -.299E+02 0.488E+01 -.400E+01 0.356E+01 -.108E+01 0.378E-04 -.302E-04 0.738E-04
0.181E+02 0.289E+02 0.213E+02 -.213E+02 -.313E+02 -.252E+02 0.319E+01 0.241E+01 0.381E+01 -.272E-03 0.952E-04 -.347E-03
-.270E+02 0.290E+02 -.255E+02 0.298E+02 -.333E+02 0.276E+02 -.270E+01 0.426E+01 -.208E+01 -.155E-03 -.455E-03 0.110E-03
-.400E+01 -.431E+02 -.336E+02 0.478E+01 0.473E+02 0.369E+02 -.765E+00 -.414E+01 -.328E+01 -.140E-03 -.267E-03 0.177E-03
0.342E+02 -.357E+01 -.309E+01 -.398E+02 0.229E+01 0.337E+01 0.561E+01 0.128E+01 -.301E+00 -.116E-03 -.417E-03 0.213E-03
0.428E+02 0.301E+02 0.157E+02 -.476E+02 -.317E+02 -.181E+02 0.478E+01 0.159E+01 0.228E+01 -.117E-03 -.440E-04 0.403E-03
-.346E+02 0.279E+02 0.279E+02 0.386E+02 -.297E+02 -.310E+02 -.403E+01 0.181E+01 0.319E+01 -.146E-03 0.872E-04 0.154E-03
0.598E+01 0.472E+02 -.481E+02 -.563E+01 -.496E+02 0.529E+02 -.339E+00 0.248E+01 -.473E+01 -.349E-03 0.178E-04 0.264E-03
-.535E+02 -.840E+01 -.297E+02 0.586E+02 0.771E+01 0.315E+02 -.508E+01 0.687E+00 -.179E+01 0.136E-03 0.296E-04 0.197E-04
0.352E+01 -.532E+02 0.143E+02 -.372E+01 0.581E+02 -.166E+02 0.188E+00 -.486E+01 0.231E+01 -.352E-04 0.140E-03 0.276E-04
0.298E+02 -.137E+02 -.448E+02 -.329E+02 0.138E+02 0.491E+02 0.312E+01 -.114E+00 -.437E+01 -.221E-03 0.107E-03 0.188E-03
-.157E+02 0.203E+02 -.437E+02 0.162E+02 -.232E+02 0.483E+02 -.487E+00 0.290E+01 -.461E+01 0.335E-05 -.437E-04 -.121E-03
-.525E+02 0.310E+01 0.955E+01 0.572E+02 -.318E+01 -.119E+02 -.476E+01 0.723E-01 0.240E+01 0.104E-03 -.157E-04 -.307E-03
0.897E+01 -.455E+02 -.188E+02 -.103E+02 0.504E+02 0.201E+02 0.138E+01 -.499E+01 -.136E+01 0.147E-04 0.103E-03 -.122E-03
0.108E+02 -.221E+02 -.430E+02 -.111E+02 0.231E+02 0.483E+02 0.404E+00 -.946E+00 -.540E+01 0.142E-03 0.196E-03 0.972E-04
0.100E+02 -.532E+02 0.196E+02 -.104E+02 0.581E+02 -.219E+02 0.380E+00 -.491E+01 0.232E+01 0.958E-04 0.313E-04 0.242E-03
0.345E+02 0.185E+02 0.168E+02 -.388E+02 -.214E+02 -.183E+02 0.426E+01 0.292E+01 0.150E+01 0.354E-04 0.103E-03 0.693E-04
0.234E+02 -.576E+02 -.648E+02 -.219E+02 0.621E+02 0.713E+02 -.146E+01 -.447E+01 -.641E+01 0.389E-03 0.266E-03 0.555E-03
0.801E+01 0.237E+02 -.406E+02 -.117E+02 -.270E+02 0.430E+02 0.376E+01 0.332E+01 -.238E+01 0.129E-03 0.106E-04 -.203E-03
-.339E+02 -.595E+02 -.102E+02 0.373E+02 0.637E+02 0.910E+01 -.342E+01 -.427E+01 0.115E+01 -.377E-03 -.402E-03 0.449E-03
-.225E+02 -.281E+01 0.908E+02 0.213E+02 0.550E+01 -.986E+02 0.113E+01 -.268E+01 0.778E+01 0.987E-04 -.576E-03 0.405E-03
0.221E+01 0.102E+03 0.408E+02 -.235E+01 -.110E+03 -.442E+02 0.146E+00 0.759E+01 0.335E+01 -.680E-04 0.293E-03 -.554E-04
-.292E+02 0.484E+02 0.635E+02 0.317E+02 -.525E+02 -.701E+02 -.259E+01 0.407E+01 0.667E+01 -.292E-03 0.632E-04 -.380E-03
-.576E+02 0.476E+02 0.106E+02 0.638E+02 -.519E+02 -.131E+02 -.621E+01 0.435E+01 0.259E+01 0.268E-03 -.769E-04 -.203E-03
0.372E+02 -.317E+02 0.120E+02 -.411E+02 0.359E+02 -.116E+02 0.387E+01 -.414E+01 -.402E+00 -.269E-03 0.515E-03 -.731E-04
-.206E+02 -.296E+01 0.600E+02 0.236E+02 0.384E+01 -.644E+02 -.307E+01 -.893E+00 0.444E+01 0.171E-03 0.339E-03 -.237E-03
0.188E+02 0.429E+02 0.999E+01 -.216E+02 -.478E+02 -.110E+02 0.282E+01 0.498E+01 0.103E+01 -.116E-03 0.592E-04 -.660E-04
-----------------------------------------------------------------------------------------------
-.155E+02 0.155E+02 0.290E+02 -.547E-12 0.100E-11 0.184E-11 0.155E+02 -.156E+02 -.289E+02 -.111E-01 0.971E-02 -.106E-01
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.63992 1.48196 17.06713 0.078972 -0.000706 -0.015534
4.49545 1.47389 6.57940 -0.073903 0.041389 -0.015327
16.87426 4.72591 0.64239 0.022319 -0.018426 -0.016894
5.32283 4.12213 5.03981 -0.042651 0.000919 -0.064845
1.67882 1.81388 9.00238 0.089801 0.025747 0.026474
4.78684 1.79517 13.44421 -0.126542 0.009796 0.004435
1.61226 4.66884 10.60878 -0.114358 0.017702 -0.030096
4.59716 4.61593 11.98045 0.050692 -0.003202 -0.036891
0.26165 7.88803 17.00170 -0.001914 -0.010098 0.038304
4.32992 7.13244 6.13928 -0.040238 0.009524 0.006805
1.15925 10.23150 2.22740 -0.020381 0.027775 0.047828
4.19912 9.48910 3.74743 0.101292 0.025529 -0.009427
1.45880 6.44628 7.93452 0.010979 0.077767 0.009551
4.91753 6.83546 14.41545 -0.062311 -0.008898 0.022056
5.04348 9.97622 13.84623 0.018634 -0.008862 0.021124
1.38399 13.25095 0.04817 0.039913 -0.003221 0.007616
4.47462 13.77485 7.04319 -0.076709 -0.008405 0.017284
1.68132 15.88372 2.19113 -0.053773 -0.013416 0.006613
4.12289 15.98144 4.64085 0.087003 0.014350 0.018432
1.45608 14.59301 7.97453 0.025986 0.021847 0.032263
4.39616 13.02181 14.77771 -0.058942 0.023900 -0.030418
1.58408 16.18397 10.72062 -0.072344 0.042741 0.061341
4.61703 15.86223 12.36387 0.076199 0.008890 -0.017283
6.86473 2.10416 15.68211 0.034479 0.036227 0.062477
9.96698 1.59602 6.51511 -0.075826 -0.024130 0.029537
7.05428 5.23310 2.92500 -0.069283 -0.004228 0.027883
9.73793 4.05870 4.25214 0.085992 -0.042864 0.017052
7.24970 1.45434 8.41429 0.111820 0.005159 -0.001730
9.84018 2.04098 14.59889 -0.060212 0.043815 -0.023605
7.49681 4.33728 9.97632 -0.073905 0.042944 -0.051016
9.77322 4.37585 12.41443 0.010583 0.058075 0.065380
7.22621 7.00120 0.30969 0.034947 -0.008548 0.006234
9.97426 7.34624 5.63372 -0.128873 -0.030114 -0.012195
6.98502 9.88774 1.99945 -0.104367 -0.023154 0.014724
9.73413 10.17000 3.86426 0.102156 0.013679 -0.012698
7.63156 6.85579 7.88133 0.048895 -0.001547 -0.064143
7.61144 11.17306 11.30154 -0.054395 -0.066942 -0.034152
10.23807 11.37035 12.84099 0.104868 -0.052027 -0.048768
7.14781 12.18774 16.59012 0.033917 -0.007407 0.009671
10.22987 13.24454 6.56217 -0.059080 -0.000766 0.013639
7.10880 15.96811 3.31311 -0.175266 0.004065 -0.084913
9.97842 15.98228 4.67350 0.061571 -0.002540 -0.052566
7.45073 13.64098 8.60021 0.060879 -0.037361 -0.008666
10.19514 13.78718 14.74945 -0.066465 -0.065023 -0.027513
7.33307 16.13875 10.58666 -0.117307 -0.058022 -0.040641
9.55355 16.50548 12.99530 0.094306 0.040468 0.045039
12.29708 1.15356 16.68803 0.048541 -0.088487 0.026056
15.95104 1.31247 7.49019 -0.071741 -0.002785 0.015981
14.06824 3.25485 1.45194 -0.005652 0.077262 0.039594
15.37466 2.99032 4.61534 -0.044383 0.011429 0.009746
12.89313 1.79930 8.93246 0.028324 0.008211 0.005372
15.41835 0.15136 15.54040 -0.017060 -0.025966 -0.052561
12.99787 3.86861 11.40355 -0.014171 0.017795 0.019768
15.86973 5.01664 12.22954 0.093734 0.027128 0.008503
13.22447 8.02158 16.93236 -0.004270 0.093814 -0.082028
16.98450 5.51851 5.53662 -0.086196 0.063416 -0.047464
12.13289 10.55515 1.50708 -0.076215 -0.037794 0.023020
16.78448 10.30187 5.12134 0.020412 0.058957 -0.055296
15.25927 8.17050 14.35519 -0.063221 -0.018170 0.038364
12.33302 12.13961 11.06720 -0.057863 -0.032298 -0.066556
14.89832 11.26779 12.90009 0.098675 -0.020748 -0.047332
12.58923 13.57243 16.79863 0.075677 -0.033436 0.039654
16.02066 13.07286 6.75917 -0.083376 -0.044938 0.017310
11.94882 16.26116 1.98821 -0.051500 -0.035929 0.001201
14.34965 13.41590 4.27370 0.002620 -0.042828 -0.074493
13.15701 13.25468 8.45787 0.076904 -0.040988 -0.005433
15.62811 13.28047 15.23575 -0.063336 0.040182 0.001835
13.61244 15.77171 10.64846 -0.055343 -0.021272 0.034256
16.15556 15.95208 12.69851 0.092209 0.016913 0.034514
1.36652 0.57066 1.55154 -0.012967 0.008931 0.035982
0.90837 3.41851 0.01267 -0.050631 0.006618 -0.026966
4.02408 5.43116 5.36738 -0.012628 -0.044119 0.067155
3.20729 2.14685 7.86474 -0.030806 -0.058396 -0.025509
5.79476 5.02196 10.56962 0.032969 -0.017225 0.072300
17.04629 9.11864 1.21202 -0.009077 -0.062695 0.020924
2.77767 9.21207 2.48750 0.002151 -0.013534 -0.064247
2.81245 7.56917 7.26174 0.016786 -0.071940 -0.030550
17.11988 8.39278 9.14086 0.028962 0.012565 -0.036964
3.95754 11.55738 13.54810 -0.020913 0.004533 -0.025421
6.41734 10.12147 12.42877 0.012853 0.048876 0.024766
16.91665 8.50732 15.23458 0.063090 -0.002559 -0.032559
1.45022 12.03100 1.55306 -0.055945 0.011098 0.020471
4.79094 14.80696 13.98914 -0.045443 0.016749 0.023945
3.11887 15.33222 11.36266 0.004126 -0.055482 -0.026303
3.01102 12.98256 16.24226 -0.054568 -0.016747 -0.041084
10.48154 5.76083 4.69179 -0.039297 0.028741 -0.035369
11.49725 4.95881 11.70294 -0.013660 -0.043763 0.011458
8.52633 2.92251 15.57949 0.019033 -0.034716 -0.065134
10.14692 11.45864 5.54356 -0.044284 -0.018027 0.022224
5.80575 7.27820 7.38609 -0.031503 -0.005663 0.047358
6.47147 6.75216 15.62050 0.042746 0.010675 -0.030127
6.87579 12.26209 9.84943 -0.016700 0.052422 0.019151
8.78686 12.88154 15.53023 0.057311 0.036805 0.020721
15.83921 1.43937 5.57702 0.053295 -0.004288 -0.009988
15.29153 2.54543 2.69850 0.057807 -0.002840 0.005575
14.65630 2.32135 8.39039 -0.034972 -0.028961 -0.044124
11.64177 2.01766 7.39499 0.049779 -0.006974 -0.046297
12.68830 0.12857 9.88236 0.000534 0.061830 0.070572
15.37261 6.33482 13.64004 -0.035509 0.020338 -0.032336
13.54373 0.37024 15.51513 -0.019814 0.009124 0.038302
11.75172 6.99071 7.66583 0.016364 -0.073461 0.015548
14.65645 9.39865 13.02303 0.006389 0.001354 -0.040357
11.79533 11.93582 0.23294 -0.017659 0.032478 0.015438
15.58564 14.26971 5.41554 0.052877 0.064239 -0.001495
12.64695 14.64804 1.25202 -0.035348 -0.016113 0.013371
16.37330 14.38486 13.79132 -0.044235 -0.034455 -0.037122
6.79689 4.16516 6.13455 0.056089 0.001828 0.076210
3.44485 2.11613 14.68137 0.088863 -0.001461 -0.026770
3.40396 6.39556 15.41435 0.092108 0.015743 -0.000100
4.68629 9.80110 15.71252 -0.001811 0.004957 -0.027596
1.37466 15.81565 6.57874 0.013401 -0.024672 -0.035889
7.09088 6.82667 3.84124 0.048694 -0.003176 0.013123
7.61930 10.48039 15.85046 -0.043931 0.002372 -0.009777
7.41779 15.85070 1.52992 0.028417 -0.012186 0.036136
15.55464 16.72319 8.03644 0.041715 -0.010807 -0.018622
13.07595 4.75045 1.82568 -0.036807 -0.072463 0.048968
15.87230 16.00264 16.79173 0.009990 -0.012777 0.024005
13.32360 2.60502 12.73737 0.023681 -0.027666 0.005313
0.55249 6.59079 4.23782 0.057451 -0.065019 0.036435
15.18808 9.39252 4.84217 -0.015130 -0.041964 0.070348
11.03011 13.47136 10.75322 0.000341 0.066116 0.053959
15.23502 13.02002 2.66689 0.003491 0.063018 0.061796
12.82562 15.26728 12.27162 0.004798 0.027210 -0.055696
4.40875 11.95417 6.74243 0.081402 0.000624 -0.020487
8.12592 8.21012 9.04333 -0.062876 0.013264 0.052385
13.25070 17.02623 3.08036 0.082902 0.031288 0.005630
13.74884 3.77612 5.08677 0.038730 0.003888 0.007477
11.37746 6.90374 15.33053 -0.015848 0.010645 -0.098215
4.66043 2.62454 5.40299 -0.016041 0.003245 0.002589
5.77921 4.27509 3.43278 -0.012188 0.012579 0.023377
0.34452 1.69957 8.04875 -0.032035 0.009638 -0.044208
1.80187 0.52108 10.02447 -0.001901 -0.018958 0.018779
4.75246 3.01561 12.34480 -0.008518 0.001128 -0.005090
1.50842 3.14566 9.98862 0.006020 -0.010603 -0.015764
4.95472 5.61633 13.24669 0.006308 0.024831 0.026708
2.96441 4.81010 11.54517 0.052909 0.012119 0.038857
16.29091 1.39840 16.27730 -0.036490 0.010829 -0.019577
16.82534 6.26784 0.05615 -0.004212 0.019603 -0.001813
4.31842 8.27322 4.89385 -0.001052 -0.011188 0.011382
5.63218 9.69475 2.96181 -0.004572 -0.003346 -0.008705
0.94811 5.35844 6.79492 0.050587 -0.042808 0.038625
1.85280 5.69281 9.33139 0.006519 -0.038571 0.058831
4.75631 8.28763 13.58041 0.003213 0.006034 -0.015710
0.07704 7.35374 8.20274 -0.000379 0.007961 -0.012026
4.28140 14.65710 5.60842 -0.007858 0.012092 -0.005290
1.65861 14.75355 0.94972 0.009471 -0.002463 0.008751
4.07933 0.13599 5.63769 -0.002633 -0.022830 -0.019629
5.62134 16.05922 3.83390 0.024143 -0.009673 0.005212
3.00990 15.90918 3.37898 -0.021599 -0.007121 -0.032728
3.08019 14.09643 7.94867 0.056812 -0.018419 -0.017742
0.22893 13.47429 7.69522 0.049070 0.007773 0.039004
1.10942 15.18632 9.47106 -0.006415 -0.033775 -0.069468
4.55473 0.32140 12.75941 -0.006428 -0.006321 -0.008609
5.91146 15.72108 11.29936 0.002405 0.027168 0.001163
16.98763 13.16093 16.30404 -0.010602 -0.001627 0.004430
9.66054 2.88654 5.47643 -0.011299 0.010213 -0.011784
8.39178 4.29460 3.31827 -0.054009 -0.007400 -0.033356
8.63017 1.34756 7.47123 0.012452 0.013053 -0.005397
5.92569 1.23667 7.41130 -0.002244 -0.018221 -0.004776
7.22971 0.30245 9.59104 0.005085 0.008772 -0.003025
10.15442 2.86976 13.21065 -0.006013 -0.020758 0.035495
7.20250 2.90268 9.16224 -0.003531 -0.012826 -0.010642
9.14871 5.39171 13.44196 0.050394 -0.055683 -0.061351
8.72300 4.11255 11.04007 0.050974 -0.022402 0.030672
6.24881 1.79413 14.18268 0.040975 -0.012107 -0.017759
6.87750 5.68378 1.33018 0.004730 0.013194 -0.035084
9.84080 8.69248 4.65523 -0.003226 0.000538 -0.006474
7.03824 8.42612 1.15381 -0.003508 -0.018427 -0.005955
10.91708 10.34116 2.66862 0.000923 0.001346 -0.001674
8.28397 10.10307 3.07476 -0.014013 0.001050 -0.004154
8.65334 6.97971 6.56281 0.016472 0.006278 0.016087
7.85853 5.44230 8.74646 -0.015649 -0.026426 0.035678
10.10576 10.04816 13.80506 0.011843 0.011015 -0.014478
10.83740 12.62380 13.70308 -0.000525 0.050282 0.054320
11.31462 10.95517 11.63389 -0.043952 0.031526 0.051155
8.78931 11.87208 12.23907 0.004942 0.049584 0.006818
8.85687 6.92857 0.03484 -0.010497 -0.024466 -0.000429
6.87850 11.19828 1.06873 -0.014544 0.003270 -0.027448
10.26925 14.61367 5.54559 0.002144 -0.014354 0.012862
10.18864 0.20539 5.54965 -0.005038 0.035120 0.024080
10.69100 16.02900 3.16050 -0.004332 0.001469 0.019732
8.30662 15.92992 4.34388 0.097237 -0.004254 0.081252
8.82132 13.37183 7.56568 0.002167 0.006620 -0.003455
6.00979 14.02378 7.72945 0.004911 0.023322 -0.002732
9.76337 15.09514 13.81754 -0.005579 0.006582 -0.009215
7.81193 14.92485 9.56622 -0.005672 0.050041 0.049951
9.32216 0.52810 14.12830 0.003679 -0.024219 -0.033340
8.39270 16.36964 11.82399 -0.010894 0.003951 0.000236
5.76888 12.65258 15.62002 0.031573 -0.004947 0.028176
11.64956 0.18955 0.73028 0.010276 0.042023 -0.068804
13.23679 2.28673 0.45734 -0.026741 -0.031809 -0.036304
16.60583 4.08113 4.83091 0.003945 0.000030 -0.000879
12.61802 3.04296 10.00687 0.004102 -0.026436 -0.056170
0.18437 5.11260 11.39193 0.000263 -0.023773 -0.004814
14.50110 4.73298 11.30904 -0.066114 -0.020605 -0.042483
11.14508 1.80478 15.70311 -0.002084 0.020556 -0.012996
14.28497 7.45125 0.94220 0.122796 -0.066104 0.053754
12.46557 9.25592 0.51371 0.009984 -0.012569 -0.015626
16.43095 11.67453 5.98604 0.000996 -0.001060 -0.003539
0.41641 10.55265 3.71499 -0.005691 -0.012497 0.012773
15.59965 6.13476 6.19405 0.033695 -0.047030 -0.078955
11.21623 7.79611 6.62013 0.033915 0.033417 0.033648
15.25669 11.88555 14.40292 0.010491 0.009063 0.026952
16.25455 11.55279 11.97191 -0.063817 -0.029046 0.103431
13.64139 12.04501 12.11111 0.023135 0.023403 0.031881
14.09705 8.35707 15.56766 -0.000697 -0.022033 0.004829
12.17332 6.83211 16.52158 0.039230 -0.008439 0.049847
14.57438 12.94027 7.62572 -0.002639 0.016906 0.003028
11.72994 13.33795 7.47140 -0.015754 0.006329 -0.009377
12.95229 11.98816 9.51689 -0.014766 0.022284 0.038991
13.50914 14.60590 9.39424 0.002698 0.019176 0.007948
15.85727 17.08578 13.91947 -0.014530 -0.003350 0.016707
0.46169 16.24103 11.95927 0.015221 -0.010621 -0.018003
15.13875 16.00713 11.36471 -0.033141 0.001957 -0.035694
14.17666 13.51666 16.11883 0.008285 -0.011541 -0.008253
11.53181 14.18698 15.67969 0.009750 0.041203 -0.010270
16.92370 4.80600 2.12151 0.011950 -0.004627 0.005184
1.60078 0.97154 16.06308 -0.026306 0.024787 0.036940
3.92432 10.74345 4.48017 0.022961 -0.008490 -0.004096
0.18995 8.00863 10.19178 0.029884 -0.015673 0.019091
1.71792 7.63811 17.04243 0.003599 -0.004539 0.010907
16.08825 8.77225 9.12769 0.001920 -0.010948 -0.030599
6.95498 0.80891 16.43388 0.007149 -0.008583 0.002211
5.89502 2.96671 16.43912 0.033711 -0.015243 -0.023050
10.71694 3.42487 3.31208 -0.030293 0.018838 0.039632
8.34060 10.11222 10.56491 -0.028101 0.010397 0.018991
7.05406 13.36337 0.39791 0.024698 -0.007708 0.002546
10.76992 16.87004 12.24750 -0.037799 -0.012520 0.032472
15.38489 4.13049 0.42853 -0.017631 -0.004264 -0.001855
16.09429 3.80439 13.06984 0.017475 -0.000029 0.009305
0.59250 9.54544 6.01658 0.038860 -0.011017 0.025895
13.34728 10.76337 2.33176 0.039832 0.003509 0.046690
12.14118 7.65945 8.44612 0.028408 0.011400 0.032482
12.58595 6.37177 7.28739 -0.038339 0.018926 0.031323
13.16281 14.29869 4.08676 -0.013071 0.004886 -0.012388
0.54762 15.53731 3.09702 0.044160 0.009795 -0.039791
13.80312 12.16547 4.87739 0.006672 0.006146 -0.010949
0.91103 1.01867 2.45909 0.032738 -0.018336 -0.046611
1.87440 3.64476 0.49917 0.048016 0.012828 0.040034
3.25423 4.96697 6.00958 0.047291 0.017438 -0.044940
2.79363 3.00621 7.29968 -0.020914 0.012966 -0.020585
5.98132 6.10593 10.68924 0.004741 -0.001042 0.004656
16.24084 9.78521 0.85857 -0.023344 0.012815 -0.024975
2.41792 8.17351 2.61390 0.005056 0.007503 -0.003294
2.23123 8.30016 6.66955 -0.032432 0.020441 -0.031142
2.88301 11.35491 13.71528 0.024402 -0.004034 -0.027278
5.78899 9.61170 11.66519 -0.043586 -0.020115 -0.043480
0.57441 8.18259 14.59157 -0.061942 0.015747 0.051195
0.85577 12.59180 2.30047 0.035884 -0.021942 -0.051627
5.86614 14.88039 14.24181 0.023552 0.001277 0.032009
2.69135 14.46151 11.89814 0.022143 0.026453 -0.020149
3.07139 11.88420 16.39577 -0.000489 -0.004465 -0.006846
10.75339 6.10297 3.67059 -0.030284 -0.006506 0.032745
11.29495 5.49383 10.75817 -0.023068 0.009140 -0.025313
8.42849 3.90809 15.07547 -0.007850 -0.000705 -0.006793
11.19654 11.11976 5.65067 0.013739 0.007904 0.023189
5.85712 8.38297 7.49814 0.000947 -0.002714 0.001755
6.79117 5.69803 15.47578 -0.003797 -0.000118 0.007361
6.41481 11.45961 9.24022 -0.023121 -0.017278 -0.028783
9.36584 11.94585 15.64127 0.005044 -0.006257 0.008902
16.81029 1.09242 5.17253 -0.040531 0.010846 0.036033
15.21586 1.45146 2.63129 -0.002025 -0.005283 0.001663
14.56615 3.34766 7.99748 -0.012261 0.007343 -0.001938
12.33498 1.81875 6.54894 -0.057512 0.006715 0.057237
11.94844 16.72666 9.27288 -0.044560 -0.020805 -0.043953
15.88676 5.83312 14.48435 0.038326 -0.016071 0.039082
13.33331 0.90468 14.57389 -0.027765 0.016413 -0.018707
13.56504 9.21224 13.02808 -0.000826 0.008317 -0.020899
11.55164 11.36061 16.46045 -0.019446 -0.009527 -0.015986
15.14630 15.18394 5.83680 0.013449 -0.014440 -0.014860
12.40685 13.89135 2.02125 0.020125 0.012258 -0.021954
16.67052 13.56322 13.11019 -0.020214 0.013849 0.023004
2.37359 1.04232 1.50805 -0.005411 -0.008531 0.021235
1.01971 3.64911 16.09025 -0.027952 -0.002489 0.022916
3.52044 5.62526 4.40736 -0.041637 0.007862 -0.056497
3.91466 2.61639 8.57532 0.046093 0.017306 0.045861
5.21007 4.94388 9.63497 -0.047562 -0.006999 -0.059759
16.56762 8.53534 2.02206 0.033565 0.020956 -0.040319
3.27321 9.21367 1.49384 -0.045211 0.003126 0.055954
3.19418 8.15538 8.11579 0.032636 0.015509 0.035462
4.05586 11.91659 12.50969 -0.020853 0.002107 0.010856
7.14295 9.32452 12.68722 0.021097 -0.008319 0.016917
17.00988 9.60787 15.31169 0.000352 0.000367 0.006058
2.49508 12.22466 1.86888 0.039168 0.002425 0.031109
4.30429 15.47818 14.72980 0.021996 -0.020315 -0.039924
3.56458 14.89645 10.44733 -0.039177 0.025209 0.041320
3.65547 13.36767 17.05798 0.047432 0.016958 0.047836
11.45793 5.51460 5.14843 0.048131 -0.003422 0.041944
11.76577 5.74699 12.42805 0.021800 0.016008 0.022431
8.86244 3.10313 16.61254 0.040746 0.003088 0.041937
9.60695 10.85594 6.30205 0.036322 0.024659 -0.043206
5.27474 6.97401 8.31560 0.045443 0.014425 -0.048603
7.25977 7.30556 15.06820 -0.041359 -0.025866 0.041655
6.00856 12.81859 10.26469 0.035376 -0.012551 -0.034088
8.25548 12.70110 14.57137 -0.048002 -0.011326 -0.055360
15.11307 0.65312 5.29893 -0.020030 -0.014320 -0.020604
16.30937 2.77770 2.33382 -0.037753 -0.008970 0.035027
15.10410 2.46776 9.39201 0.040318 0.003648 0.047511
11.57884 3.12541 7.40602 0.001798 -0.001417 -0.003373
12.08632 0.48362 10.74626 0.045177 -0.017870 -0.053877
14.32452 5.97564 13.73584 0.012556 -0.002345 -0.028391
13.18086 16.49043 15.32475 -0.003724 -0.006736 -0.012608
15.00979 9.01823 12.04537 -0.030142 0.014306 0.045280
10.81363 12.37864 0.50508 0.030151 -0.006915 -0.026538
16.46662 14.55635 4.81776 -0.054067 -0.017876 0.050557
13.72016 14.84577 1.42789 0.013882 0.009783 0.022788
0.18194 14.69800 14.28972 0.048813 0.011547 0.043103
6.47511 4.19515 7.18280 0.032877 -0.001435 -0.041022
7.36769 3.23973 5.99732 -0.001206 0.006263 0.012863
7.48146 5.00183 5.96630 -0.006734 -0.004046 0.015224
3.54432 3.12879 15.09774 0.006517 0.006768 0.005872
2.45512 2.02658 14.21672 -0.057610 -0.006376 -0.044642
3.49761 1.39965 15.51068 0.016748 -0.009296 0.009818
3.30662 7.04379 16.29225 0.018646 -0.000027 -0.010565
2.47933 6.44584 14.82540 -0.065277 0.004571 -0.051853
3.52700 5.36295 15.77783 0.007337 0.002125 -0.000712
5.12464 8.90995 16.17319 0.022215 -0.012320 0.019181
4.88191 10.65971 16.35487 0.019566 0.010901 0.014376
3.59135 9.63654 15.67693 -0.001594 -0.000598 -0.027076
0.37608 16.21424 6.39424 -0.024244 0.009220 -0.020206
2.05556 16.65688 6.74405 0.016268 0.009755 0.017255
1.68898 15.29312 5.66070 -0.025786 0.015723 0.036871
6.22653 7.42140 3.53647 -0.035978 0.022044 -0.027231
7.07363 6.73582 4.92912 0.020976 0.002327 0.001056
7.98126 7.40643 3.55972 -0.025630 -0.012527 0.024024
6.93264 9.68361 16.12928 0.020602 0.019295 -0.014408
7.74144 10.50533 14.76010 -0.020567 0.003705 0.013631
8.59891 10.19202 16.25836 0.050802 -0.009872 0.036889
7.23822 14.79305 1.19014 -0.009869 -0.001610 -0.001136
6.72986 16.49894 0.97211 -0.041563 0.025493 -0.032788
8.45903 16.11554 1.30021 -0.028947 -0.003371 0.032766
16.16904 15.91422 7.64071 -0.020948 0.026307 0.018901
15.66117 16.69177 9.13058 0.022087 0.003369 0.007899
14.50503 16.49602 7.80427 -0.028485 -0.004091 -0.027204
12.23957 4.40863 2.46323 0.057654 0.016227 -0.050898
13.63330 5.53453 2.34906 0.027872 0.020502 0.022564
12.65005 5.17719 0.90663 -0.033063 0.017214 -0.044521
16.93318 15.72970 16.75235 -0.004891 -0.001036 0.018634
15.26419 15.09901 16.81872 -0.004484 -0.002667 -0.017486
15.74991 16.50918 0.60913 0.019424 -0.006585 -0.019514
14.24843 2.04155 12.54084 -0.018189 0.006822 0.023001
13.41999 3.09338 13.71872 0.022116 0.005173 0.012872
12.47149 1.91483 12.79420 0.002797 0.006072 -0.020678
0.93025 7.53860 4.64373 0.011615 0.015238 0.017195
1.38620 6.08137 3.72951 -0.046546 0.016487 0.041891
16.93910 6.82537 3.44407 -0.063659 0.013701 -0.059719
14.56901 9.90581 4.09480 -0.043297 0.027556 -0.049243
15.35625 8.36344 4.49618 -0.003089 0.010168 0.003120
14.60518 9.33584 5.77672 0.053928 0.010055 -0.058708
11.33374 14.37584 10.22493 -0.009153 -0.012947 0.010393
10.37008 12.91456 10.06954 -0.039626 -0.027159 -0.046477
10.41693 13.75705 11.61295 0.051846 -0.017070 -0.052123
15.69543 13.91771 2.22608 -0.021082 -0.016165 0.022407
16.04143 12.31051 2.89404 0.021024 -0.015334 0.022139
14.59463 12.55118 1.91449 -0.049940 -0.023621 -0.050743
13.38633 14.41641 12.68121 0.020840 -0.017703 0.016238
12.99933 16.12766 12.93617 0.018060 0.009588 0.006207
11.76961 15.02949 12.31960 0.005132 0.005465 -0.020323
3.45751 11.64964 6.29415 -0.052556 -0.012068 -0.043049
5.23019 11.59707 6.10416 -0.056230 0.028192 0.049994
4.48641 11.45667 7.72182 0.019313 -0.002399 0.006791
9.15515 8.06444 9.39832 0.042323 -0.006807 0.032347
8.07549 9.19705 8.56253 -0.010759 0.000911 -0.005524
7.47274 8.22694 9.93021 0.054129 -0.004368 -0.065993
13.34718 16.44616 4.00731 0.022621 -0.006838 0.007180
14.23086 17.02644 2.58081 -0.065168 -0.003899 0.038933
12.97598 0.90663 3.35021 0.004554 -0.013511 -0.011987
13.67025 3.95099 6.16620 0.026009 -0.005151 -0.010818
13.67534 4.75779 4.59851 -0.012050 0.001226 -0.000765
12.88939 3.16891 4.77009 -0.028764 -0.020317 -0.024597
15.80463 6.68521 6.98271 0.024497 0.015747 0.020385
10.99252 6.33106 8.12524 0.031498 0.024366 -0.032567
0.65337 9.22778 8.95220 -0.019223 -0.018110 0.016809
16.09611 11.86398 11.06636 -0.020118 0.007012 -0.020080
10.09057 9.17273 13.38431 0.002206 -0.000322 0.000936
9.09427 6.43790 16.39154 -0.034428 0.028084 0.045669
15.03303 6.92202 0.60036 -0.042954 0.034237 0.024530
10.63527 7.71294 15.41075 -0.000247 -0.005260 -0.021529
12.01169 7.08747 14.44353 -0.054946 -0.011016 0.059597
10.85570 5.94962 15.17682 -0.014424 -0.004186 -0.019929
-----------------------------------------------------------------------------------
total drift: 0.021073 -0.036610 0.069098
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4373677946 eV
energy without entropy= -2279.4610553143 energy(sigma->0) = -2279.44526363
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 2 -------------------------------------------
--------------------------------------- Iteration 2( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1632
total energy-change (2. order) : 0.3400404E-01 (-0.5457679E+00)
number of electron 1204.0000385 magnetization
augmentation part 54.0309658 magnetization
free energy = -0.227940336700E+04 energy without entropy= -0.227942758353E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) :-0.1486924E-01 (-0.2277870E-01)
number of electron 1204.0000385 magnetization
augmentation part 54.0240421 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8954
0.8954
free energy = -0.227941823624E+04 energy without entropy= -0.227944225006E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1952
total energy-change (2. order) : 0.4281965E-02 (-0.8986426E-03)
number of electron 1204.0000385 magnetization
augmentation part 54.0248008 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4435
1.0025 1.8845
free energy = -0.227941395427E+04 energy without entropy= -0.227943794003E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1888
total energy-change (2. order) : 0.1406270E-02 (-0.1263947E-02)
number of electron 1204.0000385 magnetization
augmentation part 54.0256682 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1924
1.9706 0.8364 0.7703
free energy = -0.227941254800E+04 energy without entropy= -0.227943654168E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 2144
total energy-change (2. order) : 0.2344983E-03 (-0.2395696E-03)
number of electron 1204.0000385 magnetization
augmentation part 54.0250405 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2028
2.2233 0.9367 0.9367 0.7146
free energy = -0.227941231350E+04 energy without entropy= -0.227943630196E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 6) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1872
total energy-change (2. order) : 0.8981190E-04 (-0.1439209E-03)
number of electron 1204.0000385 magnetization
augmentation part 54.0252829 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1847
2.3383 0.8759 0.8759 0.9167 0.9167
free energy = -0.227941222369E+04 energy without entropy= -0.227943619968E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 7) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 2032
total energy-change (2. order) : 0.1883542E-04 (-0.1707242E-04)
number of electron 1204.0000385 magnetization
augmentation part 54.0248938 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2336
2.3916 0.9290 0.9290 1.3348 1.1621 0.6552
free energy = -0.227941220486E+04 energy without entropy= -0.227943618368E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 8) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1672
total energy-change (2. order) : 0.2620635E-04 (-0.3338313E-05)
number of electron 1204.0000385 magnetization
augmentation part 54.0250269 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3142
2.6226 1.9356 0.9262 0.9262 1.0315 1.0315 0.7257
free energy = -0.227941217865E+04 energy without entropy= -0.227943615440E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 9) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1424
total energy-change (2. order) : 0.1393890E-04 (-0.2052878E-05)
number of electron 1204.0000385 magnetization
augmentation part 54.0250316 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3455
2.8266 2.0505 0.9296 0.9296 1.3158 1.0039 1.0039 0.7040
free energy = -0.227941216471E+04 energy without entropy= -0.227943613781E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 2( 10) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1312
total energy-change (2. order) : 0.2857079E-05 (-0.1630183E-05)
number of electron 1204.0000385 magnetization
augmentation part 54.0250316 magnetization
free energy = -0.227941216185E+04 energy without entropy= -0.227943613023E+04
--------------------------------------------------------------------------------------------------------
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 -89.4987 2 -89.9823 3 -90.3041 4 -88.6899 5 -89.6537
6 -88.8966 7 -90.0309 8 -89.2557 9 -89.2478 10 -88.8493
11 -89.0754 12 -88.8861 13 -89.4251 14 -88.7189 15 -88.5953
16 -89.8751 17 -89.9073 18 -90.1350 19 -91.0210 20 -89.5873
21 -88.6658 22 -89.5017 23 -89.0100 24 -88.1773 25 -90.1154
26 -89.0583 27 -89.2907 28 -90.0534 29 -89.0725 30 -89.1661
31 -87.6439 32 -89.1395 33 -89.3503 34 -89.1751 35 -90.0125
36 -88.8755 37 -88.5434 38 -89.2818 39 -87.9715 40 -90.6535
41 -91.3906 42 -90.9317 43 -90.1252 44 -88.9590 45 -89.8359
46 -89.1404 47 -90.0790 48 -88.5295 49 -90.4865 50 -89.1345
51 -88.8573 52 -89.3076 53 -88.5425 54 -89.3981 55 -89.4782
56 -89.2659 57 -89.2594 58 -88.9938 59 -89.0518 60 -89.4178
61 -89.4572 62 -89.4786 63 -89.7364 64 -89.8031 65 -88.0801
66 -90.4377 67 -90.2074 68 -89.2722 69 -89.8436 70 -54.0374
71 -54.2633 72 -52.8534 73 -53.4459 74 -52.8766 75 -53.3205
76 -53.0855 77 -53.1028 78 -54.7730 79 -52.7253 80 -52.9781
81 -53.3591 82 -53.2467 83 -52.9005 84 -52.8274 85 -53.1109
86 -53.2081 87 -52.2474 88 -52.4772 89 -53.6632 90 -53.0894
91 -52.7851 92 -53.3819 93 -51.8726 94 -53.3562 95 -54.1900
96 -52.8583 97 -53.3855 98 -53.0796 99 -53.3823 100 -53.2556
101 -54.3780 102 -53.1412 103 -53.0927 104 -53.1331 105 -53.3754
106 -53.3562 107 -52.5576 108 -52.9032 109 -52.7377 110 -52.5288
111 -53.1150 112 -52.4281 113 -51.5943 114 -54.5427 115 -52.8143
116 -53.7401 117 -53.1682 118 -52.6328 119 -53.3598 120 -52.8791
121 -52.7866 122 -53.1774 123 -52.6392 124 -53.1211 125 -52.6410
126 -53.5922 127 -53.3883 128 -54.0689 129 -75.3147 130 -75.0696
131 -75.2693 132 -75.4368 133 -75.0603 134 -75.3923 135 -74.9017
136 -75.2080 137 -75.6835 138 -76.5000 139 -75.1969 140 -74.9779
141 -75.5378 142 -75.5649 143 -74.6189 144 -75.7081 145 -75.9765
146 -75.6588 147 -75.9850 148 -77.3349 149 -76.0859 150 -75.5458
151 -75.5019 152 -75.3245 153 -75.1256 154 -75.2193 155 -75.5452
156 -75.5345 157 -75.2629 158 -75.6430 159 -75.5450 160 -75.4044
161 -74.3611 162 -75.1557 163 -71.5349 164 -74.3886 165 -74.9437
166 -74.9882 167 -75.3265 168 -74.8486 169 -75.4235 170 -75.0022
171 -75.2892 172 -74.9047 173 -75.2679 174 -74.9041 175 -75.1881
176 -75.0922 177 -74.6775 178 -73.5269 179 -76.0404 180 -75.9747
181 -76.1086 182 -77.1985 183 -75.6466 184 -75.5160 185 -75.1476
186 -75.3890 187 -75.0528 188 -75.3057 189 -74.1733 190 -75.8242
191 -76.4717 192 -75.6995 193 -74.8691 194 -75.5405 195 -75.0187
196 -75.3501 197 -75.4421 198 -75.4329 199 -75.5136 200 -75.3922
201 -75.2951 202 -75.0989 203 -75.4679 204 -75.4453 205 -75.4179
206 -75.3949 207 -75.1692 208 -75.6671 209 -75.5865 210 -75.4117
211 -75.4204 212 -75.5307 213 -75.4063 214 -75.3111 215 -75.5304
216 -75.1221 217 -36.7702 218 -35.8536 219 -35.1724 220 -36.9798
221 -35.7582 222 -37.0853 223 -35.1510 224 -35.0632 225 -35.4755
226 -34.9410 227 -33.9845 228 -35.2711 229 -37.6163 230 -35.2552
231 -35.4218 232 -35.4077 233 -36.6300 234 -36.6704 235 -35.6049
236 -36.0232 237 -35.4318 238 -37.6814 239 -37.9667 240 -36.9602
241 -37.1711 242 -36.7246 243 -37.0686 244 -37.0271 245 -37.0310
246 -36.5906 247 -36.7772 248 -37.2589 249 -37.1254 250 -36.5477
251 -36.8986 252 -36.9204 253 -37.1047 254 -36.1700 255 -36.1390
256 -36.8640 257 -37.0065 258 -36.4507 259 -37.1207 260 -36.0650
261 -37.3442 262 -38.0661 263 -36.8458 264 -37.2504 265 -36.9261
266 -37.0969 267 -37.1307 268 -37.0173 269 -36.8316 270 -37.2195
271 -37.3160 272 -36.9739 273 -37.7384 274 -37.9592 275 -36.9518
276 -37.1652 277 -36.8039 278 -37.2507 279 -36.9909 280 -37.0458
281 -36.5117 282 -36.6006 283 -37.2382 284 -37.0737 285 -36.7620
286 -36.8271 287 -36.8041 288 -37.0861 289 -36.1531 290 -36.5841
291 -36.9141 292 -37.0359 293 -36.3776 294 -37.0868 295 -36.0680
296 -37.3667 297 -38.2425 298 -36.8666 299 -37.0865 300 -36.9278
301 -37.1371 302 -37.2495 303 -37.0429 304 -37.0150 305 -37.2015
306 -37.4014 307 -37.1437 308 -36.5920 309 -36.5453 310 -36.6688
311 -36.7913 312 -36.7018 313 -36.8084 314 -36.6063 315 -36.5778
316 -36.6674 317 -36.3096 318 -36.1773 319 -36.5031 320 -37.0247
321 -36.9355 322 -37.1444 323 -36.3292 324 -36.4622 325 -36.4427
326 -35.5655 327 -35.5365 328 -35.4943 329 -37.7021 330 -38.0557
331 -38.0563 332 -36.8566 333 -36.6833 334 -36.7927 335 -37.6130
336 -37.4138 337 -37.1540 338 -37.1286 339 -37.1243 340 -37.2953
341 -36.4957 342 -36.5595 343 -36.4365 344 -37.1541 345 -37.2497
346 -37.2049 347 -36.6258 348 -36.6859 349 -36.6771 350 -36.6946
351 -36.5663 352 -36.5702 353 -37.0344 354 -36.9497 355 -36.8945
356 -36.5016 357 -36.6109 358 -36.4687 359 -36.8136 360 -36.9092
361 -37.0012 362 -36.4168 363 -36.5318 364 -36.5601 365 -37.3839
366 -37.6328 367 -37.5250 368 -37.1390 369 -37.2011 370 -37.2980
371 -39.1771 372 -36.7271 373 -37.0496 374 -39.7253 375 -39.5707
376 -38.9810 377 -39.7974 378 -36.3553 379 -36.5574 380 -36.2081
E-fermi : 0.7781 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.7781199103
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6485 2.00000
2 -21.1993 2.00000
3 -20.6675 2.00000
4 -20.5007 2.00000
5 -20.4958 2.00000
6 -20.3946 2.00000
7 -20.3489 2.00000
8 -20.2542 2.00000
9 -20.2430 2.00000
10 -20.1961 2.00000
11 -20.1887 2.00000
12 -20.1600 2.00000
13 -20.1520 2.00000
14 -20.1101 2.00000
15 -20.0853 2.00000
16 -20.0671 2.00000
17 -20.0223 2.00000
18 -19.9220 2.00000
19 -19.8706 2.00000
20 -19.8195 2.00000
21 -19.7979 2.00000
22 -19.7602 2.00000
23 -19.7324 2.00000
24 -19.7143 2.00000
25 -19.6891 2.00000
26 -19.6647 2.00000
27 -19.6493 2.00000
28 -19.6351 2.00000
29 -19.6152 2.00000
30 -19.6122 2.00000
31 -19.5773 2.00000
32 -19.5597 2.00000
33 -19.5046 2.00000
34 -19.4978 2.00000
35 -19.4637 2.00000
36 -19.4427 2.00000
37 -19.4105 2.00000
38 -19.3911 2.00000
39 -19.3501 2.00000
40 -19.3354 2.00000
41 -19.3176 2.00000
42 -19.3076 2.00000
43 -19.2893 2.00000
44 -19.2702 2.00000
45 -19.2426 2.00000
46 -19.2308 2.00000
47 -19.1844 2.00000
48 -19.1810 2.00000
49 -19.1749 2.00000
50 -19.1621 2.00000
51 -19.1275 2.00000
52 -19.1233 2.00000
53 -19.1085 2.00000
54 -19.0843 2.00000
55 -19.0698 2.00000
56 -19.0430 2.00000
57 -19.0312 2.00000
58 -19.0133 2.00000
59 -19.0075 2.00000
60 -18.9782 2.00000
61 -18.9688 2.00000
62 -18.9623 2.00000
63 -18.9483 2.00000
64 -18.9247 2.00000
65 -18.8914 2.00000
66 -18.8696 2.00000
67 -18.8609 2.00000
68 -18.8493 2.00000
69 -18.8168 2.00000
70 -18.7888 2.00000
71 -18.7774 2.00000
72 -18.7770 2.00000
73 -18.7667 2.00000
74 -18.7073 2.00000
75 -18.6711 2.00000
76 -18.6524 2.00000
77 -18.6517 2.00000
78 -18.6042 2.00000
79 -18.6014 2.00000
80 -18.5836 2.00000
81 -18.4939 2.00000
82 -18.3712 2.00000
83 -18.3249 2.00000
84 -18.2733 2.00000
85 -18.0494 2.00000
86 -17.9362 2.00000
87 -17.1753 2.00000
88 -15.1749 2.00000
89 -13.6182 2.00000
90 -13.5667 2.00000
91 -13.2363 2.00000
92 -13.0513 2.00000
93 -12.9401 2.00000
94 -12.8563 2.00000
95 -12.7672 2.00000
96 -12.7453 2.00000
97 -12.7358 2.00000
98 -12.6777 2.00000
99 -12.6262 2.00000
100 -12.5672 2.00000
101 -12.5246 2.00000
102 -12.4737 2.00000
103 -12.4629 2.00000
104 -12.4231 2.00000
105 -12.3966 2.00000
106 -12.3733 2.00000
107 -12.3372 2.00000
108 -12.3099 2.00000
109 -12.2870 2.00000
110 -12.2708 2.00000
111 -12.2290 2.00000
112 -12.2189 2.00000
113 -12.1936 2.00000
114 -12.1564 2.00000
115 -12.1394 2.00000
116 -12.1119 2.00000
117 -12.1089 2.00000
118 -12.0698 2.00000
119 -12.0506 2.00000
120 -12.0037 2.00000
121 -11.9847 2.00000
122 -11.9373 2.00000
123 -11.9239 2.00000
124 -11.9217 2.00000
125 -11.8909 2.00000
126 -11.8638 2.00000
127 -11.8370 2.00000
128 -11.8298 2.00000
129 -11.8206 2.00000
130 -11.7898 2.00000
131 -11.7671 2.00000
132 -11.7268 2.00000
133 -11.7158 2.00000
134 -11.6883 2.00000
135 -11.6185 2.00000
136 -11.5994 2.00000
137 -11.5867 2.00000
138 -11.5607 2.00000
139 -11.5148 2.00000
140 -11.4928 2.00000
141 -11.4650 2.00000
142 -11.4187 2.00000
143 -11.3989 2.00000
144 -11.3232 2.00000
145 -11.1708 2.00000
146 -11.0524 2.00000
147 -11.0379 2.00000
148 -10.6258 2.00000
149 -10.4715 2.00000
150 -10.3733 2.00000
151 -10.1440 2.00000
152 -10.0888 2.00000
153 -10.0571 2.00000
154 -9.8716 2.00000
155 -9.8292 2.00000
156 -9.8108 2.00000
157 -9.7743 2.00000
158 -9.6540 2.00000
159 -9.5915 2.00000
160 -9.4856 2.00000
161 -9.4787 2.00000
162 -9.3966 2.00000
163 -9.3702 2.00000
164 -9.3310 2.00000
165 -9.2932 2.00000
166 -9.2020 2.00000
167 -9.1743 2.00000
168 -9.1605 2.00000
169 -9.0788 2.00000
170 -8.9812 2.00000
171 -8.9645 2.00000
172 -8.9196 2.00000
173 -8.8728 2.00000
174 -8.8333 2.00000
175 -8.7973 2.00000
176 -8.7241 2.00000
177 -8.6936 2.00000
178 -8.6455 2.00000
179 -8.5680 2.00000
180 -8.4440 2.00000
181 -8.4060 2.00000
182 -8.3257 2.00000
183 -8.2684 2.00000
184 -8.2164 2.00000
185 -8.1805 2.00000
186 -8.1608 2.00000
187 -8.0942 2.00000
188 -8.0763 2.00000
189 -8.0324 2.00000
190 -7.9770 2.00000
191 -7.9573 2.00000
192 -7.9106 2.00000
193 -7.8331 2.00000
194 -7.7692 2.00000
195 -7.7289 2.00000
196 -7.6968 2.00000
197 -7.6526 2.00000
198 -7.6242 2.00000
199 -7.5854 2.00000
200 -7.5721 2.00000
201 -7.5415 2.00000
202 -7.5037 2.00000
203 -7.4706 2.00000
204 -7.4342 2.00000
205 -7.4102 2.00000
206 -7.3367 2.00000
207 -7.3265 2.00000
208 -7.2863 2.00000
209 -7.2655 2.00000
210 -7.2439 2.00000
211 -7.1994 2.00000
212 -7.1759 2.00000
213 -7.1528 2.00000
214 -7.1194 2.00000
215 -7.0726 2.00000
216 -7.0370 2.00000
217 -7.0192 2.00000
218 -6.9706 2.00000
219 -6.9559 2.00000
220 -6.9221 2.00000
221 -6.8613 2.00000
222 -6.8078 2.00000
223 -6.7753 2.00000
224 -6.7427 2.00000
225 -6.6992 2.00000
226 -6.6824 2.00000
227 -6.6792 2.00000
228 -6.6524 2.00000
229 -6.6418 2.00000
230 -6.5910 2.00000
231 -6.5783 2.00000
232 -6.5299 2.00000
233 -6.5050 2.00000
234 -6.4818 2.00000
235 -6.3979 2.00000
236 -6.3772 2.00000
237 -6.3237 2.00000
238 -6.2762 2.00000
239 -6.2199 2.00000
240 -6.1937 2.00000
241 -6.1598 2.00000
242 -6.1312 2.00000
243 -6.1070 2.00000
244 -6.0857 2.00000
245 -6.0517 2.00000
246 -6.0154 2.00000
247 -6.0069 2.00000
248 -5.9875 2.00000
249 -5.9531 2.00000
250 -5.9002 2.00000
251 -5.8828 2.00000
252 -5.8402 2.00000
253 -5.8164 2.00000
254 -5.7815 2.00000
255 -5.7691 2.00000
256 -5.7482 2.00000
257 -5.7376 2.00000
258 -5.7226 2.00000
259 -5.7090 2.00000
260 -5.7020 2.00000
261 -5.6893 2.00000
262 -5.6575 2.00000
263 -5.6406 2.00000
264 -5.6196 2.00000
265 -5.6072 2.00000
266 -5.5763 2.00000
267 -5.5666 2.00000
268 -5.5399 2.00000
269 -5.5235 2.00000
270 -5.5127 2.00000
271 -5.4919 2.00000
272 -5.4753 2.00000
273 -5.4570 2.00000
274 -5.4413 2.00000
275 -5.4322 2.00000
276 -5.4259 2.00000
277 -5.4043 2.00000
278 -5.3952 2.00000
279 -5.3801 2.00000
280 -5.3518 2.00000
281 -5.3481 2.00000
282 -5.3148 2.00000
283 -5.2965 2.00000
284 -5.2841 2.00000
285 -5.2764 2.00000
286 -5.2634 2.00000
287 -5.2479 2.00000
288 -5.2344 2.00000
289 -5.2230 2.00000
290 -5.2099 2.00000
291 -5.1963 2.00000
292 -5.1855 2.00000
293 -5.1828 2.00000
294 -5.1708 2.00000
295 -5.1504 2.00000
296 -5.1405 2.00000
297 -5.1361 2.00000
298 -5.1163 2.00000
299 -5.0923 2.00000
300 -5.0837 2.00000
301 -5.0755 2.00000
302 -5.0638 2.00000
303 -5.0557 2.00000
304 -5.0447 2.00000
305 -5.0279 2.00000
306 -5.0137 2.00000
307 -4.9964 2.00000
308 -4.9945 2.00000
309 -4.9737 2.00000
310 -4.9528 2.00000
311 -4.9431 2.00000
312 -4.9263 2.00000
313 -4.9205 2.00000
314 -4.9132 2.00000
315 -4.8941 2.00000
316 -4.8842 2.00000
317 -4.8751 2.00000
318 -4.8664 2.00000
319 -4.8498 2.00000
320 -4.8373 2.00000
321 -4.8299 2.00000
322 -4.8151 2.00000
323 -4.8045 2.00000
324 -4.8010 2.00000
325 -4.7857 2.00000
326 -4.7703 2.00000
327 -4.7617 2.00000
328 -4.7434 2.00000
329 -4.7392 2.00000
330 -4.7272 2.00000
331 -4.7138 2.00000
332 -4.7091 2.00000
333 -4.7028 2.00000
334 -4.6851 2.00000
335 -4.6683 2.00000
336 -4.6629 2.00000
337 -4.6607 2.00000
338 -4.6386 2.00000
339 -4.6207 2.00000
340 -4.6157 2.00000
341 -4.6073 2.00000
342 -4.5907 2.00000
343 -4.5742 2.00000
344 -4.5538 2.00000
345 -4.5501 2.00000
346 -4.5381 2.00000
347 -4.5189 2.00000
348 -4.4989 2.00000
349 -4.4823 2.00000
350 -4.4730 2.00000
351 -4.4660 2.00000
352 -4.4553 2.00000
353 -4.4398 2.00000
354 -4.4392 2.00000
355 -4.4310 2.00000
356 -4.4127 2.00000
357 -4.3940 2.00000
358 -4.3893 2.00000
359 -4.3786 2.00000
360 -4.3683 2.00000
361 -4.3528 2.00000
362 -4.3398 2.00000
363 -4.3240 2.00000
364 -4.3219 2.00000
365 -4.3073 2.00000
366 -4.2759 2.00000
367 -4.2692 2.00000
368 -4.2518 2.00000
369 -4.2352 2.00000
370 -4.2250 2.00000
371 -4.2172 2.00000
372 -4.2039 2.00000
373 -4.1926 2.00000
374 -4.1685 2.00000
375 -4.1515 2.00000
376 -4.1440 2.00000
377 -4.1356 2.00000
378 -4.1264 2.00000
379 -4.1105 2.00000
380 -4.1037 2.00000
381 -4.0979 2.00000
382 -4.0644 2.00000
383 -4.0559 2.00000
384 -4.0493 2.00000
385 -4.0356 2.00000
386 -4.0236 2.00000
387 -4.0204 2.00000
388 -4.0073 2.00000
389 -3.9806 2.00000
390 -3.9762 2.00000
391 -3.9631 2.00000
392 -3.9469 2.00000
393 -3.9330 2.00000
394 -3.9173 2.00000
395 -3.9010 2.00000
396 -3.8954 2.00000
397 -3.8816 2.00000
398 -3.8624 2.00000
399 -3.8604 2.00000
400 -3.8450 2.00000
401 -3.8340 2.00000
402 -3.8229 2.00000
403 -3.7995 2.00000
404 -3.7908 2.00000
405 -3.7746 2.00000
406 -3.7662 2.00000
407 -3.7504 2.00000
408 -3.7295 2.00000
409 -3.7177 2.00000
410 -3.7007 2.00000
411 -3.6975 2.00000
412 -3.6891 2.00000
413 -3.6831 2.00000
414 -3.6720 2.00000
415 -3.6604 2.00000
416 -3.6448 2.00000
417 -3.6377 2.00000
418 -3.6321 2.00000
419 -3.6183 2.00000
420 -3.6026 2.00000
421 -3.5946 2.00000
422 -3.5847 2.00000
423 -3.5612 2.00000
424 -3.5480 2.00000
425 -3.5274 2.00000
426 -3.5161 2.00000
427 -3.5115 2.00000
428 -3.5013 2.00000
429 -3.4731 2.00000
430 -3.4639 2.00000
431 -3.4520 2.00000
432 -3.4432 2.00000
433 -3.4269 2.00000
434 -3.4212 2.00000
435 -3.4088 2.00000
436 -3.3966 2.00000
437 -3.3919 2.00000
438 -3.3631 2.00000
439 -3.3601 2.00000
440 -3.3523 2.00000
441 -3.3309 2.00000
442 -3.3169 2.00000
443 -3.3094 2.00000
444 -3.2783 2.00000
445 -3.2623 2.00000
446 -3.2526 2.00000
447 -3.2501 2.00000
448 -3.2244 2.00000
449 -3.2192 2.00000
450 -3.2152 2.00000
451 -3.2027 2.00000
452 -3.1842 2.00000
453 -3.1752 2.00000
454 -3.1737 2.00000
455 -3.1486 2.00000
456 -3.1458 2.00000
457 -3.1366 2.00000
458 -3.1189 2.00000
459 -3.1084 2.00000
460 -3.0963 2.00000
461 -3.0804 2.00000
462 -3.0658 2.00000
463 -3.0606 2.00000
464 -3.0586 2.00000
465 -3.0479 2.00000
466 -3.0430 2.00000
467 -3.0288 2.00000
468 -3.0208 2.00000
469 -3.0140 2.00000
470 -2.9925 2.00000
471 -2.9889 2.00000
472 -2.9762 2.00000
473 -2.9657 2.00000
474 -2.9480 2.00000
475 -2.9385 2.00000
476 -2.9106 2.00000
477 -2.9066 2.00000
478 -2.8894 2.00000
479 -2.8809 2.00000
480 -2.8743 2.00000
481 -2.8656 2.00000
482 -2.8561 2.00000
483 -2.8257 2.00000
484 -2.8246 2.00000
485 -2.8093 2.00000
486 -2.8019 2.00000
487 -2.7826 2.00000
488 -2.7615 2.00000
489 -2.7605 2.00000
490 -2.7534 2.00000
491 -2.7401 2.00000
492 -2.7264 2.00000
493 -2.7205 2.00000
494 -2.7091 2.00000
495 -2.7033 2.00000
496 -2.6918 2.00000
497 -2.6855 2.00000
498 -2.6667 2.00000
499 -2.6647 2.00000
500 -2.6506 2.00000
501 -2.6425 2.00000
502 -2.6156 2.00000
503 -2.5993 2.00000
504 -2.5957 2.00000
505 -2.5797 2.00000
506 -2.5686 2.00000
507 -2.5653 2.00000
508 -2.5408 2.00000
509 -2.5315 2.00000
510 -2.5240 2.00000
511 -2.5173 2.00000
512 -2.5021 2.00000
513 -2.4942 2.00000
514 -2.4822 2.00000
515 -2.4617 2.00000
516 -2.4577 2.00000
517 -2.4448 2.00000
518 -2.4210 2.00000
519 -2.4132 2.00000
520 -2.4091 2.00000
521 -2.3953 2.00000
522 -2.3876 2.00000
523 -2.3735 2.00000
524 -2.3693 2.00000
525 -2.3510 2.00000
526 -2.3454 2.00000
527 -2.3362 2.00000
528 -2.3267 2.00000
529 -2.3145 2.00000
530 -2.2992 2.00000
531 -2.2920 2.00000
532 -2.2749 2.00000
533 -2.2644 2.00000
534 -2.2492 2.00000
535 -2.2396 2.00000
536 -2.2214 2.00000
537 -2.2194 2.00000
538 -2.2086 2.00000
539 -2.1983 2.00000
540 -2.1908 2.00000
541 -2.1769 2.00000
542 -2.1693 2.00000
543 -2.1446 2.00000
544 -2.1351 2.00000
545 -2.1128 2.00000
546 -2.1080 2.00000
547 -2.0998 2.00000
548 -2.0845 2.00000
549 -2.0657 2.00000
550 -2.0519 2.00000
551 -2.0366 2.00000
552 -2.0227 2.00000
553 -2.0183 2.00000
554 -2.0032 2.00000
555 -1.9906 2.00000
556 -1.9704 2.00000
557 -1.9423 2.00000
558 -1.9374 2.00000
559 -1.9125 2.00000
560 -1.9032 2.00000
561 -1.8838 2.00000
562 -1.8679 2.00000
563 -1.8502 2.00000
564 -1.8394 2.00000
565 -1.8151 2.00000
566 -1.8007 2.00000
567 -1.7758 2.00000
568 -1.7741 2.00000
569 -1.7392 2.00000
570 -1.7309 2.00000
571 -1.6926 2.00000
572 -1.6818 2.00000
573 -1.6556 2.00000
574 -1.6437 2.00000
575 -1.6224 2.00000
576 -1.6014 2.00000
577 -1.5806 2.00000
578 -1.5604 2.00000
579 -1.5377 2.00000
580 -1.5286 2.00000
581 -1.5125 2.00000
582 -1.4760 2.00000
583 -1.4423 2.00000
584 -1.4159 2.00000
585 -1.4045 2.00000
586 -1.3575 2.00000
587 -1.3431 2.00000
588 -1.3252 2.00000
589 -1.2998 2.00000
590 -1.2610 2.00000
591 -1.2335 2.00000
592 -1.1864 2.00000
593 -1.1671 2.00000
594 -1.0896 2.00000
595 -1.0630 2.00000
596 -0.9700 2.00000
597 -0.8649 2.00000
598 -0.6312 2.00000
599 -0.1685 2.00000
600 0.2556 2.00138
601 0.5986 2.02198
602 0.6195 1.97664
603 1.7684 -0.00000
604 2.1002 -0.00000
605 2.4316 -0.00000
606 3.0934 -0.00000
607 3.1366 -0.00000
608 3.2773 -0.00000
609 3.4525 -0.00000
610 3.7423 -0.00000
611 3.8462 -0.00000
612 3.9134 -0.00000
613 3.9843 -0.00000
614 4.0103 -0.00000
615 4.0863 -0.00000
616 4.1435 -0.00000
617 4.1771 -0.00000
618 4.2742 -0.00000
619 4.2916 -0.00000
620 4.3171 -0.00000
621 4.3684 -0.00000
622 4.4151 -0.00000
623 4.4697 -0.00000
624 4.4774 -0.00000
625 4.5094 -0.00000
626 4.5247 -0.00000
627 4.5817 -0.00000
628 4.6198 -0.00000
629 4.6397 -0.00000
630 4.6484 -0.00000
631 4.6703 -0.00000
632 4.7005 -0.00000
633 4.7250 -0.00000
634 4.7391 -0.00000
635 4.7678 -0.00000
636 4.7920 -0.00000
637 4.8036 -0.00000
638 4.8379 -0.00000
639 4.8608 -0.00000
640 4.8748 -0.00000
641 4.9153 -0.00000
642 4.9269 -0.00000
643 4.9654 -0.00000
644 4.9888 -0.00000
645 5.0241 -0.00000
646 5.0321 -0.00000
647 5.0530 -0.00000
648 5.0616 -0.00000
649 5.1048 -0.00000
650 5.1319 -0.00000
651 5.1426 -0.00000
652 5.1551 -0.00000
653 5.1576 -0.00000
654 5.2023 -0.00000
655 5.2116 -0.00000
656 5.2290 -0.00000
657 5.2378 -0.00000
658 5.2757 -0.00000
659 5.2949 -0.00000
660 5.3119 -0.00000
661 5.3235 -0.00000
662 5.3343 -0.00000
663 5.3637 -0.00000
664 5.3890 -0.00000
665 5.4092 -0.00000
666 5.4228 -0.00000
667 5.4340 -0.00000
668 5.4471 -0.00000
669 5.4501 -0.00000
670 5.4805 -0.00000
671 5.5121 -0.00000
672 5.5163 -0.00000
673 5.5321 -0.00000
674 5.5562 -0.00000
675 5.5654 -0.00000
676 5.5913 -0.00000
677 5.6077 -0.00000
678 5.6325 -0.00000
679 5.6365 -0.00000
680 5.6605 -0.00000
681 5.6711 -0.00000
682 5.6759 -0.00000
683 5.7099 -0.00000
684 5.7116 -0.00000
685 5.7276 -0.00000
686 5.7425 -0.00000
687 5.7589 -0.00000
688 5.7711 -0.00000
689 5.8019 -0.00000
690 5.8100 -0.00000
691 5.8287 -0.00000
692 5.8414 -0.00000
693 5.8548 -0.00000
694 5.8729 -0.00000
695 5.8793 -0.00000
696 5.9010 -0.00000
697 5.9141 -0.00000
698 5.9383 -0.00000
699 5.9523 -0.00000
700 5.9531 -0.00000
701 5.9641 -0.00000
702 6.0005 -0.00000
703 6.0158 -0.00000
704 6.0306 -0.00000
705 6.0490 -0.00000
706 6.0574 -0.00000
707 6.0613 -0.00000
708 6.0860 -0.00000
709 6.0936 -0.00000
710 6.1003 -0.00000
711 6.1219 0.00000
712 6.1368 0.00000
713 6.1515 0.00000
714 6.1702 0.00000
715 6.1752 0.00000
716 6.1963 0.00000
717 6.2008 0.00000
718 6.2151 0.00000
719 6.2299 0.00000
720 6.2600 0.00000
721 6.2692 0.00000
722 6.2780 0.00000
723 6.3008 0.00000
724 6.3042 0.00000
725 6.3194 0.00000
726 6.3443 0.00000
727 6.3586 0.00000
728 6.3663 0.00000
729 6.3800 0.00000
730 6.3880 0.00000
731 6.4107 0.00000
732 6.4235 0.00000
733 6.4422 0.00000
734 6.4513 0.00000
735 6.4640 0.00000
736 6.4798 0.00000
737 6.4916 0.00000
738 6.4989 0.00000
739 6.5179 0.00000
740 6.5406 0.00000
741 6.5474 0.00000
742 6.5601 0.00000
743 6.5783 0.00000
744 6.5923 0.00000
745 6.6169 0.00000
746 6.6204 0.00000
747 6.6289 0.00000
748 6.6363 0.00000
749 6.6527 0.00000
750 6.6765 0.00000
751 6.6788 0.00000
752 6.6966 0.00000
753 6.7087 0.00000
754 6.7300 0.00000
755 6.7418 0.00000
756 6.7485 0.00000
757 6.7678 0.00000
758 6.7807 0.00000
759 6.7999 0.00000
760 6.8090 0.00000
761 6.8177 0.00000
762 6.8387 0.00000
763 6.8517 0.00000
764 6.8634 0.00000
765 6.8730 0.00000
766 6.8781 0.00000
767 6.8990 0.00000
768 6.9073 0.00000
769 6.9405 0.00000
770 6.9479 0.00000
771 6.9613 0.00000
772 6.9744 0.00000
773 6.9792 0.00000
774 6.9972 0.00000
775 7.0157 0.00000
776 7.0270 0.00000
777 7.0381 0.00000
778 7.0497 0.00000
779 7.0665 0.00000
780 7.0891 0.00000
781 7.0919 0.00000
782 7.1088 0.00000
783 7.1161 0.00000
784 7.1430 0.00000
785 7.1464 0.00000
786 7.1538 0.00000
787 7.1609 0.00000
788 7.1923 0.00000
789 7.1974 0.00000
790 7.2030 0.00000
791 7.2144 0.00000
792 7.2424 0.00000
793 7.2494 0.00000
794 7.2565 0.00000
795 7.2835 0.00000
796 7.2958 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
19.123 26.684 0.002 0.011 -0.013 0.004 0.021 -0.025
26.684 37.241 0.003 0.016 -0.019 0.006 0.029 -0.035
0.002 0.003 4.273 0.001 0.002 7.969 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.013 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.969 0.001 0.003 14.870 0.002 0.006
0.021 0.029 0.001 7.969 0.001 0.002 14.870 0.001
-0.025 -0.035 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.461 -3.311 0.123 -0.978 -1.024 -0.050 0.383 0.443
-3.311 1.614 -0.111 0.554 0.834 0.039 -0.206 -0.324
0.123 -0.111 3.290 0.098 -0.272 -0.839 -0.020 0.061
-0.978 0.554 0.098 3.617 0.586 -0.020 -0.933 -0.289
-1.024 0.834 -0.272 0.586 4.379 0.061 -0.285 -1.318
-0.050 0.039 -0.839 -0.020 0.061 0.223 0.003 -0.013
0.383 -0.206 -0.020 -0.933 -0.285 0.003 0.256 0.121
0.443 -0.324 0.061 -0.289 -1.318 -0.013 0.121 0.415
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5227.72735 -8291.93338 -4996.80285 646.58949 -1716.37864 903.33414
Hartree 12984.04063 10487.83033 12477.52649 415.80251 -1720.66124 478.75486
E(xc) -4966.56078 -4968.19672 -4965.27843 1.46756 0.58730 1.37737
Local -22709.79264-17193.41245-22355.41792 -1029.30462 3489.67637 -1318.70168
n-local -578.24199 -581.30894 -542.63948 -12.55475 -3.61875 2.60353
augment 254.66335 256.63170 245.93601 0.66837 -2.24573 -4.39920
Kinetic 19036.19162 19118.51729 18897.60976 -19.83912 -36.99778 -89.15098
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.7902840 -162.2352975 -229.4295262 2.8294398 10.3615256 -26.1819602
in kB -62.8240424 -51.5307274 -72.8736013 0.8987137 3.2911269 -8.3161647
external PRESSURE = -62.4094570 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.128E+03 -.238E+02 -.333E+02 0.133E+03 0.228E+02 0.283E+02 -.459E+01 0.925E+00 0.505E+01 0.151E-02 -.400E-03 -.586E-03
0.743E+02 0.502E+01 0.113E+02 -.753E+02 -.780E+00 -.104E+02 0.113E+01 -.429E+01 -.879E+00 -.404E-03 0.990E-03 -.146E-02
-.459E+02 0.477E+02 -.163E+02 0.489E+02 -.490E+02 0.213E+02 -.293E+01 0.135E+01 -.505E+01 0.819E-03 -.260E-04 -.692E-03
0.637E+02 -.202E+02 0.543E+02 -.604E+02 0.244E+02 -.493E+02 -.332E+01 -.425E+01 -.485E+01 0.776E-04 0.227E-03 -.101E-02
-.408E+02 -.170E+02 0.252E+02 0.413E+02 0.169E+02 -.269E+02 -.599E+00 0.860E-01 0.160E+01 0.699E-03 0.849E-03 0.150E-02
0.724E+02 -.290E+01 -.105E+03 -.753E+02 0.459E+01 0.111E+03 0.313E+01 -.171E+01 -.541E+01 -.291E-02 0.196E-03 0.248E-03
0.383E+02 -.609E+02 -.825E+02 -.361E+02 0.602E+02 0.798E+02 -.207E+01 0.683E+00 0.280E+01 -.122E-02 0.676E-03 0.251E-03
0.153E+01 -.754E+02 -.142E+01 0.292E+01 0.751E+02 -.813E+00 -.447E+01 0.310E+00 0.230E+01 -.121E-02 -.106E-05 -.279E-03
-.955E+02 -.179E+02 0.210E+02 0.102E+03 0.231E+02 -.222E+02 -.603E+01 -.521E+01 0.123E+01 -.489E-03 0.141E-03 -.396E-03
0.151E+02 -.345E+02 -.454E+02 -.166E+02 0.309E+02 0.477E+02 0.152E+01 0.352E+01 -.229E+01 -.438E-04 -.162E-03 0.167E-03
-.460E+02 0.124E+02 0.606E+02 0.474E+02 -.135E+02 -.626E+02 -.147E+01 0.109E+01 0.193E+01 -.394E-03 0.312E-03 0.939E-03
0.862E+02 -.845E+02 -.154E+02 -.886E+02 0.903E+02 0.158E+02 0.235E+01 -.580E+01 -.371E+00 0.751E-03 -.319E-03 0.227E-03
-.554E+02 -.962E+02 -.131E+02 0.562E+02 0.988E+02 0.121E+02 -.706E+00 -.275E+01 0.106E+01 -.290E-03 0.162E-02 0.129E-02
0.280E+02 0.908E+00 -.554E+02 -.325E+02 -.128E+01 0.604E+02 0.457E+01 0.407E+00 -.505E+01 -.279E-03 -.134E-03 -.101E-03
0.567E+02 -.314E+02 0.659E+02 -.580E+02 0.338E+02 -.622E+02 0.124E+01 -.237E+01 -.372E+01 -.359E-06 0.615E-04 -.430E-03
-.658E+02 0.352E+02 0.187E+02 0.709E+02 -.410E+02 -.179E+02 -.516E+01 0.580E+01 -.844E+00 0.106E-03 0.693E-03 0.138E-03
-.621E+01 0.110E+03 0.150E+02 0.449E+01 -.120E+03 -.168E+02 0.182E+01 0.968E+01 0.181E+01 -.907E-03 -.498E-03 -.466E-03
-.442E+01 -.468E+02 -.326E+01 -.561E+01 0.473E+02 0.414E+01 0.101E+02 -.552E+00 -.908E+00 0.490E-03 0.186E-03 -.105E-02
0.307E+02 0.193E+02 0.108E+03 -.297E+02 -.192E+02 -.104E+03 -.119E+01 -.141E+00 -.432E+01 0.121E-02 0.596E-03 -.132E-02
-.191E+02 0.783E+02 0.292E+02 0.173E+02 -.709E+02 -.330E+02 0.186E+01 -.739E+01 0.373E+01 0.580E-04 -.819E-03 0.538E-03
0.103E+03 -.411E+02 0.374E+02 -.102E+03 0.396E+02 -.381E+02 -.124E+01 0.147E+01 0.715E+00 -.632E-03 0.370E-03 0.206E-03
-.495E+02 0.404E+02 -.787E+02 0.543E+02 -.430E+02 0.789E+02 -.467E+01 0.258E+01 -.277E+00 -.599E-03 0.222E-03 0.133E-02
0.700E+02 0.943E+02 -.871E+02 -.736E+02 -.957E+02 0.869E+02 0.354E+01 0.148E+01 0.146E+00 -.156E-02 0.104E-03 0.351E-03
0.547E+02 0.804E+01 -.186E+03 -.540E+02 -.696E+01 0.189E+03 -.767E+00 -.112E+01 -.288E+01 -.183E-02 0.245E-03 0.212E-02
-.839E+02 -.939E+01 -.899E+01 0.861E+02 0.112E+02 0.117E+02 -.219E+01 -.179E+01 -.272E+01 -.125E-02 0.304E-03 -.120E-02
0.236E+02 0.247E+02 0.722E+02 -.244E+02 -.175E+02 -.667E+02 0.933E+00 -.719E+01 -.553E+01 -.133E-02 -.157E-03 0.560E-03
-.929E+02 0.564E+01 0.709E+02 0.981E+02 -.340E+01 -.757E+02 -.531E+01 -.220E+01 0.481E+01 -.105E-02 0.478E-03 0.108E-03
-.891E+01 0.157E+02 0.887E+01 0.900E+01 -.137E+02 -.633E+01 -.186E+00 -.202E+01 -.252E+01 -.292E-03 0.101E-02 -.158E-02
0.249E+02 -.473E+02 -.901E+02 -.319E+02 0.512E+02 0.890E+02 0.708E+01 -.399E+01 0.115E+01 -.448E-03 0.564E-03 0.634E-03
0.155E+02 -.733E+02 -.666E+02 -.175E+02 0.745E+02 0.690E+02 0.210E+01 -.132E+01 -.228E+01 -.132E-02 0.160E-02 -.138E-02
-.505E+02 -.605E+02 0.350E+02 0.488E+02 0.725E+02 -.255E+02 0.178E+01 -.122E+02 -.976E+01 0.532E-03 0.177E-02 -.685E-04
0.844E+02 0.451E+02 0.721E+02 -.798E+02 -.453E+02 -.745E+02 -.471E+01 0.253E+00 0.240E+01 0.406E-03 0.186E-03 0.881E-03
-.533E+02 0.168E+01 0.282E+02 0.571E+02 -.479E+01 -.259E+02 -.368E+01 0.318E+01 -.226E+01 -.116E-02 0.328E-03 0.273E-03
0.159E+02 -.439E+02 -.210E+02 -.180E+02 0.494E+02 0.165E+02 0.216E+01 -.545E+01 0.444E+01 -.378E-03 -.197E-03 0.501E-03
-.282E+02 -.100E+03 -.664E+02 0.263E+02 0.986E+02 0.650E+02 0.177E+01 0.188E+01 0.142E+01 0.954E-03 0.110E-03 -.179E-03
0.398E+02 -.102E+03 -.456E+02 -.401E+02 0.109E+03 0.503E+02 0.274E+00 -.664E+01 -.462E+01 0.767E-04 0.615E-03 -.105E-02
0.108E+03 0.832E+02 0.811E+02 -.104E+03 -.887E+02 -.833E+02 -.310E+01 0.556E+01 0.231E+01 0.278E-03 -.135E-02 -.596E-03
0.245E+02 0.109E+03 0.207E+02 -.243E+02 -.110E+03 -.199E+02 -.283E+00 0.695E+00 -.740E+00 0.172E-02 -.180E-02 -.217E-03
-.532E+01 -.847E+02 -.719E+02 0.788E+01 0.850E+02 0.696E+02 -.255E+01 -.241E+00 0.234E+01 0.424E-03 -.199E-03 0.912E-03
0.931E+01 0.106E+03 0.561E+02 -.105E+02 -.109E+03 -.594E+02 0.120E+01 0.260E+01 0.327E+01 0.256E-03 -.113E-02 -.531E-03
0.172E+02 0.845E+01 0.131E+03 -.163E+02 -.862E+01 -.135E+03 -.352E+00 0.160E+00 0.426E+01 -.155E-02 0.410E-03 -.854E-03
-.162E+02 0.224E+02 0.419E+02 0.165E+02 -.216E+02 -.406E+02 -.329E+00 -.786E+00 -.129E+01 0.582E-03 -.638E-03 -.979E-03
0.202E+02 0.132E+03 0.334E+02 -.221E+02 -.133E+03 -.264E+02 0.187E+01 0.822E+00 -.699E+01 0.815E-03 -.137E-02 -.640E-03
0.869E+02 -.231E+02 -.103E+03 -.918E+02 0.189E+02 0.106E+03 0.495E+01 0.432E+01 -.269E+01 0.107E-03 -.218E-02 0.505E-03
0.847E+01 0.113E+02 -.157E+02 -.952E+01 -.125E+02 0.160E+02 0.122E+01 0.129E+01 -.248E+00 -.214E-02 -.104E-02 -.851E-03
-.198E+02 -.327E+02 0.116E+02 0.269E+02 0.352E+02 -.133E+02 -.721E+01 -.250E+01 0.169E+01 0.379E-03 -.110E-02 0.116E-02
-.513E+01 -.274E+02 -.767E+01 0.758E+01 0.235E+02 0.279E+01 -.251E+01 0.395E+01 0.477E+01 0.957E-03 -.876E-03 0.977E-03
0.515E+02 -.196E+02 0.608E+02 -.565E+02 0.166E+02 -.593E+02 0.497E+01 0.301E+01 -.158E+01 0.347E-03 -.116E-03 0.442E-03
-.527E+02 -.622E+02 -.164E+02 0.481E+02 0.645E+02 0.212E+02 0.454E+01 -.253E+01 -.493E+01 0.486E-03 0.322E-03 -.589E-04
0.271E+02 0.348E+02 0.453E+02 -.301E+02 -.354E+02 -.420E+02 0.307E+01 0.551E+00 -.335E+01 0.399E-03 0.379E-03 -.160E-03
0.825E+01 0.155E+02 0.608E+02 -.508E+01 -.153E+02 -.600E+02 -.318E+01 -.170E+00 -.880E+00 0.745E-03 0.303E-03 -.228E-03
-.191E+02 -.321E+02 -.222E+02 0.167E+02 0.275E+02 0.276E+02 0.244E+01 0.457E+01 -.534E+01 0.156E-02 -.651E-03 -.594E-03
-.705E+01 -.884E+02 -.315E+02 0.213E+01 0.857E+02 0.370E+02 0.490E+01 0.264E+01 -.554E+01 0.136E-02 0.149E-02 0.208E-03
-.294E+02 -.533E+02 -.798E+02 0.273E+02 0.469E+02 0.857E+02 0.191E+01 0.630E+01 -.603E+01 0.189E-02 0.986E-03 -.322E-03
-.984E+01 -.918E+01 -.140E+02 0.986E+01 0.480E+01 0.143E+02 0.998E-01 0.424E+01 -.102E+00 0.197E-03 0.144E-02 -.706E-03
-.712E+01 -.414E+02 0.773E+02 0.651E+01 0.458E+02 -.788E+02 0.807E+00 -.453E+01 0.156E+01 0.378E-03 0.156E-02 0.838E-03
-.494E+02 -.386E+02 -.614E+02 0.558E+02 0.430E+02 0.614E+02 -.636E+01 -.429E+01 -.428E-01 -.280E-03 -.226E-03 0.409E-03
-.190E+02 0.761E+02 -.584E+02 0.171E+02 -.826E+02 0.604E+02 0.189E+01 0.642E+01 -.193E+01 -.253E-03 -.165E-03 0.849E-03
-.845E+02 0.323E+02 0.960E+02 0.870E+02 -.307E+02 -.976E+02 -.245E+01 -.152E+01 0.152E+01 -.857E-03 0.645E-03 -.922E-03
-.190E+02 0.704E+02 0.489E+02 0.133E+02 -.676E+02 -.500E+02 0.568E+01 -.277E+01 0.124E+01 0.550E-03 -.241E-02 -.725E-03
-.511E+02 0.132E+03 0.206E+02 0.534E+02 -.135E+03 -.224E+02 -.248E+01 0.352E+01 0.203E+01 0.583E-03 -.128E-02 -.964E-03
-.661E+01 0.363E+02 -.100E+03 0.117E+01 -.369E+02 0.103E+03 0.535E+01 0.634E+00 -.345E+01 0.110E-02 -.132E-02 0.775E-03
-.130E+02 0.406E+02 0.112E+02 0.131E+02 -.360E+02 -.186E+02 0.141E-01 -.452E+01 0.735E+01 -.998E-03 -.177E-02 0.463E-03
0.122E+02 0.275E+02 -.158E+02 -.245E+01 -.278E+02 0.167E+02 -.974E+01 0.404E+00 -.857E+00 -.383E-03 -.100E-02 0.768E-03
0.514E+02 0.218E+02 0.158E+02 -.520E+02 -.223E+02 -.163E+02 0.563E+00 0.555E+00 0.555E+00 -.404E-03 -.943E-03 0.268E-03
0.171E+01 0.541E+02 0.868E+02 0.900E+00 -.563E+02 -.818E+02 -.269E+01 0.235E+01 -.498E+01 0.113E-02 -.238E-02 -.218E-03
-.753E+02 -.967E+00 -.801E+01 0.752E+02 0.110E+01 0.171E+01 0.162E+00 -.157E+00 0.629E+01 -.259E-03 -.247E-03 -.285E-03
0.133E+02 -.511E+02 0.182E+02 -.196E+02 0.529E+02 -.115E+02 0.628E+01 -.174E+01 -.671E+01 0.106E-02 -.157E-02 -.161E-03
-.454E+02 0.236E+02 -.443E+02 0.460E+02 -.277E+02 0.459E+02 -.687E+00 0.402E+01 -.165E+01 0.194E-02 0.707E-05 0.616E-03
-.518E+02 -.358E+02 0.696E+01 0.494E+02 0.325E+02 -.101E+02 0.243E+01 0.331E+01 0.301E+01 0.126E-02 -.172E-03 -.108E-02
-.732E+02 -.264E+02 -.840E+01 0.709E+02 0.234E+02 0.963E+01 0.247E+01 0.299E+01 -.113E+01 0.130E-02 -.614E-03 -.457E-03
0.574E+02 -.118E+02 0.527E+02 -.533E+02 0.124E+02 -.519E+02 -.403E+01 -.550E+00 -.106E+01 0.514E-03 0.413E-03 -.517E-03
0.162E+02 -.139E+01 0.238E+02 -.176E+02 -.347E+01 -.240E+02 0.144E+01 0.496E+01 0.264E+00 0.194E-03 0.117E-02 0.244E-03
0.213E+02 -.856E+02 -.257E+02 -.195E+02 0.821E+02 0.288E+02 -.187E+01 0.357E+01 -.323E+01 -.139E-02 0.803E-03 -.105E-02
-.298E+02 -.291E+00 0.153E+02 0.336E+02 0.940E+00 -.164E+02 -.389E+01 -.520E+00 0.934E+00 -.491E-03 0.698E-03 0.787E-04
0.803E+01 0.821E+01 0.278E+02 -.798E+01 -.469E+01 -.245E+02 -.748E-01 -.348E+01 -.310E+01 0.218E-03 0.188E-04 0.117E-02
-.193E+02 -.103E+03 -.429E+02 0.214E+02 0.986E+02 0.413E+02 -.208E+01 0.422E+01 0.167E+01 -.551E-03 0.598E-03 0.796E-03
0.296E+02 -.155E+03 -.125E+03 -.302E+02 0.160E+03 0.129E+03 0.591E+00 -.501E+01 -.478E+01 -.700E-03 0.522E-03 0.735E-03
0.904E+02 0.218E+02 0.769E+02 -.871E+02 -.228E+02 -.746E+02 -.328E+01 0.103E+01 -.227E+01 -.409E-03 0.144E-03 -.263E-03
0.574E+02 0.127E+02 0.566E+02 -.578E+02 -.762E+01 -.536E+02 0.332E+00 -.515E+01 -.306E+01 0.256E-03 -.528E-03 -.483E-03
-.909E+02 -.342E+01 0.505E+02 0.875E+02 0.117E+01 -.495E+02 0.324E+01 0.229E+01 -.845E+00 -.134E-02 0.132E-03 -.821E-03
-.370E+02 0.276E+02 0.956E+01 0.351E+02 -.307E+02 -.136E+02 0.207E+01 0.297E+01 0.397E+01 0.219E-03 0.255E-03 0.109E-03
0.465E+02 0.208E+02 -.568E+02 -.482E+02 -.240E+02 0.532E+02 0.183E+01 0.322E+01 0.360E+01 -.112E-02 0.995E-06 0.596E-03
0.112E+01 0.864E+02 -.572E+02 -.413E+00 -.820E+02 0.587E+02 -.734E+00 -.429E+01 -.142E+01 -.128E-02 0.510E-03 0.791E-03
0.137E+02 -.263E+02 0.261E+02 -.152E+02 0.297E+02 -.314E+02 0.159E+01 -.328E+01 0.542E+01 0.104E-03 0.937E-03 0.482E-03
-.764E+02 -.120E+01 0.320E+02 0.718E+02 0.110E+01 -.299E+02 0.463E+01 0.403E-01 -.202E+01 -.701E-03 0.614E-03 0.332E-03
-.325E+02 -.111E+03 0.189E+02 0.307E+02 0.107E+03 -.179E+02 0.177E+01 0.449E+01 -.100E+01 0.108E-02 0.231E-02 -.209E-03
0.507E+02 -.329E+02 -.115E+03 -.510E+02 0.315E+02 0.114E+03 0.331E+00 0.143E+01 0.188E+01 -.120E-02 0.854E-03 0.182E-02
0.133E+02 -.882E+00 0.183E+02 -.149E+02 0.297E+01 -.215E+02 0.180E+01 -.205E+01 0.316E+01 0.756E-03 -.308E-03 -.306E-03
0.351E+02 -.854E+02 -.346E+02 -.328E+02 0.818E+02 0.300E+02 -.227E+01 0.363E+01 0.449E+01 -.164E-03 0.127E-04 -.748E-03
0.458E+02 0.261E+02 0.169E+01 -.499E+02 -.242E+02 -.120E+00 0.398E+01 -.196E+01 -.150E+01 -.122E-03 0.174E-03 0.786E-03
0.558E+02 0.110E+03 0.494E+01 -.508E+02 -.109E+03 -.344E+01 -.494E+01 -.633E+00 -.158E+01 0.286E-03 -.157E-02 -.292E-03
0.747E+02 -.612E+02 -.109E+03 -.784E+02 0.657E+02 0.117E+03 0.364E+01 -.459E+01 -.735E+01 -.186E-03 -.143E-02 0.718E-03
-.472E+01 0.202E+02 0.606E+02 0.431E+01 -.165E+02 -.576E+02 0.242E+00 -.361E+01 -.300E+01 -.879E-05 -.175E-03 -.112E-03
-.349E+02 -.252E+01 0.912E+01 0.328E+02 0.447E+01 -.519E+01 0.199E+01 -.197E+01 -.390E+01 0.135E-03 -.211E-03 -.465E-03
0.639E+01 -.574E+02 0.205E+02 -.764E+01 0.538E+02 -.230E+02 0.129E+01 0.359E+01 0.257E+01 0.119E-02 0.711E-03 0.761E-03
-.277E+02 -.962E+01 -.684E+01 0.260E+02 0.619E+01 0.113E+02 0.161E+01 0.346E+01 -.434E+01 -.592E-03 0.401E-03 -.666E-03
0.101E+02 -.374E+02 0.277E+02 -.515E+01 0.383E+02 -.287E+02 -.501E+01 -.110E+01 0.812E+00 0.106E-02 -.119E-02 -.775E-03
-.450E+02 -.141E+02 0.353E+02 0.473E+02 0.180E+02 -.392E+02 -.220E+01 -.394E+01 0.396E+01 0.630E-03 0.632E-03 -.727E-03
-.182E+02 -.324E+02 -.822E+01 0.203E+02 0.340E+02 0.112E+02 -.209E+01 -.172E+01 -.305E+01 0.174E-02 -.638E-03 -.229E-04
-.120E+03 0.152E+02 -.132E+03 0.123E+03 -.186E+02 0.137E+03 -.269E+01 0.354E+01 -.488E+01 0.576E-03 0.137E-02 0.109E-02
-.410E+02 0.832E+02 0.691E+02 0.433E+02 -.817E+02 -.659E+02 -.237E+01 -.145E+01 -.305E+01 -.130E-03 0.682E-04 -.853E-03
-.178E+00 0.244E+02 -.601E+02 0.426E+01 -.244E+02 0.619E+02 -.403E+01 -.141E+00 -.182E+01 0.362E-03 -.962E-03 0.262E-03
0.981E+00 -.320E+02 0.737E+02 -.170E+01 0.296E+02 -.731E+02 0.576E+00 0.226E+01 -.547E+00 -.796E-03 -.171E-02 -.198E-04
0.194E+02 0.157E+02 -.440E+02 -.227E+02 -.145E+02 0.398E+02 0.334E+01 -.115E+01 0.420E+01 0.351E-03 -.864E-03 0.446E-03
-.784E+02 0.286E+02 0.482E+00 0.741E+02 -.274E+02 -.449E+00 0.434E+01 -.113E+01 0.608E-01 0.855E-03 -.923E-04 0.510E-04
0.118E+01 -.190E+02 0.176E+02 -.299E+01 0.191E+02 -.192E+02 0.173E+01 -.142E+00 0.144E+01 -.893E-03 0.615E-03 -.141E-02
0.688E+02 -.103E+02 -.120E+03 -.669E+02 0.971E+01 0.118E+03 -.211E+01 0.617E+00 0.209E+01 -.184E-02 -.344E-03 0.294E-03
0.790E+02 0.208E+02 -.508E+02 -.764E+02 -.194E+02 0.489E+02 -.277E+01 -.144E+01 0.184E+01 -.825E-03 -.789E-03 -.155E-03
0.905E+02 0.152E+02 -.191E+02 -.877E+02 -.139E+02 0.170E+02 -.276E+01 -.123E+01 0.217E+01 0.362E-03 0.159E-03 0.307E-03
0.189E+02 -.762E+01 0.889E+02 -.191E+02 0.672E+01 -.865E+02 0.235E+00 0.993E+00 -.234E+01 0.980E-04 -.270E-03 0.246E-03
0.195E+02 -.335E+02 0.400E+00 -.197E+02 0.318E+02 -.105E+01 0.911E-01 0.174E+01 0.631E+00 -.664E-03 -.173E-03 0.169E-03
-.318E+01 0.372E+02 0.171E+02 0.135E+01 -.336E+02 -.156E+02 0.200E+01 -.352E+01 -.148E+01 0.980E-03 -.175E-03 0.494E-03
0.435E+02 -.165E+02 0.665E+02 -.431E+02 0.154E+02 -.693E+02 -.508E+00 0.111E+01 0.276E+01 -.104E-02 0.133E-03 0.590E-03
0.232E+02 0.702E+01 0.459E+02 -.219E+02 -.448E+01 -.470E+02 -.145E+01 -.249E+01 0.117E+01 0.178E-03 -.862E-03 0.431E-03
0.216E+02 -.298E+02 -.167E+02 -.217E+02 0.310E+02 0.159E+02 0.190E+00 -.984E+00 0.690E+00 0.260E-04 0.141E-02 -.502E-03
-.543E+02 -.565E+01 -.624E+02 0.534E+02 0.615E+01 0.594E+02 0.920E+00 -.505E+00 0.299E+01 0.803E-03 -.347E-03 -.380E-03
-.493E+02 -.316E+02 -.476E+02 0.486E+02 0.334E+02 0.452E+02 0.661E+00 -.171E+01 0.248E+01 0.174E-02 0.102E-02 0.141E-03
-.207E+02 -.278E+02 0.810E+02 0.197E+02 0.263E+02 -.788E+02 0.810E+00 0.166E+01 -.228E+01 0.142E-03 0.110E-02 0.584E-03
0.609E+02 0.385E+02 -.203E+02 -.591E+02 -.374E+02 0.205E+02 -.178E+01 -.964E+00 -.450E+00 -.675E-04 0.762E-03 0.524E-03
0.492E+02 -.335E+01 0.548E+02 -.473E+02 0.306E+01 -.534E+02 -.186E+01 0.101E+00 -.161E+01 0.938E-03 -.267E-02 -.976E-03
-.108E+02 0.156E+02 -.192E+01 0.932E+01 -.154E+02 0.350E+01 0.141E+01 -.397E+00 -.172E+01 -.432E-03 -.834E-03 -.157E-03
0.205E+01 -.294E+02 -.311E+02 -.266E+01 0.292E+02 0.286E+02 0.620E+00 0.109E+00 0.265E+01 0.147E-02 -.176E-02 0.253E-03
0.139E+02 0.114E+03 0.548E+01 -.141E+02 -.113E+03 -.608E+01 -.109E+00 -.196E+01 0.661E+00 -.946E-03 -.968E-03 -.406E-04
-.116E+02 -.856E+02 -.600E+02 0.110E+02 0.834E+02 0.581E+02 0.766E+00 0.219E+01 0.171E+01 0.821E-03 0.250E-03 -.735E-03
-.496E+02 -.146E+02 -.430E+02 0.471E+02 0.130E+02 0.414E+02 0.232E+01 0.154E+01 0.168E+01 -.833E-03 -.118E-02 -.295E-05
0.382E+02 -.360E+02 0.486E+01 -.360E+02 0.351E+02 -.489E+01 -.232E+01 0.810E+00 -.131E-01 -.444E-03 0.646E-03 -.123E-03
0.596E+02 0.238E+02 0.113E+03 -.644E+02 -.244E+02 -.119E+03 0.479E+01 0.521E+00 0.577E+01 -.896E-04 0.176E-02 -.511E-03
0.110E+03 0.297E+01 0.214E+03 -.118E+03 -.771E+01 -.230E+03 0.838E+01 0.477E+01 0.155E+02 0.661E-03 0.847E-03 -.199E-02
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.139E+02 0.132E+02 0.183E+02 -.732E-03 -.959E-03 -.899E-03
0.303E+02 -.577E+02 0.900E+02 -.279E+02 0.626E+02 -.991E+02 -.226E+01 -.484E+01 0.917E+01 0.190E-02 0.609E-03 0.228E-02
-.493E+02 -.296E+02 -.880E+02 0.561E+02 0.332E+02 0.943E+02 -.674E+01 -.358E+01 -.639E+01 -.159E-03 0.129E-02 0.160E-02
0.321E+02 -.756E+00 -.208E+02 -.293E+02 -.579E+01 0.632E+01 -.280E+01 0.653E+01 0.145E+02 -.316E-02 0.305E-03 0.261E-03
0.575E+02 -.154E+02 -.939E+02 -.628E+02 0.100E+02 0.100E+03 0.523E+01 0.536E+01 -.625E+01 0.971E-04 0.119E-02 0.197E-02
0.510E+01 -.625E+02 -.628E+02 0.245E+01 0.604E+02 0.663E+02 -.755E+01 0.204E+01 -.349E+01 -.159E-02 -.568E-03 -.815E-03
0.577E+02 -.133E+03 -.127E+03 -.589E+02 0.139E+03 0.138E+03 0.109E+01 -.592E+01 -.107E+02 -.270E-02 -.250E-03 -.100E-02
-.722E+02 -.151E+03 -.922E+00 0.611E+02 0.171E+03 -.398E+00 0.111E+02 -.198E+02 0.132E+01 0.284E-02 -.724E-03 -.963E-03
-.834E+02 0.493E+02 0.344E+02 0.754E+02 -.435E+02 -.424E+02 0.802E+01 -.586E+01 0.799E+01 0.489E-04 -.331E-03 -.925E-03
0.528E+02 -.728E+02 -.202E+02 -.512E+02 0.713E+02 0.190E+02 -.156E+01 0.154E+01 0.110E+01 0.214E-03 -.657E-03 0.505E-03
0.977E+02 -.101E+03 -.552E+02 -.948E+02 0.102E+03 0.576E+02 -.286E+01 -.138E+01 -.237E+01 0.734E-03 -.388E-03 0.739E-03
-.364E+02 0.618E+02 0.394E+02 0.467E+02 -.843E+02 -.382E+02 -.104E+02 0.225E+02 -.125E+01 0.349E-03 0.270E-02 0.115E-02
-.561E+02 -.157E+03 -.597E+02 0.690E+02 0.161E+03 0.627E+02 -.129E+02 -.453E+01 -.312E+01 -.778E-03 0.225E-02 -.537E-03
0.127E+03 -.257E+02 0.139E+03 -.134E+03 0.245E+02 -.157E+03 0.610E+01 0.120E+01 0.185E+02 -.201E-03 -.104E-03 -.731E-03
0.132E+03 -.124E+03 -.283E+02 -.153E+03 0.113E+03 0.892E+01 0.213E+02 0.104E+02 0.194E+02 -.266E-03 0.133E-02 0.151E-02
-.778E+01 0.164E+03 0.122E+03 0.789E+01 -.176E+03 -.127E+03 -.110E+00 0.117E+02 0.516E+01 0.312E-03 -.131E-03 -.129E-02
-.105E+03 -.499E+02 0.167E+02 0.108E+03 0.510E+02 -.262E+02 -.330E+01 -.110E+01 0.957E+01 0.483E-03 0.731E-03 -.725E-03
0.726E+02 -.279E+02 0.997E+02 -.803E+02 0.311E+02 -.960E+02 0.772E+01 -.315E+01 -.367E+01 0.763E-03 0.155E-02 -.153E-02
-.124E+02 0.598E+01 0.184E+03 0.210E+01 -.274E+01 -.185E+03 0.101E+02 -.323E+01 0.173E+01 -.997E-03 0.138E-02 -.166E-02
0.206E+02 0.933E+00 0.146E+03 -.225E+02 -.168E+01 -.152E+03 0.197E+01 0.743E+00 0.559E+01 0.170E-02 0.778E-03 -.116E-02
-.177E+02 0.173E+03 -.845E+02 0.205E+02 -.176E+03 0.993E+02 -.282E+01 0.300E+01 -.147E+02 -.165E-02 -.742E-03 0.694E-03
-.599E+02 0.197E+03 -.579E+02 0.623E+02 -.208E+03 0.683E+02 -.252E+01 0.117E+02 -.105E+02 -.154E-02 -.258E-02 0.470E-03
0.271E+02 0.154E+03 -.623E+02 -.426E+02 -.160E+03 0.686E+02 0.155E+02 0.647E+01 -.621E+01 -.219E-03 -.475E-03 0.224E-02
0.960E+02 0.206E+02 -.960E+02 -.102E+03 -.193E+02 0.898E+02 0.587E+01 -.122E+01 0.618E+01 -.366E-02 0.748E-03 0.124E-02
0.100E+03 0.118E+03 -.448E+02 -.105E+03 -.129E+03 0.401E+02 0.541E+01 0.105E+02 0.471E+01 -.303E-02 -.989E-03 0.239E-03
-.110E+03 0.842E+02 -.286E+02 0.108E+03 -.886E+02 0.320E+02 0.189E+01 0.434E+01 -.333E+01 -.166E-03 0.609E-03 -.456E-03
-.499E+02 -.338E+02 0.794E+02 0.440E+02 0.364E+02 -.769E+02 0.596E+01 -.256E+01 -.247E+01 -.181E-02 0.630E-03 -.132E-02
-.540E+02 0.125E+03 0.169E+03 0.528E+02 -.137E+03 -.179E+03 0.119E+01 0.118E+02 0.107E+02 -.128E-02 0.242E-03 0.965E-03
-.773E+02 0.440E+02 0.170E+02 0.776E+02 -.506E+02 -.160E+02 -.362E+00 0.659E+01 -.104E+01 -.137E-02 0.772E-03 -.271E-02
0.361E+02 0.708E+02 0.507E+02 -.342E+02 -.791E+02 -.536E+02 -.193E+01 0.827E+01 0.283E+01 -.114E-02 0.185E-02 -.203E-02
0.782E+01 -.862E+01 -.279E+02 -.103E+02 0.118E+02 0.322E+02 0.246E+01 -.315E+01 -.422E+01 -.196E-02 0.124E-03 -.151E-02
-.538E+02 -.364E+02 0.239E+02 0.645E+02 0.315E+02 -.391E+02 -.107E+02 0.496E+01 0.151E+02 0.818E-03 0.244E-02 -.206E-03
0.153E+02 -.500E+02 -.555E+02 -.215E+02 0.539E+02 0.570E+02 0.614E+01 -.390E+01 -.145E+01 -.185E-02 0.227E-02 -.185E-02
0.494E+02 -.192E+03 -.760E+02 -.636E+02 0.215E+03 0.979E+02 0.142E+02 -.230E+02 -.217E+02 -.162E-04 0.374E-02 0.807E-03
-.617E+02 -.557E+02 -.206E+02 0.702E+02 0.478E+02 0.217E+02 -.856E+01 0.788E+01 -.118E+01 -.166E-02 0.295E-02 -.167E-02
-.174E+02 0.161E+02 -.134E+03 0.341E+02 -.219E+02 0.119E+03 -.167E+02 0.583E+01 0.144E+02 -.470E-02 0.641E-03 0.200E-02
0.119E+03 0.159E+03 0.117E+03 -.128E+03 -.172E+03 -.129E+03 0.855E+01 0.133E+02 0.122E+02 -.772E-03 -.521E-03 0.224E-02
-.661E+02 -.393E+02 -.841E+01 0.657E+02 0.376E+02 0.436E+01 0.424E+00 0.174E+01 0.405E+01 -.242E-03 0.334E-03 0.294E-04
0.566E+02 0.173E+02 0.399E+02 -.588E+02 -.162E+02 -.393E+02 0.220E+01 -.111E+01 -.596E+00 0.754E-03 0.485E-05 0.129E-02
-.603E+02 -.276E+02 -.339E+02 0.601E+02 0.270E+02 0.331E+02 0.134E+00 0.604E+00 0.805E+00 0.145E-03 0.462E-04 0.125E-04
0.131E+02 -.118E+03 -.711E+02 -.189E+02 0.120E+03 0.740E+02 0.588E+01 -.233E+01 -.282E+01 0.666E-03 -.272E-03 0.126E-03
-.456E+01 -.745E+02 -.355E+02 -.128E+01 0.701E+02 0.298E+02 0.580E+01 0.440E+01 0.568E+01 -.771E-03 0.601E-03 -.449E-03
-.863E+02 -.983E+02 -.361E+02 0.969E+02 0.923E+02 0.311E+02 -.106E+02 0.608E+01 0.489E+01 -.773E-03 0.238E-02 -.201E-02
0.559E+01 0.223E+03 -.691E+02 -.768E+01 -.214E+03 0.106E+03 0.211E+01 -.907E+01 -.371E+02 0.153E-02 -.109E-02 -.679E-04
-.705E+02 0.479E+02 -.539E+02 0.929E+02 -.430E+02 0.542E+02 -.223E+02 -.503E+01 -.304E+00 0.125E-02 -.377E-02 -.503E-03
-.187E+02 0.321E+03 0.151E+03 0.196E+02 -.349E+03 -.161E+03 -.788E+00 0.278E+02 0.101E+02 0.217E-02 -.298E-02 -.138E-02
0.167E+03 0.261E+02 0.616E+02 -.173E+03 -.406E+01 -.556E+02 0.556E+01 -.221E+02 -.604E+01 0.122E-02 -.324E-02 -.386E-03
-.136E+03 0.337E+02 0.458E+00 0.156E+03 -.149E+02 0.260E+02 -.201E+02 -.188E+02 -.263E+02 0.752E-03 0.163E-02 0.121E-02
0.668E+02 -.180E+03 -.565E+02 -.713E+02 0.200E+03 0.515E+02 0.454E+01 -.204E+02 0.494E+01 0.680E-03 0.121E-03 0.101E-02
-.350E+02 0.862E+02 0.574E+02 0.413E+02 -.905E+02 -.573E+02 -.632E+01 0.428E+01 -.157E+00 0.634E-03 -.103E-02 -.138E-02
-.806E+02 -.123E+02 0.390E+02 0.884E+02 0.165E+02 -.374E+02 -.778E+01 -.432E+01 -.167E+01 -.709E-03 -.119E-02 -.232E-02
0.438E+02 0.273E+02 0.924E+02 -.498E+02 -.302E+02 -.102E+03 0.601E+01 0.297E+01 0.930E+01 -.650E-03 -.111E-02 -.156E-03
0.977E+02 0.455E+02 0.608E+02 -.986E+02 -.471E+02 -.420E+02 0.439E+00 0.161E+01 -.191E+02 -.187E-02 0.909E-04 -.322E-02
0.359E+02 0.129E+03 0.617E+02 -.367E+02 -.131E+03 -.621E+02 0.780E+00 0.211E+01 0.455E+00 0.116E-02 -.190E-02 -.102E-02
0.168E+02 0.798E+02 0.565E+02 -.136E+02 -.698E+02 -.586E+02 -.322E+01 -.998E+01 0.208E+01 -.452E-03 -.135E-02 -.945E-03
0.103E+03 -.331E+02 -.773E+02 -.107E+03 0.299E+02 0.765E+02 0.424E+01 0.315E+01 0.891E+00 0.692E-03 -.300E-02 0.114E-02
-.574E+02 0.730E+02 0.333E+02 0.737E+02 -.716E+02 -.341E+02 -.162E+02 -.151E+01 0.736E+00 -.279E-03 -.291E-02 -.203E-02
0.102E+03 0.162E+02 -.129E+03 -.116E+03 -.207E+02 0.142E+03 0.134E+02 0.456E+01 -.132E+02 -.500E-03 0.436E-03 0.207E-02
-.218E+01 -.220E+02 -.462E+02 0.153E+01 0.242E+02 0.482E+02 0.639E+00 -.217E+01 -.207E+01 -.919E-03 -.160E-02 -.172E-03
0.516E+02 -.932E+02 -.397E+02 -.452E+02 0.938E+02 0.413E+02 -.648E+01 -.538E+00 -.170E+01 -.638E-03 0.349E-03 0.670E-03
0.151E+03 -.247E+02 -.469E+02 -.168E+03 0.260E+02 0.457E+02 0.167E+02 -.143E+01 0.136E+01 -.130E-03 -.204E-02 0.277E-02
-.133E+02 -.107E+03 -.112E+02 0.102E+02 0.105E+03 0.590E+01 0.319E+01 0.176E+01 0.543E+01 0.150E-02 0.481E-03 0.116E-02
-.812E+02 0.371E+02 0.119E+03 0.969E+02 -.442E+02 -.128E+03 -.157E+02 0.713E+01 0.896E+01 0.119E-02 0.141E-02 0.432E-03
0.387E+02 -.113E+03 0.484E+02 -.513E+02 0.122E+03 -.532E+02 0.127E+02 -.819E+01 0.490E+01 0.160E-02 0.215E-02 0.909E-03
0.570E+02 -.128E+03 -.115E+03 -.582E+02 0.137E+03 0.114E+03 0.113E+01 -.889E+01 0.464E+00 0.387E-03 0.152E-02 -.381E-04
-.230E+02 -.153E+03 0.582E+02 0.212E+02 0.161E+03 -.751E+02 0.191E+01 -.752E+01 0.169E+02 0.359E-02 0.283E-02 0.102E-02
0.246E+02 -.106E+03 -.768E+02 -.268E+02 0.115E+03 0.752E+02 0.219E+01 -.856E+01 0.162E+01 0.112E-02 -.302E-03 0.171E-02
-.529E+02 0.274E+02 -.186E+03 0.429E+02 -.168E+02 0.222E+03 0.968E+01 -.104E+02 -.357E+02 -.249E-02 0.273E-02 -.115E-02
0.279E+02 -.181E+02 -.520E+02 -.375E+02 0.189E+02 0.486E+02 0.967E+01 -.682E+00 0.348E+01 -.581E-03 0.728E-03 -.153E-03
-.485E+02 0.117E+03 -.313E+02 0.502E+02 -.119E+03 0.328E+02 -.175E+01 0.162E+01 -.148E+01 -.812E-03 -.150E-02 0.141E-02
-.456E+02 -.147E+02 -.193E+02 0.477E+02 0.241E+02 0.183E+02 -.210E+01 -.936E+01 0.988E+00 -.485E-03 0.198E-03 0.921E-03
0.213E+03 -.104E+03 -.141E+02 -.247E+03 0.954E+02 -.167E+01 0.334E+02 0.851E+01 0.159E+02 0.397E-03 0.350E-02 0.303E-02
-.169E+03 -.157E+03 -.415E+02 0.179E+03 0.189E+03 0.323E+02 -.105E+02 -.320E+02 0.911E+01 -.222E-03 0.576E-03 0.864E-03
-.101E+03 0.154E+03 -.592E+02 0.996E+02 -.169E+03 0.711E+02 0.102E+01 0.145E+02 -.120E+02 -.437E-03 -.110E-02 -.154E-02
-.281E+03 0.134E+03 0.108E+03 0.313E+03 -.141E+03 -.894E+02 -.315E+02 0.740E+01 -.191E+02 0.115E-02 -.119E-02 -.348E-02
-.887E+02 0.889E+02 0.171E+02 0.895E+02 -.775E+02 -.127E+02 -.792E+00 -.114E+02 -.442E+01 0.856E-03 -.303E-02 -.122E-02
-.429E+02 -.272E+02 0.831E+02 0.398E+02 0.372E+02 -.884E+02 0.310E+01 -.100E+02 0.529E+01 -.775E-03 0.129E-02 -.154E-02
0.309E+02 0.156E+03 -.635E+02 -.325E+02 -.182E+03 0.856E+02 0.158E+01 0.260E+02 -.221E+02 -.406E-03 0.256E-02 -.122E-02
-.327E+02 0.157E+03 0.371E+02 0.337E+02 -.166E+03 -.371E+02 -.105E+01 0.813E+01 -.316E-02 0.955E-04 -.320E-02 0.471E-03
0.594E+01 0.697E+02 0.975E+02 -.604E+01 -.671E+02 -.997E+02 0.130E+00 -.266E+01 0.214E+01 0.118E-02 -.237E-02 -.501E-03
-.661E+02 0.309E+03 0.114E+03 0.735E+02 -.334E+03 -.122E+03 -.744E+01 0.249E+02 0.763E+01 0.176E-02 -.343E-02 -.930E-03
-.465E+02 -.270E+02 0.738E+02 0.516E+02 0.324E+02 -.774E+02 -.518E+01 -.541E+01 0.359E+01 0.965E-03 -.330E-02 -.527E-03
-.954E+02 -.148E+03 -.518E+01 0.976E+02 0.163E+03 -.153E+01 -.219E+01 -.153E+02 0.666E+01 0.307E-02 0.241E-03 -.386E-03
-.945E+02 -.176E+02 -.123E+03 0.101E+03 0.236E+02 0.131E+03 -.615E+01 -.596E+01 -.849E+01 0.655E-03 0.844E-03 0.186E-02
-.585E+02 -.378E+02 0.318E+02 0.668E+02 0.429E+02 -.434E+02 -.819E+01 -.511E+01 0.116E+02 0.268E-02 -.125E-02 0.143E-02
-.329E+02 0.418E+02 -.791E+02 0.332E+02 -.400E+02 0.821E+02 -.303E+00 -.173E+01 -.297E+01 0.513E-03 -.107E-02 0.297E-03
0.210E+02 -.855E+02 -.947E+02 -.176E+02 0.104E+03 0.906E+02 -.336E+01 -.183E+02 0.422E+01 0.800E-03 -.324E-02 0.168E-02
-.175E+02 -.180E+01 -.146E+02 0.177E+02 0.201E+01 0.179E+02 -.127E+00 -.215E+00 -.324E+01 0.227E-03 0.782E-04 -.865E-04
-.326E+02 0.685E+01 0.101E+02 0.347E+02 -.797E+01 -.123E+02 -.207E+01 0.112E+01 0.223E+01 0.166E-03 -.206E-04 -.144E-03
0.929E+01 -.328E+02 -.135E+02 -.985E+01 0.355E+02 0.150E+02 0.594E+00 -.271E+01 -.156E+01 0.340E-05 -.132E-03 0.733E-05
-.750E+01 -.124E+02 -.637E+02 0.860E+01 0.104E+02 0.688E+02 -.109E+01 0.193E+01 -.515E+01 -.179E-03 0.156E-03 -.321E-04
-.305E+02 0.653E+01 0.936E+00 0.337E+02 -.706E+01 -.841E+00 -.313E+01 0.521E+00 -.808E-01 -.266E-04 -.809E-04 0.235E-04
0.540E+02 -.297E+02 -.123E+02 -.593E+02 0.317E+02 0.123E+02 0.531E+01 -.198E+01 0.300E-01 -.263E-04 0.144E-03 0.181E-03
0.144E+02 0.228E+02 -.366E+02 -.142E+02 -.253E+02 0.380E+02 -.198E+00 0.256E+01 -.141E+01 -.507E-03 -.382E-04 0.535E-03
0.275E+02 -.829E+01 -.376E+02 -.294E+02 0.101E+02 0.391E+02 0.192E+01 -.174E+01 -.153E+01 -.412E-03 -.475E-04 0.404E-03
-.195E+02 0.138E+02 0.325E+02 0.214E+02 -.152E+02 -.344E+02 -.190E+01 0.133E+01 0.193E+01 -.326E-03 0.664E-04 0.943E-04
-.579E+01 0.320E+02 0.234E+02 0.737E+01 -.343E+02 -.250E+02 -.159E+01 0.226E+01 0.158E+01 0.255E-03 -.192E-03 -.110E-03
0.855E+01 -.361E+02 -.270E+02 -.878E+01 0.379E+02 0.286E+02 0.266E+00 -.188E+01 -.159E+01 -.231E-04 -.716E-05 0.227E-03
-.219E+02 -.188E+02 0.176E+02 0.246E+02 0.196E+02 -.193E+02 -.267E+01 -.833E+00 0.168E+01 0.273E-03 -.279E-03 0.342E-04
0.123E+00 -.355E+01 0.164E+02 -.139E+01 0.323E+01 -.173E+02 0.125E+01 0.321E+00 0.870E+00 0.189E-03 0.793E-04 -.175E-03
-.155E+02 0.167E+02 -.304E+02 0.159E+02 -.192E+02 0.321E+02 -.453E+00 0.254E+01 -.171E+01 0.433E-03 0.127E-03 -.744E-04
-.201E+02 0.669E+01 -.250E+02 0.220E+02 -.819E+01 0.267E+02 -.194E+01 0.153E+01 -.178E+01 -.966E-04 -.681E-04 0.386E-03
-.265E+02 0.133E+00 -.256E+02 0.290E+02 0.257E+00 0.273E+02 -.254E+01 -.406E+00 -.174E+01 -.601E-04 0.104E-04 0.856E-04
-.354E+02 -.355E+02 -.525E+02 0.374E+02 0.389E+02 0.565E+02 -.198E+01 -.343E+01 -.399E+01 0.177E-03 0.356E-03 0.830E-04
-.523E+02 0.195E+02 0.512E+00 0.567E+02 -.227E+02 -.242E+01 -.428E+01 0.310E+01 0.189E+01 0.395E-04 0.555E-03 0.166E-03
0.138E+02 -.187E+01 -.158E+01 -.162E+02 0.357E+01 0.125E+01 0.240E+01 -.172E+01 0.314E+00 -.458E-04 -.274E-03 0.181E-04
0.202E+02 0.144E+01 -.139E+02 -.226E+02 -.219E+01 0.158E+02 0.236E+01 0.736E+00 -.190E+01 0.458E-04 -.111E-03 -.203E-03
0.198E+02 0.302E+02 -.182E+01 -.210E+02 -.328E+02 0.306E+01 0.114E+01 0.255E+01 -.125E+01 -.412E-04 -.176E-03 0.103E-03
0.603E+01 -.267E+02 -.358E+02 -.822E+01 0.289E+02 0.401E+02 0.216E+01 -.216E+01 -.431E+01 0.367E-03 -.740E-04 -.291E-03
-.579E+02 -.125E+02 -.238E+02 0.624E+02 0.135E+02 0.260E+02 -.463E+01 -.103E+01 -.226E+01 0.221E-03 -.207E-03 -.667E-04
0.350E+02 0.179E+02 -.101E+02 -.389E+02 -.202E+02 0.132E+02 0.383E+01 0.226E+01 -.305E+01 0.977E-04 0.141E-03 0.263E-04
0.213E+02 -.403E+02 0.349E+02 -.232E+02 0.443E+02 -.376E+02 0.195E+01 -.406E+01 0.268E+01 0.191E-03 0.271E-03 0.742E-04
-.938E+00 -.737E+02 -.112E+02 0.183E+01 0.788E+02 0.118E+02 -.889E+00 -.515E+01 -.605E+00 -.222E-03 0.132E-03 -.275E-03
0.276E+02 -.304E+02 0.132E+02 -.315E+02 0.336E+02 -.148E+02 0.387E+01 -.318E+01 0.167E+01 -.177E-03 0.112E-03 0.746E-05
0.126E+02 0.520E+02 0.672E+01 -.143E+02 -.569E+02 -.611E+01 0.166E+01 0.493E+01 -.613E+00 0.832E-04 -.140E-03 0.267E-03
0.206E+02 -.559E+02 0.149E+02 -.233E+02 0.594E+02 -.176E+02 0.267E+01 -.351E+01 0.277E+01 -.136E-03 0.555E-04 0.278E-03
0.609E+02 0.178E+02 0.118E+02 -.661E+02 -.188E+02 -.111E+02 0.513E+01 0.975E+00 -.749E+00 -.243E-03 0.478E-04 -.211E-03
0.413E+02 0.230E+02 0.509E+02 -.441E+02 -.253E+02 -.543E+02 0.282E+01 0.239E+01 0.344E+01 -.134E-04 -.788E-04 -.162E-03
-.493E+02 0.980E+01 0.429E+02 0.533E+02 -.114E+02 -.463E+02 -.391E+01 0.153E+01 0.333E+01 -.195E-03 -.657E-04 -.410E-03
0.125E+02 -.236E+02 -.347E+02 -.154E+02 0.264E+02 0.384E+02 0.284E+01 -.270E+01 -.363E+01 -.759E-04 0.382E-04 0.679E-04
-.356E+02 -.735E+01 -.288E+02 0.406E+02 0.764E+01 0.300E+02 -.510E+01 -.305E+00 -.123E+01 -.445E-03 -.119E-03 0.244E-03
0.171E+02 0.660E+02 -.330E+02 -.191E+02 -.702E+02 0.356E+02 0.199E+01 0.415E+01 -.256E+01 -.347E-03 -.709E-04 0.175E-03
0.720E+01 0.463E+02 -.647E+01 -.686E+01 -.515E+02 0.718E+01 -.346E+00 0.513E+01 -.719E+00 0.177E-05 0.211E-03 0.925E-04
-.305E+02 -.165E+02 0.530E+02 0.318E+02 0.182E+02 -.579E+02 -.131E+01 -.169E+01 0.481E+01 -.199E-03 0.225E-03 0.259E-04
-.120E+01 -.520E+02 0.442E+02 0.187E+00 0.545E+02 -.485E+02 0.100E+01 -.253E+01 0.444E+01 0.189E-03 0.595E-03 -.124E-04
0.153E+02 -.445E+02 -.575E+01 -.157E+02 0.493E+02 0.326E+01 0.382E+00 -.476E+01 0.248E+01 -.210E-03 0.198E-03 0.392E-03
-.517E+02 0.205E+02 -.684E+01 0.566E+02 -.221E+02 0.739E+01 -.502E+01 0.162E+01 -.532E+00 0.179E-03 -.455E-04 0.144E-04
0.732E+01 -.709E+02 -.173E+02 -.707E+01 0.760E+02 0.178E+02 -.254E+00 -.511E+01 -.499E+00 -.366E-04 -.130E-04 -.898E-04
-.428E+01 0.498E+02 0.313E+01 0.580E+01 -.548E+02 -.392E+01 -.152E+01 0.494E+01 0.784E+00 -.160E-03 0.152E-03 0.237E-03
0.345E+02 0.564E+02 0.267E+02 -.367E+02 -.600E+02 -.295E+02 0.214E+01 0.372E+01 0.286E+01 0.523E-04 -.316E-03 -.490E-04
-.147E+02 0.382E+02 -.277E+02 0.172E+02 -.427E+02 0.283E+02 -.257E+01 0.451E+01 -.606E+00 0.329E-04 -.208E-03 0.927E-04
-.462E+02 0.180E+02 0.377E+02 0.509E+02 -.197E+02 -.396E+02 -.466E+01 0.167E+01 0.189E+01 0.117E-03 -.468E-04 -.710E-04
-.126E+02 0.445E+02 0.169E+01 0.123E+02 -.499E+02 -.197E+01 0.356E+00 0.539E+01 0.284E+00 0.818E-04 -.728E-04 -.142E-03
0.448E+01 -.618E+02 0.154E+02 -.486E+01 0.668E+02 -.172E+02 0.375E+00 -.496E+01 0.180E+01 0.278E-03 0.227E-03 0.217E-03
-.354E+02 0.746E+01 0.395E+02 0.388E+02 -.842E+01 -.436E+02 -.330E+01 0.929E+00 0.396E+01 -.140E-03 -.757E-05 -.187E-03
0.394E+02 0.135E+02 0.351E+02 -.428E+02 -.159E+02 -.379E+02 0.347E+01 0.254E+01 0.287E+01 0.316E-03 -.281E-03 -.165E-03
-.312E+02 0.273E+02 -.290E+02 0.335E+02 -.296E+02 0.328E+02 -.238E+01 0.232E+01 -.390E+01 0.103E-03 0.494E-04 -.247E-03
0.176E+01 -.313E+02 0.370E+02 -.279E+01 0.339E+02 -.415E+02 0.102E+01 -.257E+01 0.460E+01 0.563E-03 -.174E-03 0.215E-03
0.427E+02 0.297E+02 0.193E+02 -.479E+02 -.306E+02 -.194E+02 0.521E+01 0.851E+00 0.395E-02 -.765E-05 0.502E-04 -.164E-03
0.808E+01 0.339E+02 0.281E+02 -.904E+01 -.366E+02 -.325E+02 0.957E+00 0.279E+01 0.443E+01 0.109E-03 -.277E-03 0.375E-06
0.222E+02 -.423E+02 0.347E+01 -.244E+02 0.469E+02 -.137E+01 0.217E+01 -.451E+01 -.209E+01 -.149E-03 -.409E-03 -.625E-04
0.155E+02 0.381E+02 -.435E+02 -.166E+02 -.418E+02 0.473E+02 0.115E+01 0.364E+01 -.372E+01 0.160E-04 -.222E-03 0.125E-03
-.451E+02 0.400E+02 0.320E+02 0.466E+02 -.440E+02 -.354E+02 -.148E+01 0.401E+01 0.335E+01 0.755E-04 -.228E-03 -.163E-03
-.582E+02 -.307E+02 0.553E+01 0.629E+02 0.328E+02 -.561E+01 -.470E+01 -.214E+01 0.116E+00 0.301E-03 -.822E-05 -.169E-03
-.184E+02 -.178E+02 0.456E+02 0.192E+02 0.189E+02 -.508E+02 -.816E+00 -.110E+01 0.519E+01 0.176E-03 -.180E-03 -.217E-03
0.362E+02 -.286E+01 0.637E+02 -.385E+02 0.375E+01 -.681E+02 0.234E+01 -.918E+00 0.454E+01 0.239E-03 -.598E-05 -.202E-06
-.243E+02 -.264E+02 -.316E+02 0.276E+02 0.285E+02 0.348E+02 -.330E+01 -.219E+01 -.336E+01 -.240E-03 0.247E-03 -.599E-04
0.348E+02 -.175E+02 0.343E+02 -.375E+02 0.172E+02 -.385E+02 0.274E+01 0.339E+00 0.431E+01 -.257E-03 0.230E-03 -.125E-03
0.176E+02 0.250E+02 -.346E+02 -.201E+02 -.278E+02 0.386E+02 0.241E+01 0.274E+01 -.388E+01 -.117E-03 0.161E-03 0.156E-03
-.123E+02 0.564E+01 0.494E+02 0.148E+02 -.566E+01 -.542E+02 -.242E+01 0.184E-01 0.471E+01 0.156E-03 -.254E-06 0.106E-03
-.175E+02 -.547E+02 -.536E+02 0.193E+02 0.575E+02 0.575E+02 -.181E+01 -.279E+01 -.400E+01 -.274E-03 0.115E-04 0.708E-04
0.175E+02 -.280E+01 0.579E+02 -.171E+02 0.453E+01 -.630E+02 -.468E+00 -.172E+01 0.501E+01 -.228E-03 -.511E-04 -.106E-03
-.241E+02 0.459E+02 0.320E+01 0.274E+02 -.497E+02 -.193E+01 -.336E+01 0.381E+01 -.126E+01 0.169E-03 -.153E-04 -.108E-03
-.278E+02 -.422E+02 0.645E+01 0.282E+02 0.474E+02 -.614E+01 -.404E+00 -.525E+01 -.306E+00 -.305E-03 0.845E-04 -.230E-03
-.555E+02 -.748E+01 -.196E+02 0.602E+02 0.834E+01 0.211E+02 -.486E+01 -.878E+00 -.149E+01 0.456E-04 0.687E-04 0.383E-04
0.271E+02 -.295E+02 -.543E+02 -.294E+02 0.327E+02 0.578E+02 0.225E+01 -.314E+01 -.349E+01 -.326E-03 0.139E-03 0.200E-03
-.181E+02 0.452E+02 0.260E+02 0.203E+02 -.474E+02 -.305E+02 -.216E+01 0.212E+01 0.443E+01 -.283E-03 -.590E-04 0.393E-04
-.313E+02 -.257E+02 -.401E+02 0.343E+02 0.274E+02 0.437E+02 -.310E+01 -.178E+01 -.371E+01 -.136E-04 0.195E-03 0.809E-04
-.571E+02 0.619E+01 -.128E+02 0.616E+02 -.727E+01 0.149E+02 -.459E+01 0.113E+01 -.213E+01 -.239E-03 0.293E-03 0.313E-04
-.199E+02 -.563E+02 -.218E+02 0.211E+02 0.600E+02 0.252E+02 -.117E+01 -.376E+01 -.341E+01 0.293E-03 0.584E-03 -.570E-04
-.344E+01 -.109E+02 -.648E+02 0.507E+01 0.118E+02 0.696E+02 -.163E+01 -.933E+00 -.489E+01 -.343E-03 0.166E-03 0.293E-03
0.262E+02 0.267E+02 -.382E+02 -.288E+02 -.297E+02 0.419E+02 0.260E+01 0.296E+01 -.366E+01 0.127E-03 -.158E-03 0.338E-04
0.314E+02 -.134E+02 -.515E+02 -.339E+02 0.119E+02 0.560E+02 0.248E+01 0.142E+01 -.437E+01 -.210E-03 0.302E-04 -.635E-04
-.314E+02 -.191E+02 0.350E+02 0.353E+02 0.217E+02 -.378E+02 -.382E+01 -.261E+01 0.272E+01 0.117E-03 0.171E-03 0.102E-03
0.580E+02 0.754E+01 -.230E+02 -.622E+02 -.488E+01 0.251E+02 0.413E+01 -.260E+01 -.203E+01 -.130E-03 -.309E-03 -.162E-04
0.438E+02 -.247E+01 0.264E+02 -.463E+02 0.166E+01 -.306E+02 0.254E+01 0.828E+00 0.429E+01 0.857E-04 -.343E-03 0.316E-03
0.289E+02 0.367E+02 0.236E+02 -.322E+02 -.403E+02 -.250E+02 0.337E+01 0.371E+01 0.131E+01 0.499E-04 -.115E-03 -.710E-04
-.551E+02 -.696E+01 0.153E+02 0.601E+02 0.805E+01 -.169E+02 -.492E+01 -.107E+01 0.164E+01 0.214E-03 -.450E-04 -.173E-03
-.225E+02 -.208E+02 -.434E+02 0.246E+02 0.215E+02 0.479E+02 -.212E+01 -.797E+00 -.464E+01 0.344E-03 0.211E-03 0.926E-04
-.560E+01 -.602E+02 -.158E+01 0.528E+01 0.654E+02 0.167E+01 0.327E+00 -.522E+01 -.100E+00 -.154E-03 0.196E-03 -.178E-03
0.301E+02 -.210E+02 -.307E+02 -.331E+02 0.227E+02 0.350E+02 0.292E+01 -.169E+01 -.412E+01 0.416E-03 -.154E-03 -.203E-03
0.373E+02 0.132E+02 -.240E+01 -.422E+02 -.148E+02 0.284E+01 0.491E+01 0.164E+01 -.471E+00 0.165E-03 0.310E-03 -.991E-04
0.142E+02 0.338E+02 0.560E+01 -.160E+02 -.386E+02 -.655E+01 0.177E+01 0.485E+01 0.944E+00 0.490E-03 -.765E-04 0.152E-03
-.227E+02 0.338E+02 0.600E+02 0.244E+02 -.357E+02 -.647E+02 -.168E+01 0.186E+01 0.470E+01 0.114E-03 0.300E-04 -.432E-03
0.509E+02 -.159E+02 -.305E+02 -.557E+02 0.179E+02 0.318E+02 0.471E+01 -.200E+01 -.126E+01 0.563E-05 -.190E-03 0.179E-03
-.397E+02 -.170E+02 0.408E+02 0.442E+02 0.185E+02 -.438E+02 -.433E+01 -.143E+01 0.293E+01 -.375E-04 -.300E-03 -.128E-03
-.482E+02 -.622E+01 -.198E+02 0.532E+02 0.707E+01 0.206E+02 -.509E+01 -.843E+00 -.804E+00 0.290E-04 -.244E-03 0.501E-04
-.692E+02 -.607E+01 -.191E+02 0.736E+02 0.740E+01 0.212E+02 -.452E+01 -.137E+01 -.215E+01 0.660E-04 0.823E-04 -.583E-04
0.223E+02 -.123E+02 -.343E+02 -.238E+02 0.125E+02 0.397E+02 0.151E+01 -.141E+00 -.533E+01 -.229E-03 0.262E-03 -.271E-03
-.210E+02 0.343E+02 0.200E+02 0.239E+02 -.389E+02 -.206E+02 -.292E+01 0.462E+01 0.682E+00 -.242E-03 0.181E-03 -.390E-03
-.257E+02 -.305E+02 0.739E+01 0.292E+02 0.347E+02 -.822E+01 -.348E+01 -.419E+01 0.842E+00 -.161E-03 0.214E-03 -.220E-03
0.926E+01 -.436E+02 -.445E+02 -.878E+01 0.485E+02 0.465E+02 -.467E+00 -.495E+01 -.205E+01 -.337E-03 -.170E-03 0.521E-04
0.531E+02 -.122E+01 0.277E+00 -.578E+02 0.783E+00 -.249E+01 0.484E+01 0.446E+00 0.226E+01 -.210E-03 -.515E-04 0.121E-04
0.192E+01 0.308E+02 -.603E+02 -.168E+01 -.343E+02 0.644E+02 -.212E+00 0.352E+01 -.409E+01 -.313E-03 -.476E-04 0.114E-03
0.159E+02 -.170E+02 -.437E+02 -.163E+02 0.202E+02 0.481E+02 0.499E+00 -.323E+01 -.439E+01 -.456E-04 -.181E-03 0.599E-04
0.512E+02 -.208E+01 0.203E+02 -.555E+02 0.231E+01 -.230E+02 0.444E+01 -.228E+00 0.285E+01 -.174E-03 -.212E-03 -.156E-03
0.882E+01 0.478E+02 -.331E+02 -.823E+01 -.528E+02 0.349E+02 -.569E+00 0.497E+01 -.177E+01 -.152E-03 -.253E-03 0.410E-04
0.738E+01 0.363E+02 -.240E+02 -.516E+01 -.406E+02 0.264E+02 -.223E+01 0.440E+01 -.238E+01 0.120E-03 -.721E-05 0.136E-03
0.191E+02 -.243E+02 -.335E+02 -.180E+02 0.287E+02 0.368E+02 -.111E+01 -.442E+01 -.334E+01 0.869E-04 0.743E-04 0.145E-03
0.666E+02 0.999E+01 -.224E+01 -.717E+02 -.108E+02 0.213E+01 0.512E+01 0.802E+00 0.835E-01 -.178E-04 0.359E-04 0.111E-04
0.367E+02 -.178E+02 0.345E+02 -.417E+02 0.199E+02 -.355E+02 0.504E+01 -.205E+01 0.958E+00 0.142E-03 -.235E-03 0.236E-04
-.163E+02 -.350E+02 0.914E+01 0.197E+02 0.393E+02 -.833E+01 -.340E+01 -.427E+01 -.806E+00 0.713E-04 -.394E-04 0.162E-04
0.428E+00 0.265E+02 0.568E+02 0.105E+01 -.291E+02 -.614E+02 -.146E+01 0.255E+01 0.451E+01 0.153E-04 -.106E-03 -.871E-04
0.441E+02 -.207E+02 0.112E+02 -.483E+02 0.237E+02 -.126E+02 0.431E+01 -.307E+01 0.150E+01 -.526E-04 -.820E-04 0.104E-03
0.902E+01 -.117E+02 -.363E+02 -.905E+01 0.114E+02 0.419E+02 0.417E-01 0.360E+00 -.556E+01 -.127E-03 -.123E-04 0.926E-04
-.362E+02 -.233E+02 0.120E+02 0.406E+02 0.263E+02 -.134E+02 -.437E+01 -.299E+01 0.141E+01 -.516E-04 0.406E-04 0.282E-04
0.239E+02 0.366E+02 0.619E+00 -.274E+02 -.408E+02 0.915E+00 0.352E+01 0.411E+01 -.152E+01 0.240E-03 0.213E-04 0.135E-03
0.286E+01 0.146E+02 0.436E+02 -.216E+01 -.145E+02 -.490E+02 -.709E+00 -.106E+00 0.538E+01 0.242E-03 -.949E-04 0.709E-04
-.446E+02 0.221E+02 -.174E+02 0.492E+02 -.235E+02 0.193E+02 -.468E+01 0.148E+01 -.192E+01 0.179E-03 -.743E-04 0.765E-04
0.163E+02 0.322E+02 0.152E+02 -.171E+02 -.369E+02 -.169E+02 0.771E+00 0.473E+01 0.170E+01 -.152E-03 0.568E-04 0.181E-03
0.399E+02 -.334E+02 0.324E+02 -.432E+02 0.365E+02 -.353E+02 0.338E+01 -.321E+01 0.294E+01 -.258E-03 -.103E-04 0.332E-03
-.260E+02 -.153E+02 0.225E+02 0.313E+02 0.167E+02 -.238E+02 -.531E+01 -.133E+01 0.131E+01 -.313E-03 -.101E-03 0.334E-03
-.138E+02 0.294E+02 0.247E+02 0.170E+02 -.336E+02 -.267E+02 -.314E+01 0.418E+01 0.195E+01 -.203E-04 -.269E-03 0.857E-04
-.498E+01 -.250E+01 -.346E+02 0.558E+01 0.228E+01 0.400E+02 -.594E+00 0.220E+00 -.538E+01 0.193E-03 -.180E-03 0.313E-04
0.459E+02 0.699E+01 0.290E+02 -.509E+02 -.816E+01 -.300E+02 0.509E+01 0.118E+01 0.105E+01 0.225E-03 -.312E-03 0.231E-05
0.376E+02 0.572E+01 -.214E+02 -.419E+02 -.733E+01 0.246E+02 0.421E+01 0.156E+01 -.312E+01 -.149E-03 0.237E-03 0.109E-04
-.193E+02 -.363E+02 -.313E+02 0.220E+02 0.403E+02 0.338E+02 -.271E+01 -.410E+01 -.253E+01 -.110E-03 0.272E-03 -.151E-03
0.238E+02 -.896E+01 0.284E+02 -.260E+02 0.112E+02 -.329E+02 0.218E+01 -.228E+01 0.458E+01 0.475E-04 0.332E-03 0.733E-04
-.580E+02 0.224E+01 -.444E+01 0.634E+02 -.371E+01 0.430E+01 -.531E+01 0.145E+01 0.156E+00 0.196E-03 0.161E-04 -.119E-03
0.930E+01 0.212E+02 -.225E+02 -.125E+02 -.258E+02 0.227E+02 0.322E+01 0.464E+01 -.228E+00 0.116E-03 -.161E-03 -.252E-04
-.381E+01 -.183E+02 -.578E+02 0.305E+01 0.206E+02 0.624E+02 0.764E+00 -.234E+01 -.463E+01 0.213E-03 -.156E-03 -.975E-04
-.493E+02 0.112E+02 -.150E+00 0.539E+02 -.140E+02 -.781E+00 -.458E+01 0.279E+01 0.934E+00 0.554E-03 0.173E-03 0.105E-03
-.170E+02 -.347E+02 -.506E+02 0.175E+02 0.371E+02 0.554E+02 -.434E+00 -.235E+01 -.476E+01 0.473E-03 0.244E-03 -.103E-03
0.213E+02 0.213E+02 -.547E+01 -.256E+02 -.247E+02 0.574E+01 0.431E+01 0.335E+01 -.277E+00 0.564E-03 0.278E-03 0.420E-04
-.160E+02 -.433E+02 -.447E+01 0.178E+02 0.480E+02 0.643E+01 -.186E+01 -.469E+01 -.196E+01 0.327E-04 0.199E-03 0.269E-03
-.409E+02 0.227E+02 0.437E+02 0.451E+02 -.253E+02 -.463E+02 -.413E+01 0.249E+01 0.253E+01 0.281E-03 0.793E-04 0.935E-04
0.284E+02 -.114E+02 0.390E+02 -.320E+02 0.125E+02 -.426E+02 0.369E+01 -.116E+01 0.363E+01 0.982E-04 0.235E-03 0.217E-03
0.358E+02 -.932E+01 0.250E+02 -.388E+02 0.117E+02 -.286E+02 0.306E+01 -.246E+01 0.364E+01 -.746E-04 0.150E-03 0.897E-04
0.892E+01 0.400E+02 0.130E+02 -.818E+01 -.452E+02 -.147E+02 -.742E+00 0.513E+01 0.169E+01 0.163E-04 0.194E-03 0.175E-03
0.362E+02 0.959E+01 -.467E+02 -.393E+02 -.990E+01 0.514E+02 0.297E+01 0.300E+00 -.460E+01 -.268E-04 0.157E-03 0.401E-03
0.842E+01 -.406E+02 0.304E+02 -.693E+01 0.453E+02 -.332E+02 -.147E+01 -.467E+01 0.273E+01 0.240E-03 -.649E-03 -.233E-03
0.396E+02 0.332E+02 0.434E+02 -.428E+02 -.357E+02 -.467E+02 0.325E+01 0.258E+01 0.329E+01 0.305E-03 -.522E-03 -.132E-03
0.342E+02 -.170E+02 -.140E+02 -.375E+02 0.185E+02 0.185E+02 0.326E+01 -.149E+01 -.445E+01 0.255E-03 -.671E-03 -.156E-03
-.252E+02 -.358E+02 0.108E+02 0.275E+02 0.402E+02 -.130E+02 -.229E+01 -.436E+01 0.223E+01 -.125E-04 -.782E-04 -.817E-04
-.279E+02 0.263E+02 -.364E+01 0.318E+02 -.298E+02 0.470E+01 -.397E+01 0.355E+01 -.106E+01 -.891E-04 -.161E-03 0.601E-04
0.178E+02 0.288E+02 0.211E+02 -.208E+02 -.311E+02 -.247E+02 0.312E+01 0.237E+01 0.374E+01 -.902E-04 -.154E-03 0.178E-04
-.269E+02 0.289E+02 -.255E+02 0.296E+02 -.330E+02 0.276E+02 -.267E+01 0.422E+01 -.208E+01 0.276E-03 -.365E-03 -.215E-04
-.403E+01 -.430E+02 -.337E+02 0.481E+01 0.471E+02 0.370E+02 -.765E+00 -.412E+01 -.329E+01 0.477E-03 -.411E-03 0.137E-05
0.342E+02 -.352E+01 -.319E+01 -.398E+02 0.225E+01 0.348E+01 0.560E+01 0.129E+01 -.312E+00 0.511E-03 -.524E-03 -.289E-04
0.426E+02 0.299E+02 0.156E+02 -.472E+02 -.315E+02 -.178E+02 0.471E+01 0.156E+01 0.223E+01 -.180E-03 -.262E-03 0.446E-04
-.348E+02 0.281E+02 0.281E+02 0.391E+02 -.300E+02 -.315E+02 -.411E+01 0.185E+01 0.326E+01 0.509E-05 -.269E-03 -.147E-03
0.611E+01 0.472E+02 -.481E+02 -.576E+01 -.496E+02 0.528E+02 -.322E+00 0.247E+01 -.472E+01 -.235E-03 -.325E-03 0.306E-04
-.533E+02 -.840E+01 -.295E+02 0.583E+02 0.773E+01 0.313E+02 -.502E+01 0.680E+00 -.175E+01 0.208E-03 0.202E-03 -.106E-03
0.342E+01 -.532E+02 0.143E+02 -.360E+01 0.580E+02 -.167E+02 0.173E+00 -.485E+01 0.232E+01 0.169E-03 -.221E-04 -.138E-03
0.300E+02 -.137E+02 -.451E+02 -.332E+02 0.138E+02 0.497E+02 0.318E+01 -.111E+00 -.447E+01 0.322E-04 0.645E-04 -.700E-04
-.156E+02 0.203E+02 -.436E+02 0.161E+02 -.232E+02 0.482E+02 -.470E+00 0.290E+01 -.460E+01 -.146E-03 -.354E-03 -.106E-03
-.528E+02 0.314E+01 0.979E+01 0.578E+02 -.322E+01 -.123E+02 -.485E+01 0.817E-01 0.246E+01 0.132E-05 -.306E-03 -.716E-04
0.916E+01 -.455E+02 -.188E+02 -.106E+02 0.505E+02 0.201E+02 0.141E+01 -.501E+01 -.136E+01 -.174E-03 -.246E-03 -.414E-04
0.108E+02 -.222E+02 -.430E+02 -.112E+02 0.231E+02 0.484E+02 0.409E+00 -.946E+00 -.542E+01 -.161E-04 0.320E-03 -.641E-04
0.102E+02 -.532E+02 0.196E+02 -.106E+02 0.581E+02 -.219E+02 0.393E+00 -.490E+01 0.232E+01 -.842E-04 0.255E-03 0.953E-04
0.344E+02 0.183E+02 0.167E+02 -.386E+02 -.212E+02 -.182E+02 0.422E+01 0.289E+01 0.149E+01 -.116E-03 0.133E-03 -.642E-04
0.237E+02 -.572E+02 -.644E+02 -.223E+02 0.615E+02 0.705E+02 -.141E+01 -.438E+01 -.629E+01 0.155E-03 0.414E-03 0.296E-03
0.826E+01 0.238E+02 -.407E+02 -.121E+02 -.272E+02 0.431E+02 0.382E+01 0.334E+01 -.240E+01 0.430E-04 0.551E-03 -.757E-04
-.339E+02 -.596E+02 -.103E+02 0.374E+02 0.640E+02 0.914E+01 -.345E+01 -.431E+01 0.114E+01 -.210E-03 0.201E-04 0.151E-03
-.228E+02 -.259E+01 0.903E+02 0.218E+02 0.514E+01 -.977E+02 0.108E+01 -.263E+01 0.763E+01 0.887E-04 -.487E-03 0.511E-04
0.228E+01 0.102E+03 0.407E+02 -.243E+01 -.110E+03 -.441E+02 0.152E+00 0.759E+01 0.334E+01 0.292E-03 0.818E-04 -.342E-04
-.294E+02 0.485E+02 0.639E+02 0.321E+02 -.527E+02 -.707E+02 -.262E+01 0.412E+01 0.675E+01 0.493E-04 0.478E-03 0.343E-03
-.582E+02 0.481E+02 0.112E+02 0.648E+02 -.527E+02 -.141E+02 -.639E+01 0.449E+01 0.271E+01 -.814E-04 0.215E-03 -.213E-03
0.372E+02 -.317E+02 0.118E+02 -.411E+02 0.359E+02 -.114E+02 0.388E+01 -.415E+01 -.426E+00 0.980E-04 0.332E-03 0.126E-04
-.208E+02 -.303E+01 0.602E+02 0.241E+02 0.396E+01 -.648E+02 -.315E+01 -.911E+00 0.453E+01 0.192E-03 0.474E-03 -.947E-04
0.188E+02 0.428E+02 0.976E+01 -.216E+02 -.478E+02 -.108E+02 0.282E+01 0.498E+01 0.100E+01 0.120E-03 0.560E-03 0.109E-03
-----------------------------------------------------------------------------------------------
-.177E+02 0.162E+02 0.288E+02 0.981E-12 -.315E-11 -.458E-12 0.177E+02 -.163E+02 -.287E+02 -.434E-03 -.940E-02 -.560E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.64373 1.48193 17.06638 -0.132308 0.013553 0.027459
4.49188 1.47588 6.57867 0.070693 -0.047381 0.035136
16.87533 4.72502 0.64158 -0.024020 0.048297 0.009602
5.32077 4.12218 5.03668 0.065092 -0.009895 0.130529
1.68315 1.81512 9.00366 -0.133592 -0.053987 -0.086382
4.78073 1.79564 13.44442 0.218334 -0.015724 -0.017789
1.60674 4.66970 10.60733 0.174791 -0.044827 0.084117
4.59961 4.61578 11.97867 -0.020793 0.018832 0.070819
0.26155 7.88754 17.00354 0.008398 -0.011224 -0.012855
4.32797 7.13290 6.13961 0.021788 -0.036050 -0.004033
1.15827 10.23284 2.22971 0.009534 -0.027622 -0.043137
4.20401 9.49033 3.74698 -0.092888 -0.039232 0.021969
1.45933 6.45003 7.93498 0.007300 -0.133113 0.008193
4.91452 6.83503 14.41651 0.087857 0.030508 -0.043673
5.04438 9.97579 13.84725 -0.001744 0.009036 -0.018859
1.38591 13.25080 0.04854 -0.039034 0.006653 -0.006190
4.47092 13.77444 7.04402 0.089650 0.003968 -0.012686
1.67872 15.88307 2.19144 0.053843 0.018946 -0.024456
4.12709 15.98214 4.64174 -0.101359 -0.028839 -0.039373
1.45733 14.59407 7.97608 0.013602 -0.018542 -0.090311
4.39332 13.02296 14.77624 0.061453 -0.017205 0.034800
1.58059 16.18603 10.72358 0.075740 -0.088147 -0.110465
4.62070 15.86266 12.36303 -0.056886 -0.012303 0.002300
6.86639 2.10591 15.68512 -0.009702 -0.050074 -0.103288
9.96332 1.59485 6.51653 0.095193 0.013934 -0.037633
7.05094 5.23290 2.92634 0.062534 0.018607 -0.057224
9.74208 4.05663 4.25296 -0.144603 0.037666 -0.032099
7.25509 1.45459 8.41420 -0.094404 -0.035197 0.008610
9.83727 2.04310 14.59776 0.065082 -0.104676 0.017742
7.49324 4.33935 9.97386 0.129577 -0.082279 0.125613
9.77373 4.37866 12.41759 0.097642 -0.215615 -0.194697
7.22790 7.00079 0.30999 -0.036268 -0.005962 -0.018251
9.96805 7.34479 5.63313 0.183582 0.070166 0.021532
6.97998 9.88662 2.00016 0.096717 0.039008 -0.064755
9.73905 10.17066 3.86365 -0.116965 -0.008306 0.008850
7.63392 6.85572 7.87824 -0.054694 -0.019223 0.094930
7.60882 11.16983 11.29989 0.053570 0.093821 0.083043
10.24313 11.36784 12.83864 -0.144747 0.171364 0.112401
7.14945 12.18739 16.59058 0.009583 0.002197 -0.006850
10.22702 13.24450 6.56283 0.022347 0.018539 -0.023401
7.10034 15.96830 3.30902 0.553283 -0.018233 0.249458
9.98140 15.98216 4.67096 -0.032071 0.024641 0.103754
7.45367 13.63918 8.59979 -0.024815 0.086598 0.031265
10.19193 13.78404 14.74813 0.069387 0.107855 0.015865
7.32741 16.13595 10.58470 0.156711 0.119861 0.085410
9.55810 16.50743 12.99747 -0.127620 -0.065354 -0.077266
12.29942 1.14929 16.68929 -0.060777 0.091628 -0.103562
15.94758 1.31234 7.49096 0.041613 -0.007976 -0.028490
14.06797 3.25857 1.45385 -0.019019 -0.148531 -0.089361
15.37252 2.99087 4.61581 0.072411 -0.026368 -0.002354
12.89450 1.79970 8.93272 -0.014241 -0.030500 -0.022047
15.41752 0.15011 15.53787 -0.012913 0.014795 0.081335
12.99719 3.86947 11.40450 -0.013400 -0.075265 -0.046457
15.87425 5.01795 12.22995 -0.139910 -0.025044 -0.038874
13.22426 8.02610 16.92840 0.125141 -0.143715 0.203956
16.98034 5.52157 5.53433 0.198471 -0.130052 0.044323
12.12921 10.55333 1.50819 0.079193 0.023856 -0.002004
16.78547 10.30471 5.11868 -0.012283 -0.063764 0.073298
15.25622 8.16963 14.35704 0.062340 0.023679 -0.037974
12.33023 12.13805 11.06399 0.053838 0.063539 0.104031
14.90309 11.26679 12.89780 -0.168356 0.000695 0.148623
12.59288 13.57082 16.80054 -0.088109 0.046526 -0.083722
16.01664 13.07069 6.76001 0.130347 0.079232 -0.002747
11.94633 16.25942 1.98827 0.043460 0.073504 -0.016320
14.34977 13.41383 4.27011 -0.005322 0.073825 0.069666
13.16072 13.25270 8.45761 -0.080818 0.075240 0.029776
15.62505 13.28241 15.23584 0.027187 -0.021761 -0.003673
13.60977 15.77069 10.65011 0.008819 0.046930 -0.033190
16.16001 15.95290 12.70017 -0.111525 -0.013331 -0.062289
1.36590 0.57109 1.55327 0.044691 -0.041119 -0.097866
0.90593 3.41883 0.01137 0.125851 0.001034 0.094891
4.02347 5.42903 5.37062 0.020364 0.101315 -0.226084
3.20580 2.14403 7.86351 0.067956 0.102548 0.060017
5.79635 5.02113 10.57311 -0.073683 0.004468 -0.165126
17.04585 9.11561 1.21303 -0.003468 0.130065 -0.086797
2.77777 9.21142 2.48441 -0.026052 0.034428 0.158037
2.81326 7.56570 7.26027 -0.011772 0.148050 0.053659
17.12128 8.39339 9.13907 -0.060397 -0.060484 0.091213
3.95653 11.55760 13.54688 0.043660 -0.005240 0.026012
6.41796 10.12382 12.42996 -0.048321 -0.091216 -0.058700
16.91970 8.50720 15.23301 -0.152947 0.041284 0.123470
1.44752 12.03153 1.55405 0.162477 -0.048263 -0.048491
4.78875 14.80777 13.99029 0.122444 -0.047103 -0.051537
3.11907 15.32954 11.36139 -0.024261 0.126571 0.066466
3.00839 12.98175 16.24028 0.080267 0.054175 0.100373
10.47965 5.76222 4.69008 0.077221 -0.064930 0.124209
11.49659 4.95670 11.70349 -0.007811 0.084673 0.002615
8.52725 2.92084 15.57634 0.013830 0.068370 0.154286
10.14479 11.45777 5.54463 0.109946 0.046778 -0.081118
5.80423 7.27793 7.38838 0.064213 0.038658 -0.120504
6.47353 6.75268 15.61905 -0.095284 -0.054136 0.067461
6.87498 12.26462 9.85035 0.044543 -0.138467 -0.083171
8.78962 12.88332 15.53123 -0.112590 -0.058815 -0.071846
15.84178 1.43916 5.57653 -0.171646 0.001569 0.029088
15.29432 2.54530 2.69877 -0.113208 -0.014949 0.037896
14.65461 2.31995 8.38826 0.032590 0.044953 0.112549
11.64417 2.01732 7.39276 -0.118922 0.035980 0.115003
12.68832 0.13156 9.88576 -0.007557 -0.139209 -0.194926
15.37089 6.33580 13.63848 0.089555 -0.034155 0.082538
13.54277 0.37068 15.51697 0.018677 -0.032878 -0.088416
11.75251 6.98717 7.66658 0.007422 0.199099 0.046313
14.65676 9.39871 13.02108 -0.040948 0.014099 0.107425
11.79447 11.93739 0.23369 0.050692 -0.102016 -0.036313
15.58819 14.27281 5.41547 -0.141626 -0.148337 0.061770
12.64524 14.64727 1.25266 0.073619 0.039012 -0.025974
16.37117 14.38320 13.78953 0.101726 0.118831 0.093545
6.79959 4.16525 6.13822 -0.075241 -0.015529 -0.165112
3.44913 2.11606 14.68008 -0.233778 -0.006864 0.026798
3.40840 6.39632 15.41434 -0.217757 -0.011762 -0.075158
4.68620 9.80134 15.71119 0.035690 -0.010190 0.064716
1.37531 15.81446 6.57700 -0.043455 0.095598 0.092325
7.09323 6.82652 3.84187 -0.166091 0.026693 -0.018926
7.61719 10.48050 15.84999 0.164715 0.019279 0.052603
7.41916 15.85012 1.53166 -0.163435 0.052291 -0.098739
15.55665 16.72266 8.03554 -0.140248 0.047137 0.049603
13.07417 4.74696 1.82804 0.097104 0.234268 -0.140827
15.87278 16.00203 16.79289 -0.013010 -0.006137 -0.055552
13.32474 2.60369 12.73763 -0.047140 0.056021 0.027966
0.55526 6.58766 4.23958 -0.221949 0.187886 -0.076632
15.18735 9.39050 4.84556 0.035848 0.131741 -0.250533
11.03013 13.47455 10.75582 -0.005447 -0.189523 -0.208256
15.23519 13.02306 2.66987 -0.060223 -0.192457 -0.138714
12.82586 15.26859 12.26894 0.010691 -0.058941 0.091133
4.41267 11.95420 6.74145 -0.281952 0.000544 0.059494
8.12289 8.21076 9.04586 0.228269 -0.032792 -0.155331
13.25470 17.02774 3.08063 -0.195930 -0.070811 0.056194
13.75071 3.77630 5.08713 -0.106719 -0.031596 -0.046324
11.37669 6.90426 15.32579 -0.046205 -0.055042 0.221011
4.65966 2.62469 5.40312 -0.027661 0.024022 -0.031299
5.77863 4.27569 3.43391 -0.056578 -0.004525 -0.030466
0.34297 1.70003 8.04662 0.094543 0.021323 0.057524
1.80178 0.52017 10.02537 -0.002040 0.030412 0.001617
4.75205 3.01566 12.34455 -0.015281 -0.009269 -0.001297
1.50871 3.14515 9.98786 0.001110 0.031859 0.022773
4.95502 5.61753 13.24798 -0.000590 -0.022165 -0.027112
2.96696 4.81068 11.54705 -0.116251 -0.000119 -0.069090
16.28915 1.39892 16.27636 0.061775 -0.006970 0.003763
16.82514 6.26878 0.05606 0.009963 -0.045673 0.008886
4.31837 8.27268 4.89440 0.007056 0.020724 -0.014575
5.63196 9.69459 2.96139 0.016483 -0.002034 -0.008573
0.95055 5.35637 6.79678 -0.054793 0.042252 -0.034183
1.85312 5.69095 9.33423 -0.026719 0.089599 -0.091370
4.75647 8.28792 13.57965 -0.003468 0.002114 0.000331
0.07702 7.35413 8.20216 -0.003553 0.021450 -0.015363
4.28102 14.65768 5.60817 0.003291 -0.003189 -0.001851
1.65907 14.75343 0.95014 0.004754 -0.015114 -0.004421
4.07920 0.13489 5.63675 0.009947 0.045949 0.009418
5.62250 16.05876 3.83415 -0.189996 0.006490 0.066659
3.00886 15.90884 3.37741 0.050082 -0.001427 0.027981
3.08293 14.09554 7.94782 -0.034176 0.005379 0.029158
0.23130 13.47466 7.69710 -0.073473 -0.058735 -0.031423
1.10911 15.18469 9.46771 0.008862 0.092923 0.142675
4.55442 0.32110 12.75899 -0.022818 0.009474 -0.000926
5.91157 15.72239 11.29942 -0.083218 -0.015243 0.018451
16.98712 13.16086 16.30425 -0.003559 0.011742 0.004252
9.66000 2.88703 5.47586 -0.010254 -0.017386 0.021686
8.38917 4.29424 3.31666 0.063604 -0.030070 0.044973
8.63077 1.34819 7.47097 -0.006033 0.001455 0.012537
5.92558 1.23579 7.41107 -0.013982 0.011385 -0.014711
7.22995 0.30288 9.59089 -0.001750 0.000744 -0.012807
10.15413 2.86876 13.21236 -0.000436 0.057248 -0.032932
7.20233 2.90206 9.16173 0.005356 0.036244 0.004865
9.15114 5.38903 13.43900 -0.071901 0.170103 0.168927
8.72546 4.11147 11.04154 -0.085241 0.015044 -0.078059
6.25079 1.79355 14.18182 -0.089321 0.011199 0.008624
6.87773 5.68441 1.32848 -0.013908 -0.022482 0.050998
9.84065 8.69250 4.65492 -0.003539 -0.011332 0.000801
7.03807 8.42523 1.15352 -0.018517 0.013949 0.016948
10.91712 10.34123 2.66854 0.006082 -0.010397 -0.007279
8.28329 10.10312 3.07456 0.035274 0.000190 0.013362
8.65414 6.98001 6.56358 -0.037482 -0.010730 0.025594
7.85777 5.44103 8.74818 -0.005337 0.080036 -0.062546
10.10633 10.04869 13.80436 0.022634 -0.032290 -0.001996
10.83738 12.62623 13.70570 0.001844 -0.125830 -0.083990
11.31250 10.95669 11.63636 0.084553 -0.038018 -0.093355
8.78955 11.87447 12.23940 0.018472 -0.056364 -0.036203
8.85637 6.92739 0.03482 -0.002209 0.059607 0.120243
6.87780 11.19844 1.06740 -0.033287 -0.046661 0.019328
10.26936 14.61298 5.54621 0.015313 -0.001331 -0.001264
10.18840 0.20708 5.55081 0.004451 -0.034508 -0.024565
10.69079 16.02908 3.16145 0.057172 0.004944 -0.070564
8.31131 15.92972 4.34780 -0.367998 0.006679 -0.271569
8.82143 13.37215 7.56551 -0.011536 -0.000918 0.017239
6.01002 14.02491 7.72932 0.007616 -0.001014 0.005183
9.76310 15.09546 13.81709 0.009970 -0.041178 0.024212
7.81166 14.92726 9.56863 -0.005989 -0.133324 -0.094188
9.32234 0.52693 14.12670 0.006795 0.091941 0.052811
8.39217 16.36983 11.82400 -0.012459 -0.004784 -0.012769
5.77040 12.65234 15.62138 -0.085593 0.027516 -0.039577
11.65006 0.19158 0.72696 -0.025405 -0.114530 0.096203
13.23550 2.28519 0.45558 0.086168 0.096000 0.095093
16.60603 4.08113 4.83087 -0.020487 0.016005 -0.004386
12.61822 3.04169 10.00416 0.004815 0.068965 0.060385
0.18439 5.11146 11.39170 -0.028083 0.002070 0.003518
14.49791 4.73199 11.30700 0.111258 0.035943 0.045721
11.14498 1.80577 15.70249 0.028494 -0.019970 0.015963
14.29089 7.44806 0.94479 -0.353339 0.264363 -0.008589
12.46605 9.25532 0.51295 -0.019136 0.049723 0.016197
16.43100 11.67448 5.98587 -0.013938 0.012020 0.003850
0.41614 10.55204 3.71560 0.007925 0.016051 -0.019094
15.60128 6.13249 6.19024 -0.071129 0.175733 0.194556
11.21787 7.79772 6.62175 -0.109596 -0.048463 -0.066519
15.25719 11.88599 14.40422 0.002147 -0.014785 -0.021332
16.25147 11.55139 11.97690 0.102939 0.103847 -0.321427
13.64251 12.04614 12.11265 -0.047526 -0.007602 -0.043788
14.09702 8.35601 15.56789 0.007084 0.018643 -0.038361
12.17521 6.83171 16.52398 -0.046213 0.018097 -0.106039
14.57425 12.94108 7.62587 0.000927 -0.025005 0.007872
11.72918 13.33826 7.47094 0.028618 -0.016298 0.022146
12.95157 11.98924 9.51877 0.018591 -0.019331 -0.042070
13.50927 14.60682 9.39463 -0.005373 -0.051166 -0.032507
15.85657 17.08562 13.92028 0.022305 -0.020217 -0.052498
0.46242 16.24052 11.95841 -0.032687 0.008903 0.048659
15.13716 16.00722 11.36299 0.083341 0.003445 0.072666
14.17706 13.51611 16.11843 -0.010345 -0.002631 0.019500
11.53228 14.18897 15.67919 0.032641 -0.031035 0.048500
16.92428 4.80578 2.12176 0.015424 -0.008412 -0.015755
1.59951 0.97273 16.06487 0.040265 -0.003422 -0.026545
3.92543 10.74304 4.47997 0.031867 0.000543 0.000227
0.19139 8.00787 10.19270 0.010051 0.016912 -0.060468
1.71809 7.63789 17.04295 0.005428 -0.004347 0.014013
16.08834 8.77172 9.12622 0.028077 -0.013541 -0.023708
6.95533 0.80850 16.43399 0.010533 0.000446 0.013318
5.89665 2.96597 16.43801 0.005624 0.019539 0.012283
10.71548 3.42578 3.31399 0.025818 -0.014051 -0.011980
8.33925 10.11272 10.56582 -0.007457 -0.031434 -0.012279
7.05525 13.36300 0.39803 0.029454 0.003947 0.012760
10.76810 16.86944 12.24906 0.050227 0.011546 -0.012480
15.38404 4.13028 0.42844 -0.014367 0.000821 0.002052
16.09513 3.80439 13.07028 0.021816 0.012663 0.000656
0.59437 9.54491 6.01783 0.002118 0.028982 -0.016666
13.34921 10.76354 2.33401 -0.036339 -0.015888 -0.001590
12.14255 7.65999 8.44769 -0.001997 -0.066502 -0.021728
12.58410 6.37268 7.28890 0.062991 -0.066739 -0.016898
13.16218 14.29892 4.08616 0.005634 -0.016000 -0.014415
0.54975 15.53778 3.09510 -0.024408 -0.010744 0.007676
13.80344 12.16577 4.87686 0.005546 -0.009466 -0.011598
0.91261 1.01779 2.45684 -0.029226 0.039303 0.060421
1.87672 3.64538 0.50110 -0.094379 -0.012370 -0.035156
3.25652 4.96781 6.00741 -0.088768 -0.064393 0.068625
2.79262 3.00684 7.29869 -0.007100 -0.039355 0.017439
5.98154 6.10588 10.68947 0.005779 -0.006043 0.010966
16.23972 9.78583 0.85736 0.045479 -0.054051 0.009449
2.41817 8.17387 2.61374 0.000500 -0.007978 -0.004648
2.22967 8.30114 6.66805 0.029498 -0.060064 0.029376
2.88418 11.35472 13.71396 -0.036346 -0.016884 -0.017841
5.78689 9.61073 11.66310 0.034689 0.042516 0.061438
0.57142 8.18335 14.59404 0.090376 -0.041975 -0.078843
0.85750 12.59075 2.29798 -0.054238 0.066448 0.058423
5.86728 14.88045 14.24335 -0.068233 -0.010059 0.014869
2.69242 14.46278 11.89717 -0.008756 -0.054068 0.025089
3.07137 11.88399 16.39544 -0.004206 -0.013437 -0.009847
10.75193 6.10266 3.67217 -0.006189 0.027632 -0.055247
11.29384 5.49427 10.75695 -0.009338 -0.036496 0.045948
8.42811 3.90806 15.07514 -0.009043 -0.013160 -0.006143
11.19720 11.12014 5.65179 -0.045902 0.030296 0.022661
5.85717 8.38284 7.49822 -0.000449 -0.003805 0.006591
6.79099 5.69802 15.47614 0.001054 -0.006794 0.000304
6.41369 11.45878 9.23883 0.016657 0.066178 0.023496
9.36608 11.94555 15.64170 0.004628 0.004406 0.003698
16.80833 1.09294 5.17427 0.086339 -0.029491 -0.015450
15.21576 1.45120 2.63137 0.000475 0.010822 -0.000569
14.56555 3.34802 7.99739 -0.011818 -0.018462 0.001480
12.33220 1.81908 6.55170 0.065358 -0.028995 -0.101957
11.94629 16.72565 9.27076 0.074212 0.077303 0.061326
15.88861 5.83235 14.48623 -0.034910 0.047462 -0.068289
13.33197 0.90548 14.57298 -0.017868 -0.013768 0.052702
13.56500 9.21264 13.02707 0.005960 0.020214 -0.024370
11.55070 11.36015 16.45968 -0.003097 0.031083 0.037553
15.14695 15.18324 5.83608 -0.015711 0.055662 0.011425
12.40782 13.89194 2.02020 -0.001830 -0.042391 0.036922
16.66954 13.56388 13.11130 0.000774 -0.051725 -0.030495
2.37333 1.04191 1.50908 0.000593 -0.015125 0.026299
1.01836 3.64899 16.09135 -0.016122 0.014007 -0.042776
3.51843 5.62563 4.40463 0.036344 -0.024001 0.105990
3.91688 2.61723 8.57753 -0.055201 -0.059310 -0.072080
5.20778 4.94354 9.63209 0.056237 0.005045 0.122072
16.56924 8.53635 2.02012 -0.040118 -0.061490 0.068455
3.27103 9.21382 1.49654 0.026860 0.001935 -0.110405
3.19576 8.15613 8.11750 -0.011291 -0.057630 -0.077285
4.05486 11.91669 12.51021 -0.013342 0.015380 -0.037958
7.14397 9.32412 12.68803 -0.017193 0.035571 0.001096
17.00989 9.60789 15.31198 0.005983 -0.001786 -0.000918
2.49697 12.22478 1.87038 -0.078479 -0.019791 -0.001313
4.30535 15.47720 14.72787 -0.038062 0.060416 0.044062
3.56269 14.89767 10.44932 0.011799 -0.035629 -0.083839
3.65776 13.36849 17.06029 -0.059843 -0.045353 -0.090182
11.46025 5.51444 5.15046 -0.094666 0.046317 -0.023428
11.76682 5.74776 12.42914 0.008340 -0.041106 -0.030662
8.86440 3.10328 16.61456 0.001053 -0.026304 -0.112458
9.60870 10.85712 6.29997 -0.042848 -0.064513 0.052786
5.27693 6.97470 8.31326 -0.029751 -0.030610 0.092307
7.25777 7.30431 15.07021 0.068280 0.049358 -0.044280
6.01027 12.81798 10.26305 -0.059606 0.055332 0.012487
8.25316 12.70055 14.56870 0.035776 0.016984 0.086170
15.11210 0.65243 5.29794 0.035326 0.038758 -0.003771
16.30755 2.77727 2.33551 0.091072 0.017670 -0.007328
15.10605 2.46794 9.39430 -0.026956 -0.023398 -0.098758
11.57892 3.12534 7.40585 0.008626 -0.014208 -0.004343
12.08850 0.48276 10.74366 -0.067344 0.052981 0.102956
14.32513 5.97553 13.73447 -0.031531 -0.028073 -0.029691
13.18068 16.49010 15.32414 -0.002258 0.012028 -0.007980
15.00834 9.01892 12.04756 0.015147 -0.039953 -0.068180
10.81508 12.37831 0.50380 -0.048854 0.041131 -0.005100
16.46401 14.55549 4.82020 0.106932 0.035564 -0.046329
13.72083 14.84624 1.42899 -0.060580 0.006903 0.015064
0.18429 14.69856 14.29180 -0.097113 -0.047199 -0.025425
6.47670 4.19508 7.18082 -0.010892 0.001562 0.107872
7.36763 3.24003 5.99794 0.024578 -0.018894 0.013697
7.48114 5.00164 5.96703 0.031171 0.026967 0.009919
3.54464 3.12912 15.09803 0.015484 -0.010335 -0.009127
2.45234 2.02628 14.21457 0.123586 0.011171 0.041247
3.49842 1.39920 15.51115 0.023364 0.014800 -0.028443
3.30752 7.04379 16.29174 0.020984 0.011495 0.004873
2.47618 6.44606 14.82290 0.133717 -0.003109 0.067624
3.52735 5.36305 15.77780 0.017641 0.007925 -0.002430
5.12571 8.90936 16.17411 -0.006695 0.034956 -0.013326
4.88286 10.66024 16.35557 0.005308 -0.023545 -0.021148
3.59127 9.63651 15.67562 0.000759 0.000168 -0.024939
0.37491 16.21468 6.39327 0.038902 -0.018402 -0.002521
2.05635 16.65735 6.74488 -0.017962 -0.031834 -0.002956
1.68774 15.29387 5.66248 0.018905 -0.041820 -0.073206
6.22480 7.42247 3.53516 0.075617 -0.049609 0.021604
7.07464 6.73593 4.92917 0.012221 0.000388 0.018288
7.98002 7.40583 3.56088 0.057050 0.034566 -0.009594
6.93364 9.68454 16.12859 -0.036609 -0.040208 0.010701
7.74044 10.50551 14.76076 -0.013613 0.005441 -0.017385
8.60136 10.19154 16.26014 -0.082491 0.024387 -0.023290
7.23774 14.79298 1.19008 -0.005515 -0.007881 -0.004607
6.72785 16.50017 0.97052 0.054839 -0.059372 0.031327
8.45763 16.11538 1.30179 0.042034 0.013896 0.028170
16.16803 15.91549 7.64163 0.051985 -0.056861 -0.029855
15.66224 16.69194 9.13096 0.012851 0.001523 -0.026271
14.50365 16.49582 7.80295 0.062996 0.009385 -0.000549
12.24235 4.40941 2.46078 -0.111407 -0.049533 0.081057
13.63465 5.53552 2.35015 -0.041891 -0.070889 -0.033347
12.64846 5.17802 0.90448 0.027619 -0.050037 0.087140
16.93294 15.72965 16.75325 0.018188 -0.013304 0.015702
15.26397 15.09888 16.81788 0.001140 -0.003802 -0.005213
15.75085 16.50887 0.60819 0.004993 0.016698 0.021568
14.24755 2.04188 12.54194 0.048589 -0.035699 0.002771
13.42106 3.09363 13.71934 0.013519 -0.013183 -0.011456
12.47163 1.91512 12.79320 -0.001192 -0.003083 -0.010421
0.93081 7.53933 4.64456 -0.005639 -0.046697 -0.004805
1.38395 6.08217 3.73154 0.083998 -0.068499 -0.030592
16.93603 6.82603 3.44119 0.106921 -0.040702 0.101531
14.56692 9.90714 4.09242 0.055408 -0.062857 0.082372
15.35610 8.36393 4.49633 0.001263 -0.026416 -0.001627
14.60778 9.33633 5.77389 -0.061070 -0.004936 0.125392
11.33330 14.37522 10.22543 0.012714 0.046995 -0.018767
10.36817 12.91325 10.06729 0.061096 0.073900 0.070976
10.41943 13.75623 11.61043 -0.064997 0.039744 0.110465
15.69441 13.91693 2.22716 0.016950 0.056125 -0.004777
16.04245 12.30977 2.89511 -0.035987 0.042811 0.007226
14.59222 12.55004 1.91204 0.075916 0.067373 0.098982
13.38733 14.41556 12.68199 -0.030758 0.056728 -0.031500
13.00020 16.12812 12.93647 0.008032 -0.013005 -0.024806
11.76986 15.02975 12.31862 0.013312 0.011467 -0.015784
3.45497 11.64905 6.29208 0.114570 0.034570 0.034909
5.22748 11.59843 6.10657 0.116523 -0.041696 -0.081197
4.48734 11.45655 7.72215 0.020580 0.010692 -0.022086
9.15719 8.06411 9.39988 -0.086979 0.014215 -0.009061
8.07497 9.19709 8.56227 -0.013857 -0.010799 0.008799
7.47535 8.22673 9.92702 -0.094575 -0.000779 0.124592
13.34827 16.44583 4.00765 0.025504 0.011029 -0.010402
14.22772 17.02625 2.58269 0.128724 0.003235 -0.057912
12.97620 0.90598 3.34963 0.005946 0.023532 -0.000798
13.67151 3.95074 6.16568 0.020619 -0.002824 0.016593
13.67476 4.75785 4.59847 -0.004520 -0.003387 0.002860
12.88800 3.16793 4.76890 0.058384 0.035659 0.013691
15.80581 6.68597 6.98369 -0.023459 -0.112968 -0.165901
10.99404 6.33224 8.12367 -0.046667 -0.056837 0.023501
0.65244 9.22690 8.95302 0.040563 0.046556 -0.014412
16.09514 11.86432 11.06539 0.032402 -0.082656 0.246954
10.09067 9.17272 13.38436 0.001397 0.004960 0.008486
9.09261 6.43926 16.39374 0.017918 -0.053942 -0.084172
15.03096 6.92367 0.60154 0.246310 -0.173347 -0.112103
10.63526 7.71269 15.40971 -0.011569 0.008677 -0.022729
12.00904 7.08694 14.44640 0.067958 0.021178 -0.106234
10.85500 5.94942 15.17586 -0.006548 0.004337 -0.023703
-----------------------------------------------------------------------------------
total drift: 0.023620 -0.035310 0.070955
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4121618535 eV
energy without entropy= -2279.4361302322 energy(sigma->0) = -2279.42015131
d Force =-0.2509274E-01[-0.116E+00, 0.657E-01] d Energy =-0.2520594E-01 0.113E-03
d Force = 0.1324468E+00[-0.163E+00, 0.428E+00] d Ewald = 0.1322985E+00 0.148E-03
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
Steepest descent step on ions:
trial-energy change: 0.025206 1 .order 0.025093 -0.065720 0.115906
(g-gl).g = 0.657E-01 g.g = 0.657E-01 gl.gl = 0.000E+00
g(Force) = 0.657E-01 g(Stress)= 0.000E+00 ortho = 0.000E+00
gamma = 0.00000
trial = 1.00000
opt step = 0.36098 (harmonic = 0.36184) maximal distance =0.00213845
next E = -2279.449224 (d E = -0.01186)
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 3 -------------------------------------------
--------------------------------------- Iteration 3( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1616
total energy-change (2. order) :-0.3344836E-01 (-0.2228998E+00)
number of electron 1204.0000379 magnetization
augmentation part 54.0254114 magnetization
free energy = -0.227944561307E+04 energy without entropy= -0.227946929605E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) :-0.6061446E-02 (-0.9256195E-02)
number of electron 1204.0000379 magnetization
augmentation part 54.0299805 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8981
0.8981
free energy = -0.227945167452E+04 energy without entropy= -0.227947542283E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1952
total energy-change (2. order) : 0.1738643E-02 (-0.3657755E-03)
number of electron 1204.0000379 magnetization
augmentation part 54.0289938 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4447
1.0006 1.8889
free energy = -0.227944993587E+04 energy without entropy= -0.227947369166E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1888
total energy-change (2. order) : 0.5590684E-03 (-0.5110410E-03)
number of electron 1204.0000379 magnetization
augmentation part 54.0280343 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1929
1.9704 0.8232 0.7852
free energy = -0.227944937681E+04 energy without entropy= -0.227947312596E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 2160
total energy-change (2. order) : 0.9515737E-04 (-0.9528589E-04)
number of electron 1204.0000379 magnetization
augmentation part 54.0284912 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2084
2.2283 0.9450 0.9450 0.7153
free energy = -0.227944928165E+04 energy without entropy= -0.227947303133E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 6) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1872
total energy-change (2. order) : 0.3358327E-04 (-0.5803935E-04)
number of electron 1204.0000379 magnetization
augmentation part 54.0283861 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1863
2.3412 0.8744 0.8744 0.9208 0.9208
free energy = -0.227944924806E+04 energy without entropy= -0.227947300215E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 3( 7) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1792
total energy-change (2. order) : 0.6581409E-05 (-0.6816208E-05)
number of electron 1204.0000379 magnetization
augmentation part 54.0283861 magnetization
free energy = -0.227944924148E+04 energy without entropy= -0.227947299373E+04
--------------------------------------------------------------------------------------------------------
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 -89.4959 2 -89.9797 3 -90.3004 4 -88.6826 5 -89.6463
6 -88.8991 7 -90.0215 8 -89.2624 9 -89.2526 10 -88.8444
11 -89.0689 12 -88.8744 13 -89.4169 14 -88.7258 15 -88.5930
16 -89.8742 17 -89.9155 18 -90.1435 19 -91.0182 20 -89.6006
21 -88.6591 22 -89.4929 23 -89.0094 24 -88.1854 25 -90.1239
26 -89.0570 27 -89.2923 28 -90.0627 29 -89.0942 30 -89.1681
31 -87.6654 32 -89.1481 33 -89.3397 34 -89.1698 35 -90.0067
36 -88.8586 37 -88.5440 38 -89.2830 39 -87.9762 40 -90.6571
41 -91.3781 42 -90.9468 43 -90.1199 44 -88.9823 45 -89.8589
46 -89.1736 47 -90.1070 48 -88.5458 49 -90.4887 50 -89.1431
51 -88.8769 52 -89.3132 53 -88.5502 54 -89.3777 55 -89.4673
56 -89.2712 57 -89.2437 58 -88.9844 59 -89.0433 60 -89.4059
61 -89.4686 62 -89.4792 63 -89.7251 64 -89.7904 65 -88.0754
66 -90.4239 67 -90.2108 68 -89.2899 69 -89.8297 70 -54.0425
71 -54.2552 72 -52.8508 73 -53.4303 74 -52.8657 75 -53.3228
76 -53.0877 77 -53.0840 78 -54.7585 79 -52.7261 80 -52.9685
81 -53.3655 82 -53.2420 83 -52.9004 84 -52.8378 85 -53.1002
86 -53.2019 87 -52.2480 88 -52.4777 89 -53.6632 90 -53.0893
91 -52.7972 92 -53.3793 93 -51.8771 94 -53.3714 95 -54.1998
96 -52.8609 97 -53.4071 98 -53.0967 99 -53.3682 100 -53.2655
101 -54.3889 102 -53.1438 103 -53.0886 104 -53.1401 105 -53.3703
106 -53.3466 107 -52.5652 108 -52.8837 109 -52.7258 110 -52.5242
111 -53.1267 112 -52.4188 113 -51.5944 114 -54.5331 115 -52.8256
116 -53.7388 117 -53.1724 118 -52.6429 119 -53.3531 120 -52.8759
121 -52.7884 122 -53.1623 123 -52.6464 124 -53.1206 125 -52.6351
126 -53.6005 127 -53.3835 128 -54.0634 129 -75.3063 130 -75.0459
131 -75.3014 132 -75.4297 133 -75.0645 134 -75.3810 135 -74.9126
136 -75.2316 137 -75.7033 138 -76.5055 139 -75.1887 140 -74.9386
141 -75.5660 142 -75.5596 143 -74.6216 144 -75.6839 145 -75.9792
146 -75.6587 147 -75.9822 148 -77.2918 149 -76.1030 150 -75.5390
151 -75.5239 152 -75.3293 153 -75.1253 154 -75.2013 155 -75.5601
156 -75.5372 157 -75.2871 158 -75.6221 159 -75.5766 160 -75.4240
161 -74.3749 162 -75.1627 163 -71.5255 164 -74.4241 165 -74.9822
166 -74.9929 167 -75.3233 168 -74.8482 169 -75.3909 170 -75.0229
171 -75.2475 172 -74.8969 173 -75.2612 174 -74.9162 175 -75.1532
176 -75.1232 177 -74.6715 178 -73.5277 179 -76.0536 180 -75.9917
181 -76.0921 182 -77.2455 183 -75.6287 184 -75.5380 185 -75.1754
186 -75.3964 187 -75.0725 188 -75.3681 189 -74.1875 190 -75.8277
191 -76.5004 192 -75.7136 193 -74.8860 194 -75.5018 195 -75.0292
196 -75.3962 197 -75.4644 198 -75.4145 199 -75.4999 200 -75.3645
201 -75.2713 202 -75.1225 203 -75.4824 204 -75.4165 205 -75.4403
206 -75.3611 207 -75.1768 208 -75.6290 209 -75.5983 210 -75.3870
211 -75.4266 212 -75.5156 213 -75.3686 214 -75.3331 215 -75.5155
216 -75.1621 217 -36.7730 218 -35.8223 219 -35.1594 220 -36.9839
221 -35.7624 222 -37.0789 223 -35.1562 224 -35.0505 225 -35.4514
226 -34.9204 227 -33.9863 228 -35.2681 229 -37.6189 230 -35.2437
231 -35.4348 232 -35.4199 233 -36.6515 234 -36.6460 235 -35.6084
236 -36.0069 237 -35.4193 238 -37.6611 239 -37.9835 240 -36.9299
241 -37.1705 242 -36.7146 243 -37.0846 244 -37.0263 245 -37.0337
246 -36.5803 247 -36.7944 248 -37.2294 249 -37.0926 250 -36.5643
251 -36.8921 252 -36.9121 253 -37.0857 254 -36.1843 255 -36.1353
256 -36.8715 257 -37.0054 258 -36.4568 259 -37.1347 260 -36.0676
261 -37.3338 262 -38.0762 263 -36.8494 264 -37.2349 265 -36.9696
266 -37.1110 267 -37.1504 268 -37.0174 269 -36.8398 270 -37.2149
271 -37.2977 272 -36.9512 273 -37.7382 274 -37.9401 275 -36.9765
276 -37.1807 277 -36.8263 278 -37.2278 279 -36.9637 280 -37.0532
281 -36.5027 282 -36.6038 283 -37.2443 284 -37.0876 285 -36.7403
286 -36.8134 287 -36.8267 288 -37.1075 289 -36.1639 290 -36.6081
291 -36.8868 292 -37.0077 293 -36.3595 294 -37.0634 295 -36.0976
296 -37.3927 297 -38.2290 298 -36.8932 299 -37.1049 300 -36.9103
301 -37.1201 302 -37.2609 303 -37.0207 304 -36.9991 305 -37.1761
306 -37.4076 307 -37.1630 308 -36.5753 309 -36.5485 310 -36.6641
311 -36.7780 312 -36.7172 313 -36.7991 314 -36.5947 315 -36.6058
316 -36.6568 317 -36.3177 318 -36.1839 319 -36.4986 320 -37.0464
321 -36.9535 322 -37.1346 323 -36.3405 324 -36.4484 325 -36.4193
326 -35.5508 327 -35.5321 328 -35.5184 329 -37.6950 330 -38.0688
331 -38.0346 332 -36.8463 333 -36.6994 334 -36.8175 335 -37.5711
336 -37.4308 337 -37.1771 338 -37.1284 339 -37.1243 340 -37.2920
341 -36.4897 342 -36.5730 343 -36.4457 344 -37.1588 345 -37.2158
346 -37.2386 347 -36.6538 348 -36.6776 349 -36.6387 350 -36.6848
351 -36.5950 352 -36.5424 353 -37.0080 354 -36.9471 355 -36.9164
356 -36.5252 357 -36.6226 358 -36.4771 359 -36.8419 360 -36.8701
361 -37.0041 362 -36.4351 363 -36.5289 364 -36.5151 365 -37.3945
366 -37.6039 367 -37.5260 368 -37.1295 369 -37.1961 370 -37.3111
371 -39.1915 372 -36.7047 373 -37.0196 374 -39.7410 375 -39.5645
376 -38.9477 377 -39.7542 378 -36.3371 379 -36.4999 380 -36.1971
E-fermi : 0.7967 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.7966743179
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6468 2.00000
2 -21.2094 2.00000
3 -20.6595 2.00000
4 -20.5279 2.00000
5 -20.5049 2.00000
6 -20.3988 2.00000
7 -20.3387 2.00000
8 -20.2606 2.00000
9 -20.2428 2.00000
10 -20.2038 2.00000
11 -20.1900 2.00000
12 -20.1579 2.00000
13 -20.1444 2.00000
14 -20.1046 2.00000
15 -20.1023 2.00000
16 -20.0707 2.00000
17 -20.0172 2.00000
18 -19.9185 2.00000
19 -19.8711 2.00000
20 -19.8260 2.00000
21 -19.8020 2.00000
22 -19.7729 2.00000
23 -19.7380 2.00000
24 -19.7222 2.00000
25 -19.6962 2.00000
26 -19.6772 2.00000
27 -19.6694 2.00000
28 -19.6399 2.00000
29 -19.6257 2.00000
30 -19.6128 2.00000
31 -19.5800 2.00000
32 -19.5622 2.00000
33 -19.5153 2.00000
34 -19.4837 2.00000
35 -19.4659 2.00000
36 -19.4423 2.00000
37 -19.4211 2.00000
38 -19.3997 2.00000
39 -19.3501 2.00000
40 -19.3247 2.00000
41 -19.3063 2.00000
42 -19.2990 2.00000
43 -19.2880 2.00000
44 -19.2776 2.00000
45 -19.2311 2.00000
46 -19.2272 2.00000
47 -19.1941 2.00000
48 -19.1878 2.00000
49 -19.1813 2.00000
50 -19.1416 2.00000
51 -19.1306 2.00000
52 -19.1255 2.00000
53 -19.1043 2.00000
54 -19.0836 2.00000
55 -19.0652 2.00000
56 -19.0453 2.00000
57 -19.0317 2.00000
58 -19.0221 2.00000
59 -19.0075 2.00000
60 -18.9805 2.00000
61 -18.9643 2.00000
62 -18.9522 2.00000
63 -18.9467 2.00000
64 -18.9416 2.00000
65 -18.9043 2.00000
66 -18.8670 2.00000
67 -18.8575 2.00000
68 -18.8502 2.00000
69 -18.8459 2.00000
70 -18.7937 2.00000
71 -18.7901 2.00000
72 -18.7803 2.00000
73 -18.7676 2.00000
74 -18.7255 2.00000
75 -18.6972 2.00000
76 -18.6611 2.00000
77 -18.6455 2.00000
78 -18.6199 2.00000
79 -18.6151 2.00000
80 -18.5777 2.00000
81 -18.4918 2.00000
82 -18.3654 2.00000
83 -18.3324 2.00000
84 -18.2937 2.00000
85 -18.0715 2.00000
86 -17.9670 2.00000
87 -17.1794 2.00000
88 -15.1427 2.00000
89 -13.6199 2.00000
90 -13.5546 2.00000
91 -13.2315 2.00000
92 -13.0484 2.00000
93 -12.9443 2.00000
94 -12.8548 2.00000
95 -12.7697 2.00000
96 -12.7394 2.00000
97 -12.7348 2.00000
98 -12.6752 2.00000
99 -12.6249 2.00000
100 -12.5632 2.00000
101 -12.5232 2.00000
102 -12.4810 2.00000
103 -12.4614 2.00000
104 -12.4207 2.00000
105 -12.3978 2.00000
106 -12.3711 2.00000
107 -12.3382 2.00000
108 -12.3093 2.00000
109 -12.2863 2.00000
110 -12.2698 2.00000
111 -12.2285 2.00000
112 -12.2198 2.00000
113 -12.1958 2.00000
114 -12.1492 2.00000
115 -12.1385 2.00000
116 -12.1085 2.00000
117 -12.1058 2.00000
118 -12.0650 2.00000
119 -12.0478 2.00000
120 -11.9962 2.00000
121 -11.9828 2.00000
122 -11.9415 2.00000
123 -11.9189 2.00000
124 -11.9164 2.00000
125 -11.8876 2.00000
126 -11.8651 2.00000
127 -11.8412 2.00000
128 -11.8277 2.00000
129 -11.8229 2.00000
130 -11.7847 2.00000
131 -11.7612 2.00000
132 -11.7252 2.00000
133 -11.7165 2.00000
134 -11.6850 2.00000
135 -11.6170 2.00000
136 -11.6021 2.00000
137 -11.5924 2.00000
138 -11.5694 2.00000
139 -11.5161 2.00000
140 -11.5030 2.00000
141 -11.4513 2.00000
142 -11.4129 2.00000
143 -11.3948 2.00000
144 -11.3248 2.00000
145 -11.1658 2.00000
146 -11.0496 2.00000
147 -11.0452 2.00000
148 -10.6289 2.00000
149 -10.4801 2.00000
150 -10.3795 2.00000
151 -10.1424 2.00000
152 -10.0954 2.00000
153 -10.0617 2.00000
154 -9.8768 2.00000
155 -9.8276 2.00000
156 -9.8126 2.00000
157 -9.7742 2.00000
158 -9.6485 2.00000
159 -9.5916 2.00000
160 -9.4859 2.00000
161 -9.4730 2.00000
162 -9.3964 2.00000
163 -9.3748 2.00000
164 -9.3370 2.00000
165 -9.3052 2.00000
166 -9.1950 2.00000
167 -9.1817 2.00000
168 -9.1598 2.00000
169 -9.0752 2.00000
170 -8.9818 2.00000
171 -8.9678 2.00000
172 -8.9185 2.00000
173 -8.8730 2.00000
174 -8.8324 2.00000
175 -8.8001 2.00000
176 -8.7302 2.00000
177 -8.6933 2.00000
178 -8.6475 2.00000
179 -8.5824 2.00000
180 -8.4473 2.00000
181 -8.4006 2.00000
182 -8.3273 2.00000
183 -8.2755 2.00000
184 -8.2147 2.00000
185 -8.1859 2.00000
186 -8.1651 2.00000
187 -8.0949 2.00000
188 -8.0777 2.00000
189 -8.0275 2.00000
190 -7.9772 2.00000
191 -7.9572 2.00000
192 -7.9121 2.00000
193 -7.8358 2.00000
194 -7.7761 2.00000
195 -7.7352 2.00000
196 -7.6985 2.00000
197 -7.6578 2.00000
198 -7.6294 2.00000
199 -7.5888 2.00000
200 -7.5714 2.00000
201 -7.5410 2.00000
202 -7.5101 2.00000
203 -7.4769 2.00000
204 -7.4331 2.00000
205 -7.4082 2.00000
206 -7.3341 2.00000
207 -7.3318 2.00000
208 -7.2860 2.00000
209 -7.2608 2.00000
210 -7.2426 2.00000
211 -7.2009 2.00000
212 -7.1797 2.00000
213 -7.1452 2.00000
214 -7.1224 2.00000
215 -7.0803 2.00000
216 -7.0478 2.00000
217 -7.0225 2.00000
218 -6.9814 2.00000
219 -6.9602 2.00000
220 -6.9207 2.00000
221 -6.8780 2.00000
222 -6.8082 2.00000
223 -6.7795 2.00000
224 -6.7440 2.00000
225 -6.7019 2.00000
226 -6.6860 2.00000
227 -6.6822 2.00000
228 -6.6599 2.00000
229 -6.6459 2.00000
230 -6.5991 2.00000
231 -6.5834 2.00000
232 -6.5265 2.00000
233 -6.5011 2.00000
234 -6.4781 2.00000
235 -6.3972 2.00000
236 -6.3623 2.00000
237 -6.3213 2.00000
238 -6.2903 2.00000
239 -6.2188 2.00000
240 -6.1833 2.00000
241 -6.1524 2.00000
242 -6.1214 2.00000
243 -6.0991 2.00000
244 -6.0746 2.00000
245 -6.0453 2.00000
246 -6.0266 2.00000
247 -6.0052 2.00000
248 -5.9949 2.00000
249 -5.9554 2.00000
250 -5.9023 2.00000
251 -5.8808 2.00000
252 -5.8452 2.00000
253 -5.8202 2.00000
254 -5.7809 2.00000
255 -5.7700 2.00000
256 -5.7513 2.00000
257 -5.7399 2.00000
258 -5.7267 2.00000
259 -5.7108 2.00000
260 -5.7037 2.00000
261 -5.6869 2.00000
262 -5.6571 2.00000
263 -5.6386 2.00000
264 -5.6197 2.00000
265 -5.6035 2.00000
266 -5.5777 2.00000
267 -5.5682 2.00000
268 -5.5390 2.00000
269 -5.5238 2.00000
270 -5.5163 2.00000
271 -5.4931 2.00000
272 -5.4755 2.00000
273 -5.4557 2.00000
274 -5.4444 2.00000
275 -5.4318 2.00000
276 -5.4264 2.00000
277 -5.4057 2.00000
278 -5.3978 2.00000
279 -5.3822 2.00000
280 -5.3541 2.00000
281 -5.3467 2.00000
282 -5.3144 2.00000
283 -5.2969 2.00000
284 -5.2848 2.00000
285 -5.2765 2.00000
286 -5.2638 2.00000
287 -5.2503 2.00000
288 -5.2361 2.00000
289 -5.2249 2.00000
290 -5.2112 2.00000
291 -5.1993 2.00000
292 -5.1833 2.00000
293 -5.1820 2.00000
294 -5.1709 2.00000
295 -5.1504 2.00000
296 -5.1437 2.00000
297 -5.1381 2.00000
298 -5.1172 2.00000
299 -5.0924 2.00000
300 -5.0860 2.00000
301 -5.0737 2.00000
302 -5.0680 2.00000
303 -5.0544 2.00000
304 -5.0459 2.00000
305 -5.0265 2.00000
306 -5.0140 2.00000
307 -4.9965 2.00000
308 -4.9917 2.00000
309 -4.9765 2.00000
310 -4.9538 2.00000
311 -4.9456 2.00000
312 -4.9247 2.00000
313 -4.9226 2.00000
314 -4.9130 2.00000
315 -4.8914 2.00000
316 -4.8824 2.00000
317 -4.8744 2.00000
318 -4.8634 2.00000
319 -4.8493 2.00000
320 -4.8351 2.00000
321 -4.8274 2.00000
322 -4.8154 2.00000
323 -4.8063 2.00000
324 -4.8025 2.00000
325 -4.7859 2.00000
326 -4.7700 2.00000
327 -4.7629 2.00000
328 -4.7449 2.00000
329 -4.7397 2.00000
330 -4.7278 2.00000
331 -4.7154 2.00000
332 -4.7120 2.00000
333 -4.7029 2.00000
334 -4.6844 2.00000
335 -4.6750 2.00000
336 -4.6653 2.00000
337 -4.6614 2.00000
338 -4.6366 2.00000
339 -4.6206 2.00000
340 -4.6149 2.00000
341 -4.6055 2.00000
342 -4.5910 2.00000
343 -4.5727 2.00000
344 -4.5536 2.00000
345 -4.5493 2.00000
346 -4.5373 2.00000
347 -4.5165 2.00000
348 -4.5032 2.00000
349 -4.4845 2.00000
350 -4.4755 2.00000
351 -4.4666 2.00000
352 -4.4548 2.00000
353 -4.4424 2.00000
354 -4.4386 2.00000
355 -4.4302 2.00000
356 -4.4134 2.00000
357 -4.3980 2.00000
358 -4.3875 2.00000
359 -4.3777 2.00000
360 -4.3683 2.00000
361 -4.3562 2.00000
362 -4.3406 2.00000
363 -4.3292 2.00000
364 -4.3183 2.00000
365 -4.3057 2.00000
366 -4.2756 2.00000
367 -4.2698 2.00000
368 -4.2550 2.00000
369 -4.2361 2.00000
370 -4.2278 2.00000
371 -4.2202 2.00000
372 -4.2053 2.00000
373 -4.1921 2.00000
374 -4.1735 2.00000
375 -4.1529 2.00000
376 -4.1441 2.00000
377 -4.1357 2.00000
378 -4.1256 2.00000
379 -4.1113 2.00000
380 -4.1054 2.00000
381 -4.1001 2.00000
382 -4.0667 2.00000
383 -4.0576 2.00000
384 -4.0486 2.00000
385 -4.0373 2.00000
386 -4.0247 2.00000
387 -4.0180 2.00000
388 -4.0056 2.00000
389 -3.9820 2.00000
390 -3.9758 2.00000
391 -3.9678 2.00000
392 -3.9506 2.00000
393 -3.9342 2.00000
394 -3.9191 2.00000
395 -3.8996 2.00000
396 -3.8935 2.00000
397 -3.8836 2.00000
398 -3.8651 2.00000
399 -3.8637 2.00000
400 -3.8474 2.00000
401 -3.8390 2.00000
402 -3.8268 2.00000
403 -3.8011 2.00000
404 -3.7959 2.00000
405 -3.7697 2.00000
406 -3.7692 2.00000
407 -3.7536 2.00000
408 -3.7356 2.00000
409 -3.7165 2.00000
410 -3.7053 2.00000
411 -3.7004 2.00000
412 -3.6924 2.00000
413 -3.6852 2.00000
414 -3.6747 2.00000
415 -3.6661 2.00000
416 -3.6461 2.00000
417 -3.6363 2.00000
418 -3.6352 2.00000
419 -3.6203 2.00000
420 -3.6054 2.00000
421 -3.5956 2.00000
422 -3.5862 2.00000
423 -3.5658 2.00000
424 -3.5480 2.00000
425 -3.5283 2.00000
426 -3.5159 2.00000
427 -3.5131 2.00000
428 -3.5027 2.00000
429 -3.4783 2.00000
430 -3.4637 2.00000
431 -3.4559 2.00000
432 -3.4424 2.00000
433 -3.4274 2.00000
434 -3.4232 2.00000
435 -3.4108 2.00000
436 -3.3983 2.00000
437 -3.3967 2.00000
438 -3.3648 2.00000
439 -3.3610 2.00000
440 -3.3541 2.00000
441 -3.3302 2.00000
442 -3.3187 2.00000
443 -3.3143 2.00000
444 -3.2834 2.00000
445 -3.2631 2.00000
446 -3.2589 2.00000
447 -3.2476 2.00000
448 -3.2277 2.00000
449 -3.2229 2.00000
450 -3.2169 2.00000
451 -3.2055 2.00000
452 -3.1846 2.00000
453 -3.1781 2.00000
454 -3.1747 2.00000
455 -3.1496 2.00000
456 -3.1462 2.00000
457 -3.1411 2.00000
458 -3.1210 2.00000
459 -3.1094 2.00000
460 -3.0947 2.00000
461 -3.0788 2.00000
462 -3.0701 2.00000
463 -3.0635 2.00000
464 -3.0604 2.00000
465 -3.0514 2.00000
466 -3.0384 2.00000
467 -3.0254 2.00000
468 -3.0225 2.00000
469 -3.0175 2.00000
470 -2.9967 2.00000
471 -2.9926 2.00000
472 -2.9804 2.00000
473 -2.9644 2.00000
474 -2.9515 2.00000
475 -2.9368 2.00000
476 -2.9143 2.00000
477 -2.9092 2.00000
478 -2.8898 2.00000
479 -2.8846 2.00000
480 -2.8785 2.00000
481 -2.8688 2.00000
482 -2.8548 2.00000
483 -2.8230 2.00000
484 -2.8225 2.00000
485 -2.8176 2.00000
486 -2.8002 2.00000
487 -2.7802 2.00000
488 -2.7610 2.00000
489 -2.7584 2.00000
490 -2.7529 2.00000
491 -2.7449 2.00000
492 -2.7284 2.00000
493 -2.7210 2.00000
494 -2.7073 2.00000
495 -2.7050 2.00000
496 -2.6909 2.00000
497 -2.6874 2.00000
498 -2.6694 2.00000
499 -2.6654 2.00000
500 -2.6489 2.00000
501 -2.6420 2.00000
502 -2.6175 2.00000
503 -2.6023 2.00000
504 -2.5994 2.00000
505 -2.5824 2.00000
506 -2.5701 2.00000
507 -2.5650 2.00000
508 -2.5405 2.00000
509 -2.5323 2.00000
510 -2.5253 2.00000
511 -2.5214 2.00000
512 -2.5031 2.00000
513 -2.4939 2.00000
514 -2.4828 2.00000
515 -2.4696 2.00000
516 -2.4573 2.00000
517 -2.4454 2.00000
518 -2.4220 2.00000
519 -2.4118 2.00000
520 -2.4077 2.00000
521 -2.3969 2.00000
522 -2.3886 2.00000
523 -2.3755 2.00000
524 -2.3680 2.00000
525 -2.3543 2.00000
526 -2.3452 2.00000
527 -2.3347 2.00000
528 -2.3272 2.00000
529 -2.3092 2.00000
530 -2.3010 2.00000
531 -2.2912 2.00000
532 -2.2780 2.00000
533 -2.2662 2.00000
534 -2.2484 2.00000
535 -2.2406 2.00000
536 -2.2226 2.00000
537 -2.2197 2.00000
538 -2.2101 2.00000
539 -2.1978 2.00000
540 -2.1939 2.00000
541 -2.1783 2.00000
542 -2.1665 2.00000
543 -2.1444 2.00000
544 -2.1358 2.00000
545 -2.1173 2.00000
546 -2.1084 2.00000
547 -2.0974 2.00000
548 -2.0847 2.00000
549 -2.0656 2.00000
550 -2.0514 2.00000
551 -2.0422 2.00000
552 -2.0281 2.00000
553 -2.0197 2.00000
554 -2.0038 2.00000
555 -1.9900 2.00000
556 -1.9661 2.00000
557 -1.9478 2.00000
558 -1.9363 2.00000
559 -1.9146 2.00000
560 -1.9060 2.00000
561 -1.8877 2.00000
562 -1.8696 2.00000
563 -1.8491 2.00000
564 -1.8358 2.00000
565 -1.8115 2.00000
566 -1.8051 2.00000
567 -1.7768 2.00000
568 -1.7726 2.00000
569 -1.7440 2.00000
570 -1.7292 2.00000
571 -1.6880 2.00000
572 -1.6821 2.00000
573 -1.6610 2.00000
574 -1.6487 2.00000
575 -1.6202 2.00000
576 -1.6089 2.00000
577 -1.5805 2.00000
578 -1.5635 2.00000
579 -1.5383 2.00000
580 -1.5357 2.00000
581 -1.5189 2.00000
582 -1.4795 2.00000
583 -1.4431 2.00000
584 -1.4191 2.00000
585 -1.4041 2.00000
586 -1.3662 2.00000
587 -1.3422 2.00000
588 -1.3265 2.00000
589 -1.3041 2.00000
590 -1.2590 2.00000
591 -1.2326 2.00000
592 -1.1908 2.00000
593 -1.1652 2.00000
594 -1.0938 2.00000
595 -1.0604 2.00000
596 -0.9694 2.00000
597 -0.8628 2.00000
598 -0.6275 2.00000
599 -0.1731 2.00000
600 0.2525 2.00082
601 0.6173 2.02170
602 0.6377 1.97748
603 1.7683 -0.00000
604 2.1116 -0.00000
605 2.4379 -0.00000
606 3.0949 -0.00000
607 3.1328 -0.00000
608 3.2750 -0.00000
609 3.4480 -0.00000
610 3.7444 -0.00000
611 3.8473 -0.00000
612 3.9154 -0.00000
613 3.9885 -0.00000
614 4.0100 -0.00000
615 4.0899 -0.00000
616 4.1437 -0.00000
617 4.1779 -0.00000
618 4.2740 -0.00000
619 4.2920 -0.00000
620 4.3227 -0.00000
621 4.3713 -0.00000
622 4.4153 -0.00000
623 4.4706 -0.00000
624 4.4772 -0.00000
625 4.5102 -0.00000
626 4.5239 -0.00000
627 4.5828 -0.00000
628 4.6231 -0.00000
629 4.6402 -0.00000
630 4.6529 -0.00000
631 4.6727 -0.00000
632 4.7006 -0.00000
633 4.7285 -0.00000
634 4.7401 -0.00000
635 4.7696 -0.00000
636 4.7944 -0.00000
637 4.8043 -0.00000
638 4.8361 -0.00000
639 4.8603 -0.00000
640 4.8758 -0.00000
641 4.9114 -0.00000
642 4.9263 -0.00000
643 4.9661 -0.00000
644 4.9895 -0.00000
645 5.0247 -0.00000
646 5.0327 -0.00000
647 5.0532 -0.00000
648 5.0623 -0.00000
649 5.1064 -0.00000
650 5.1314 -0.00000
651 5.1411 -0.00000
652 5.1543 -0.00000
653 5.1584 -0.00000
654 5.2039 -0.00000
655 5.2115 -0.00000
656 5.2310 -0.00000
657 5.2404 -0.00000
658 5.2772 -0.00000
659 5.2963 -0.00000
660 5.3136 -0.00000
661 5.3260 -0.00000
662 5.3349 -0.00000
663 5.3630 -0.00000
664 5.3887 -0.00000
665 5.4118 -0.00000
666 5.4241 -0.00000
667 5.4354 -0.00000
668 5.4466 -0.00000
669 5.4484 -0.00000
670 5.4779 -0.00000
671 5.5130 -0.00000
672 5.5184 -0.00000
673 5.5299 -0.00000
674 5.5581 -0.00000
675 5.5643 -0.00000
676 5.5914 -0.00000
677 5.6077 -0.00000
678 5.6333 -0.00000
679 5.6369 -0.00000
680 5.6598 -0.00000
681 5.6722 -0.00000
682 5.6778 -0.00000
683 5.7096 -0.00000
684 5.7125 -0.00000
685 5.7263 -0.00000
686 5.7434 -0.00000
687 5.7577 -0.00000
688 5.7703 -0.00000
689 5.8028 -0.00000
690 5.8080 -0.00000
691 5.8316 -0.00000
692 5.8417 -0.00000
693 5.8542 -0.00000
694 5.8736 -0.00000
695 5.8800 -0.00000
696 5.9027 -0.00000
697 5.9141 -0.00000
698 5.9380 -0.00000
699 5.9516 -0.00000
700 5.9544 -0.00000
701 5.9608 -0.00000
702 6.0021 -0.00000
703 6.0153 -0.00000
704 6.0300 -0.00000
705 6.0498 -0.00000
706 6.0560 -0.00000
707 6.0624 -0.00000
708 6.0875 -0.00000
709 6.0931 -0.00000
710 6.1021 -0.00000
711 6.1234 0.00000
712 6.1384 0.00000
713 6.1501 0.00000
714 6.1711 0.00000
715 6.1773 0.00000
716 6.1967 0.00000
717 6.2005 0.00000
718 6.2161 0.00000
719 6.2311 0.00000
720 6.2629 0.00000
721 6.2660 0.00000
722 6.2808 0.00000
723 6.3015 0.00000
724 6.3035 0.00000
725 6.3215 0.00000
726 6.3452 0.00000
727 6.3602 0.00000
728 6.3677 0.00000
729 6.3786 0.00000
730 6.3869 0.00000
731 6.4133 0.00000
732 6.4265 0.00000
733 6.4434 0.00000
734 6.4536 0.00000
735 6.4637 0.00000
736 6.4811 0.00000
737 6.4931 0.00000
738 6.5013 0.00000
739 6.5175 0.00000
740 6.5405 0.00000
741 6.5472 0.00000
742 6.5607 0.00000
743 6.5790 0.00000
744 6.5935 0.00000
745 6.6166 0.00000
746 6.6213 0.00000
747 6.6277 0.00000
748 6.6353 0.00000
749 6.6528 0.00000
750 6.6787 0.00000
751 6.6798 0.00000
752 6.6977 0.00000
753 6.7080 0.00000
754 6.7287 0.00000
755 6.7407 0.00000
756 6.7498 0.00000
757 6.7699 0.00000
758 6.7825 0.00000
759 6.8004 0.00000
760 6.8111 0.00000
761 6.8168 0.00000
762 6.8404 0.00000
763 6.8509 0.00000
764 6.8630 0.00000
765 6.8724 0.00000
766 6.8782 0.00000
767 6.9005 0.00000
768 6.9063 0.00000
769 6.9385 0.00000
770 6.9484 0.00000
771 6.9633 0.00000
772 6.9729 0.00000
773 6.9778 0.00000
774 6.9964 0.00000
775 7.0156 0.00000
776 7.0242 0.00000
777 7.0394 0.00000
778 7.0492 0.00000
779 7.0663 0.00000
780 7.0899 0.00000
781 7.0907 0.00000
782 7.1104 0.00000
783 7.1166 0.00000
784 7.1431 0.00000
785 7.1440 0.00000
786 7.1525 0.00000
787 7.1610 0.00000
788 7.1913 0.00000
789 7.1967 0.00000
790 7.2011 0.00000
791 7.2112 0.00000
792 7.2395 0.00000
793 7.2475 0.00000
794 7.2503 0.00000
795 7.2759 0.00000
796 7.2908 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.483 -3.326 0.123 -0.986 -1.059 -0.050 0.386 0.456
-3.326 1.624 -0.110 0.560 0.855 0.039 -0.208 -0.332
0.123 -0.110 3.290 0.096 -0.265 -0.838 -0.019 0.059
-0.986 0.560 0.096 3.619 0.608 -0.019 -0.935 -0.297
-1.059 0.855 -0.265 0.608 4.403 0.059 -0.293 -1.328
-0.050 0.039 -0.838 -0.019 0.059 0.223 0.003 -0.012
0.386 -0.208 -0.019 -0.935 -0.293 0.003 0.257 0.123
0.456 -0.332 0.059 -0.297 -1.328 -0.012 0.123 0.419
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5223.33669 -8296.15396 -4996.95659 650.37136 -1717.74094 959.42833
Hartree 12984.86853 10485.77556 12476.88760 416.92202 -1720.99736 481.25197
E(xc) -4966.59315 -4968.23181 -4965.30480 1.45666 0.59545 1.20905
Local -22714.61936-17187.39495-22354.50435 -1033.66249 3491.29432 -1368.93171
n-local -578.18894 -581.47569 -542.84994 -12.32015 -3.74834 6.36015
augment 254.67926 256.67053 245.96562 0.64723 -2.24536 -4.76638
Kinetic 19036.08318 19118.86520 18897.77717 -19.99862 -37.13074 -92.38686
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.4702860 -162.3082353 -229.3484010 3.4160161 10.0270366 -17.8354639
in kB -62.7224016 -51.5538946 -72.8478335 1.0850277 3.1848833 -5.6650707
external PRESSURE = -62.3747099 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.129E+03 -.238E+02 -.336E+02 0.133E+03 0.229E+02 0.286E+02 -.445E+01 0.896E+00 0.504E+01 -.364E-02 0.707E-03 0.308E-02
0.744E+02 0.494E+01 0.114E+02 -.755E+02 -.707E+00 -.105E+02 0.108E+01 -.422E+01 -.901E+00 0.560E-03 -.242E-02 0.250E-02
-.460E+02 0.479E+02 -.163E+02 0.489E+02 -.492E+02 0.214E+02 -.290E+01 0.129E+01 -.507E+01 -.295E-02 0.215E-03 0.209E-02
0.639E+02 -.203E+02 0.545E+02 -.605E+02 0.246E+02 -.495E+02 -.344E+01 -.421E+01 -.498E+01 0.110E-02 -.143E-02 0.119E-02
-.411E+02 -.174E+02 0.250E+02 0.416E+02 0.172E+02 -.266E+02 -.447E+00 0.178E+00 0.168E+01 -.134E-02 -.173E-02 -.439E-02
0.727E+02 -.296E+01 -.105E+03 -.756E+02 0.463E+01 0.110E+03 0.290E+01 -.167E+01 -.538E+01 0.827E-02 -.604E-03 -.275E-02
0.389E+02 -.613E+02 -.819E+02 -.366E+02 0.605E+02 0.793E+02 -.231E+01 0.805E+00 0.261E+01 0.178E-02 -.186E-02 -.533E-03
0.180E+01 -.752E+02 -.128E+01 0.272E+01 0.750E+02 -.922E+00 -.450E+01 0.272E+00 0.221E+01 0.450E-02 -.919E-03 0.927E-03
-.955E+02 -.178E+02 0.208E+02 0.102E+03 0.230E+02 -.220E+02 -.604E+01 -.523E+01 0.129E+01 0.355E-03 -.802E-04 0.840E-03
0.153E+02 -.345E+02 -.455E+02 -.168E+02 0.309E+02 0.478E+02 0.149E+01 0.354E+01 -.227E+01 0.999E-04 -.566E-03 -.888E-03
-.459E+02 0.124E+02 0.605E+02 0.474E+02 -.135E+02 -.625E+02 -.147E+01 0.112E+01 0.196E+01 -.686E-03 -.656E-03 -.214E-02
0.857E+02 -.846E+02 -.150E+02 -.882E+02 0.904E+02 0.155E+02 0.248E+01 -.574E+01 -.415E+00 -.379E-03 0.511E-03 -.151E-02
-.554E+02 -.962E+02 -.126E+02 0.561E+02 0.989E+02 0.117E+02 -.728E+00 -.266E+01 0.913E+00 0.392E-03 -.252E-02 -.154E-02
0.280E+02 0.122E+01 -.554E+02 -.324E+02 -.153E+01 0.604E+02 0.448E+01 0.321E+00 -.502E+01 0.811E-03 0.536E-03 -.307E-03
0.568E+02 -.313E+02 0.659E+02 -.580E+02 0.337E+02 -.622E+02 0.122E+01 -.241E+01 -.368E+01 0.333E-03 0.658E-04 0.101E-02
-.659E+02 0.352E+02 0.187E+02 0.710E+02 -.410E+02 -.178E+02 -.513E+01 0.581E+01 -.849E+00 0.366E-03 -.113E-02 -.257E-03
-.567E+01 0.110E+03 0.148E+02 0.399E+01 -.120E+03 -.167E+02 0.166E+01 0.970E+01 0.189E+01 0.229E-03 0.238E-02 0.101E-02
-.453E+01 -.467E+02 -.326E+01 -.553E+01 0.473E+02 0.410E+01 0.100E+02 -.592E+00 -.839E+00 -.116E-02 0.121E-03 0.141E-02
0.307E+02 0.192E+02 0.108E+03 -.295E+02 -.191E+02 -.103E+03 -.110E+01 -.102E+00 -.415E+01 -.432E-03 -.770E-03 0.280E-02
-.186E+02 0.782E+02 0.287E+02 0.169E+02 -.709E+02 -.326E+02 0.173E+01 -.735E+01 0.389E+01 0.193E-02 0.294E-02 -.236E-02
0.104E+03 -.413E+02 0.377E+02 -.102E+03 0.398E+02 -.383E+02 -.136E+01 0.152E+01 0.616E+00 0.282E-02 -.793E-03 0.196E-03
-.495E+02 0.400E+02 -.793E+02 0.542E+02 -.427E+02 0.794E+02 -.473E+01 0.272E+01 -.954E-01 0.222E-03 -.933E-03 -.400E-02
0.698E+02 0.941E+02 -.869E+02 -.734E+02 -.957E+02 0.868E+02 0.361E+01 0.150E+01 0.123E+00 0.782E-02 0.459E-03 -.182E-02
0.544E+02 0.796E+01 -.186E+03 -.536E+02 -.689E+01 0.189E+03 -.752E+00 -.107E+01 -.283E+01 0.656E-02 -.104E-02 -.372E-02
-.837E+02 -.904E+01 -.917E+01 0.859E+02 0.109E+02 0.118E+02 -.228E+01 -.190E+01 -.267E+01 0.120E-02 -.125E-02 0.423E-02
0.233E+02 0.250E+02 0.719E+02 -.243E+02 -.177E+02 -.665E+02 0.964E+00 -.726E+01 -.545E+01 0.128E-02 -.514E-03 -.158E-02
-.934E+02 0.604E+01 0.703E+02 0.985E+02 -.374E+01 -.752E+02 -.511E+01 -.232E+01 0.490E+01 0.212E-02 -.230E-02 0.731E-03
-.902E+01 0.156E+02 0.871E+01 0.911E+01 -.137E+02 -.622E+01 -.626E-01 -.200E+01 -.248E+01 0.380E-02 -.314E-02 0.420E-02
0.248E+02 -.478E+02 -.897E+02 -.319E+02 0.516E+02 0.887E+02 0.706E+01 -.383E+01 0.108E+01 0.725E-03 -.541E-02 -.338E-02
0.158E+02 -.736E+02 -.659E+02 -.177E+02 0.748E+02 0.684E+02 0.194E+01 -.119E+01 -.247E+01 0.249E-02 -.605E-02 0.275E-02
-.500E+02 -.611E+02 0.345E+02 0.484E+02 0.730E+02 -.250E+02 0.162E+01 -.119E+02 -.955E+01 0.597E-03 -.829E-02 -.113E-03
0.845E+02 0.452E+02 0.721E+02 -.798E+02 -.455E+02 -.745E+02 -.468E+01 0.223E+00 0.242E+01 -.403E-03 -.383E-03 -.167E-02
-.527E+02 0.204E+01 0.284E+02 0.565E+02 -.512E+01 -.260E+02 -.390E+01 0.309E+01 -.233E+01 0.178E-02 -.202E-02 0.486E-03
0.160E+02 -.437E+02 -.212E+02 -.181E+02 0.492E+02 0.167E+02 0.206E+01 -.552E+01 0.452E+01 -.387E-03 0.567E-03 -.236E-02
-.285E+02 -.101E+03 -.665E+02 0.266E+02 0.987E+02 0.651E+02 0.192E+01 0.191E+01 0.144E+01 -.396E-03 0.670E-03 0.135E-03
0.398E+02 -.102E+03 -.453E+02 -.401E+02 0.109E+03 0.501E+02 0.282E+00 -.659E+01 -.472E+01 0.191E-02 -.267E-02 0.473E-03
0.108E+03 0.833E+02 0.813E+02 -.105E+03 -.888E+02 -.836E+02 -.317E+01 0.548E+01 0.225E+01 -.134E-02 0.387E-02 0.140E-02
0.242E+02 0.109E+03 0.212E+02 -.240E+02 -.110E+03 -.203E+02 -.122E+00 0.482E+00 -.919E+00 -.172E-02 0.692E-02 0.238E-02
-.509E+01 -.846E+02 -.720E+02 0.771E+01 0.849E+02 0.696E+02 -.259E+01 -.264E+00 0.234E+01 0.143E-02 0.136E-02 -.288E-02
0.947E+01 0.106E+03 0.561E+02 -.107E+02 -.109E+03 -.593E+02 0.116E+01 0.263E+01 0.328E+01 -.207E-02 0.411E-02 0.867E-03
0.195E+02 0.845E+01 0.132E+03 -.184E+02 -.864E+01 -.135E+03 -.103E+01 0.182E+00 0.391E+01 0.126E-02 -.205E-03 0.263E-02
-.156E+02 0.226E+02 0.424E+02 0.161E+02 -.218E+02 -.409E+02 -.442E+00 -.828E+00 -.149E+01 0.158E-02 0.224E-02 0.257E-02
0.202E+02 0.132E+03 0.336E+02 -.221E+02 -.133E+03 -.266E+02 0.188E+01 0.705E+00 -.706E+01 0.646E-03 0.530E-02 0.165E-02
0.869E+02 -.227E+02 -.103E+03 -.918E+02 0.185E+02 0.106E+03 0.488E+01 0.416E+01 -.276E+01 -.186E-02 0.705E-02 -.342E-02
0.841E+01 0.117E+02 -.155E+02 -.954E+01 -.128E+02 0.158E+02 0.110E+01 0.111E+01 -.348E+00 0.470E-02 0.338E-02 0.306E-02
-.198E+02 -.330E+02 0.109E+02 0.269E+02 0.354E+02 -.127E+02 -.709E+01 -.239E+01 0.182E+01 -.197E-03 0.267E-02 0.199E-04
-.526E+01 -.273E+02 -.834E+01 0.770E+01 0.234E+02 0.336E+01 -.243E+01 0.384E+01 0.496E+01 -.278E-02 0.994E-03 -.356E-02
0.516E+02 -.196E+02 0.609E+02 -.566E+02 0.166E+02 -.594E+02 0.495E+01 0.301E+01 -.155E+01 -.298E-02 -.644E-03 -.139E-02
-.529E+02 -.627E+02 -.169E+02 0.483E+02 0.651E+02 0.217E+02 0.456E+01 -.235E+01 -.480E+01 -.649E-03 -.147E-02 -.108E-02
0.271E+02 0.348E+02 0.454E+02 -.301E+02 -.354E+02 -.420E+02 0.303E+01 0.573E+00 -.337E+01 -.173E-03 -.264E-02 0.430E-03
0.826E+01 0.152E+02 0.606E+02 -.507E+01 -.151E+02 -.598E+02 -.318E+01 -.947E-01 -.820E+00 -.201E-02 -.160E-02 0.783E-03
-.190E+02 -.321E+02 -.218E+02 0.166E+02 0.275E+02 0.272E+02 0.244E+01 0.460E+01 -.543E+01 -.668E-02 0.680E-03 0.117E-02
-.734E+01 -.888E+02 -.317E+02 0.236E+01 0.860E+02 0.372E+02 0.497E+01 0.275E+01 -.547E+01 -.530E-02 -.581E-02 -.115E-02
-.303E+02 -.533E+02 -.799E+02 0.281E+02 0.470E+02 0.859E+02 0.213E+01 0.633E+01 -.595E+01 -.356E-02 -.222E-02 -.242E-03
-.938E+01 -.927E+01 -.134E+02 0.951E+01 0.490E+01 0.138E+02 -.934E-01 0.439E+01 -.360E+00 0.276E-02 -.280E-02 0.290E-02
-.632E+01 -.414E+02 0.778E+02 0.579E+01 0.458E+02 -.792E+02 0.549E+00 -.442E+01 0.146E+01 -.134E-02 -.439E-02 -.259E-02
-.492E+02 -.388E+02 -.617E+02 0.557E+02 0.431E+02 0.618E+02 -.649E+01 -.428E+01 -.889E-02 0.192E-03 0.259E-03 -.604E-03
-.192E+02 0.761E+02 -.583E+02 0.173E+02 -.826E+02 0.603E+02 0.192E+01 0.649E+01 -.201E+01 0.109E-02 0.171E-04 -.275E-02
-.843E+02 0.323E+02 0.959E+02 0.868E+02 -.308E+02 -.975E+02 -.250E+01 -.153E+01 0.153E+01 0.181E-02 0.140E-03 0.382E-02
-.189E+02 0.699E+02 0.491E+02 0.132E+02 -.672E+02 -.502E+02 0.564E+01 -.270E+01 0.111E+01 -.357E-02 0.599E-02 0.245E-02
-.518E+02 0.131E+03 0.210E+02 0.540E+02 -.135E+03 -.228E+02 -.226E+01 0.354E+01 0.181E+01 -.127E-02 0.262E-02 0.409E-02
-.689E+01 0.363E+02 -.100E+03 0.148E+01 -.369E+02 0.104E+03 0.542E+01 0.601E+00 -.339E+01 -.126E-02 0.403E-02 -.393E-02
-.125E+02 0.406E+02 0.114E+02 0.126E+02 -.360E+02 -.187E+02 -.137E+00 -.456E+01 0.733E+01 0.132E-02 0.478E-02 -.307E-03
0.121E+02 0.279E+02 -.161E+02 -.234E+01 -.282E+02 0.169E+02 -.977E+01 0.277E+00 -.826E+00 -.446E-03 0.397E-02 -.230E-02
0.514E+02 0.219E+02 0.164E+02 -.520E+02 -.224E+02 -.168E+02 0.584E+00 0.488E+00 0.426E+00 -.197E-03 0.299E-02 0.904E-03
0.149E+01 0.539E+02 0.869E+02 0.111E+01 -.562E+02 -.818E+02 -.259E+01 0.233E+01 -.501E+01 -.194E-02 0.664E-02 0.631E-03
-.751E+02 -.683E+00 -.804E+01 0.750E+02 0.902E+00 0.173E+01 0.778E-01 -.202E+00 0.631E+01 -.175E-02 0.874E-03 0.147E-02
0.132E+02 -.511E+02 0.180E+02 -.195E+02 0.529E+02 -.114E+02 0.628E+01 -.177E+01 -.661E+01 -.498E-02 0.457E-02 -.154E-03
-.455E+02 0.238E+02 -.446E+02 0.461E+02 -.278E+02 0.461E+02 -.596E+00 0.399E+01 -.155E+01 -.520E-02 0.539E-03 -.782E-03
-.518E+02 -.358E+02 0.674E+01 0.494E+02 0.325E+02 -.983E+01 0.241E+01 0.331E+01 0.308E+01 -.252E-02 -.429E-05 0.110E-02
-.730E+02 -.265E+02 -.836E+01 0.707E+02 0.235E+02 0.953E+01 0.239E+01 0.299E+01 -.116E+01 -.188E-02 0.139E-02 0.377E-02
0.576E+02 -.115E+02 0.525E+02 -.535E+02 0.121E+02 -.516E+02 -.404E+01 -.599E+00 -.944E+00 -.457E-03 -.659E-04 -.243E-02
0.163E+02 -.131E+01 0.239E+02 -.177E+02 -.359E+01 -.241E+02 0.141E+01 0.489E+01 0.225E+00 0.659E-03 -.662E-03 -.158E-03
0.212E+02 -.856E+02 -.259E+02 -.194E+02 0.821E+02 0.290E+02 -.183E+01 0.355E+01 -.313E+01 0.162E-02 -.280E-02 -.288E-03
-.297E+02 0.432E-01 0.153E+02 0.336E+02 0.556E+00 -.163E+02 -.389E+01 -.593E+00 0.966E+00 0.167E-03 0.717E-03 -.214E-02
0.802E+01 0.822E+01 0.280E+02 -.795E+01 -.471E+01 -.248E+02 -.673E-01 -.351E+01 -.318E+01 -.167E-02 0.124E-03 -.235E-04
-.193E+02 -.103E+03 -.429E+02 0.214E+02 0.984E+02 0.412E+02 -.205E+01 0.413E+01 0.162E+01 0.217E-03 0.161E-02 -.158E-03
0.296E+02 -.155E+03 -.124E+03 -.302E+02 0.160E+03 0.129E+03 0.617E+00 -.498E+01 -.482E+01 0.827E-03 -.257E-02 -.106E-02
0.906E+02 0.217E+02 0.770E+02 -.873E+02 -.228E+02 -.747E+02 -.329E+01 0.101E+01 -.230E+01 0.260E-02 -.582E-03 0.218E-02
0.573E+02 0.125E+02 0.566E+02 -.576E+02 -.745E+01 -.536E+02 0.347E+00 -.508E+01 -.302E+01 -.140E-02 0.108E-03 0.105E-02
-.911E+02 -.338E+01 0.506E+02 0.878E+02 0.110E+01 -.496E+02 0.334E+01 0.229E+01 -.902E+00 0.155E-03 0.112E-02 0.408E-02
-.368E+02 0.275E+02 0.943E+01 0.348E+02 -.305E+02 -.134E+02 0.200E+01 0.299E+01 0.397E+01 0.198E-02 -.107E-02 -.247E-02
0.466E+02 0.207E+02 -.569E+02 -.484E+02 -.239E+02 0.533E+02 0.177E+01 0.325E+01 0.362E+01 0.682E-02 -.908E-03 -.193E-02
0.105E+01 0.865E+02 -.571E+02 -.347E+00 -.821E+02 0.586E+02 -.714E+00 -.436E+01 -.145E+01 0.350E-02 0.143E-02 -.139E-02
0.139E+02 -.264E+02 0.261E+02 -.155E+02 0.297E+02 -.315E+02 0.154E+01 -.329E+01 0.537E+01 0.214E-02 -.141E-02 0.124E-02
-.762E+02 -.120E+01 0.321E+02 0.716E+02 0.113E+01 -.300E+02 0.460E+01 0.711E-01 -.209E+01 0.313E-02 -.267E-02 0.142E-02
-.324E+02 -.111E+03 0.188E+02 0.306E+02 0.107E+03 -.178E+02 0.174E+01 0.442E+01 -.101E+01 -.143E-02 -.546E-02 -.142E-02
0.506E+02 -.327E+02 -.115E+03 -.510E+02 0.313E+02 0.113E+03 0.350E+00 0.137E+01 0.180E+01 0.342E-02 -.270E-02 -.125E-02
0.134E+02 -.828E+00 0.182E+02 -.151E+02 0.289E+01 -.214E+02 0.174E+01 -.206E+01 0.320E+01 -.752E-04 0.214E-02 -.675E-03
0.352E+02 -.854E+02 -.348E+02 -.329E+02 0.817E+02 0.302E+02 -.232E+01 0.363E+01 0.456E+01 0.171E-02 -.714E-03 -.806E-03
0.458E+02 0.261E+02 0.163E+01 -.498E+02 -.241E+02 -.712E-01 0.402E+01 -.194E+01 -.155E+01 -.145E-02 -.930E-03 -.294E-03
0.559E+02 0.110E+03 0.493E+01 -.509E+02 -.109E+03 -.342E+01 -.496E+01 -.557E+00 -.153E+01 0.902E-03 0.280E-02 0.912E-04
0.743E+02 -.614E+02 -.109E+03 -.780E+02 0.660E+02 0.117E+03 0.371E+01 -.453E+01 -.732E+01 -.134E-02 0.315E-02 -.397E-02
-.481E+01 0.202E+02 0.605E+02 0.444E+01 -.165E+02 -.575E+02 0.342E+00 -.362E+01 -.301E+01 -.199E-02 0.246E-04 0.127E-02
-.350E+02 -.265E+01 0.897E+01 0.330E+02 0.463E+01 -.504E+01 0.206E+01 -.199E+01 -.391E+01 -.264E-02 -.166E-03 0.387E-03
0.652E+01 -.573E+02 0.207E+02 -.777E+01 0.537E+02 -.232E+02 0.124E+01 0.356E+01 0.252E+01 -.144E-02 -.157E-02 0.298E-03
-.279E+02 -.959E+01 -.683E+01 0.263E+02 0.615E+01 0.112E+02 0.168E+01 0.345E+01 -.440E+01 -.976E-03 -.129E-02 0.431E-02
0.102E+02 -.376E+02 0.274E+02 -.520E+01 0.387E+02 -.283E+02 -.500E+01 -.102E+01 0.905E+00 -.373E-02 0.108E-03 -.164E-02
-.449E+02 -.142E+02 0.353E+02 0.472E+02 0.181E+02 -.393E+02 -.226E+01 -.391E+01 0.393E+01 0.120E-03 -.213E-02 0.310E-02
-.180E+02 -.324E+02 -.842E+01 0.201E+02 0.341E+02 0.114E+02 -.211E+01 -.169E+01 -.299E+01 -.533E-02 0.117E-02 -.237E-02
-.120E+03 0.154E+02 -.133E+03 0.123E+03 -.188E+02 0.138E+03 -.271E+01 0.347E+01 -.493E+01 -.777E-04 -.296E-02 0.636E-03
-.411E+02 0.831E+02 0.693E+02 0.434E+02 -.816E+02 -.662E+02 -.235E+01 -.143E+01 -.310E+01 0.295E-03 0.570E-03 0.455E-02
-.976E-01 0.242E+02 -.601E+02 0.417E+01 -.242E+02 0.619E+02 -.407E+01 -.799E-01 -.181E+01 -.112E-04 0.207E-02 -.282E-02
0.823E+00 -.323E+02 0.738E+02 -.149E+01 0.299E+02 -.732E+02 0.653E+00 0.236E+01 -.567E+00 -.590E-03 0.262E-02 0.194E-02
0.194E+02 0.158E+02 -.440E+02 -.227E+02 -.147E+02 0.398E+02 0.329E+01 -.117E+01 0.420E+01 -.338E-03 0.445E-02 -.339E-02
-.782E+02 0.288E+02 0.523E+00 0.740E+02 -.276E+02 -.534E+00 0.427E+01 -.120E+01 0.186E-01 -.164E-02 0.165E-02 0.229E-02
0.988E+00 -.190E+02 0.173E+02 -.276E+01 0.191E+02 -.188E+02 0.178E+01 -.151E+00 0.153E+01 0.601E-03 -.283E-02 -.166E-03
0.684E+02 -.103E+02 -.119E+03 -.664E+02 0.970E+01 0.117E+03 -.198E+01 0.623E+00 0.207E+01 0.229E-02 0.894E-03 -.289E-03
0.785E+02 0.207E+02 -.507E+02 -.759E+02 -.193E+02 0.488E+02 -.266E+01 -.143E+01 0.186E+01 -.164E-02 0.184E-02 -.471E-03
0.905E+02 0.152E+02 -.190E+02 -.877E+02 -.140E+02 0.168E+02 -.277E+01 -.122E+01 0.215E+01 -.243E-05 -.753E-04 0.147E-04
0.188E+02 -.754E+01 0.890E+02 -.190E+02 0.661E+01 -.866E+02 0.245E+00 0.948E+00 -.240E+01 -.966E-03 0.301E-02 0.761E-03
0.194E+02 -.335E+02 0.370E+00 -.196E+02 0.318E+02 -.998E+00 0.181E+00 0.172E+01 0.631E+00 -.845E-03 -.481E-03 -.160E-02
-.291E+01 0.372E+02 0.171E+02 0.102E+01 -.337E+02 -.156E+02 0.192E+01 -.351E+01 -.150E+01 0.205E-03 0.200E-02 -.345E-03
0.435E+02 -.164E+02 0.663E+02 -.432E+02 0.154E+02 -.692E+02 -.408E+00 0.108E+01 0.280E+01 0.185E-02 0.996E-04 -.282E-02
0.230E+02 0.696E+01 0.460E+02 -.216E+02 -.445E+01 -.472E+02 -.138E+01 -.251E+01 0.114E+01 -.319E-02 0.311E-02 -.408E-03
0.216E+02 -.293E+02 -.170E+02 -.217E+02 0.305E+02 0.162E+02 0.137E+00 -.107E+01 0.747E+00 0.233E-02 -.771E-04 -.291E-02
-.543E+02 -.556E+01 -.625E+02 0.533E+02 0.605E+01 0.594E+02 0.933E+00 -.493E+00 0.303E+01 -.328E-02 0.146E-02 -.277E-03
-.493E+02 -.315E+02 -.476E+02 0.486E+02 0.333E+02 0.452E+02 0.683E+00 -.175E+01 0.247E+01 -.706E-02 -.283E-02 0.367E-03
-.207E+02 -.275E+02 0.808E+02 0.198E+02 0.260E+02 -.786E+02 0.919E+00 0.156E+01 -.223E+01 -.337E-02 -.989E-04 -.339E-02
0.610E+02 0.387E+02 -.205E+02 -.592E+02 -.376E+02 0.208E+02 -.180E+01 -.103E+01 -.331E+00 0.495E-03 -.584E-03 -.522E-02
0.492E+02 -.352E+01 0.545E+02 -.474E+02 0.327E+01 -.531E+02 -.187E+01 0.217E+00 -.151E+01 -.329E-02 0.562E-02 0.113E-02
-.108E+02 0.154E+02 -.222E+01 0.933E+01 -.151E+02 0.386E+01 0.143E+01 -.298E+00 -.165E+01 0.333E-03 -.968E-03 -.268E-02
0.205E+01 -.295E+02 -.309E+02 -.265E+01 0.293E+02 0.283E+02 0.621E+00 0.136E+00 0.259E+01 -.562E-02 0.356E-02 0.325E-02
0.137E+02 0.114E+03 0.547E+01 -.138E+02 -.112E+03 -.610E+01 0.284E-01 -.195E+01 0.636E+00 -.253E-02 0.310E-02 0.167E-02
-.114E+02 -.857E+02 -.603E+02 0.108E+02 0.835E+02 0.585E+02 0.660E+00 0.221E+01 0.180E+01 0.215E-02 -.168E-02 -.131E-02
-.500E+02 -.148E+02 -.431E+02 0.475E+02 0.132E+02 0.414E+02 0.244E+01 0.159E+01 0.168E+01 -.227E-02 0.239E-02 0.482E-04
0.379E+02 -.360E+02 0.483E+01 -.357E+02 0.352E+02 -.485E+01 -.227E+01 0.819E+00 0.798E-02 -.488E-03 -.330E-02 0.472E-04
0.600E+02 0.239E+02 0.114E+03 -.649E+02 -.244E+02 -.120E+03 0.483E+01 0.529E+00 0.571E+01 -.110E-02 -.532E-02 0.302E-02
0.110E+03 0.301E+01 0.214E+03 -.119E+03 -.778E+01 -.230E+03 0.848E+01 0.479E+01 0.156E+02 0.750E-03 -.292E-02 0.463E-02
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.140E+02 0.132E+02 0.183E+02 0.291E-02 0.259E-03 -.780E-03
0.308E+02 -.577E+02 0.904E+02 -.286E+02 0.625E+02 -.995E+02 -.218E+01 -.484E+01 0.916E+01 -.143E-02 -.230E-02 -.265E-02
-.494E+02 -.295E+02 -.882E+02 0.562E+02 0.331E+02 0.947E+02 -.675E+01 -.359E+01 -.648E+01 -.370E-03 -.124E-02 -.100E-01
0.321E+02 -.818E+00 -.208E+02 -.294E+02 -.573E+01 0.625E+01 -.274E+01 0.654E+01 0.145E+02 0.113E-01 -.158E-02 -.718E-03
0.576E+02 -.153E+02 -.937E+02 -.629E+02 0.988E+01 0.100E+03 0.525E+01 0.541E+01 -.624E+01 0.571E-04 -.141E-02 -.528E-02
0.509E+01 -.628E+02 -.631E+02 0.248E+01 0.608E+02 0.667E+02 -.757E+01 0.200E+01 -.354E+01 0.289E-02 -.188E-02 -.138E-02
0.569E+02 -.133E+03 -.127E+03 -.578E+02 0.139E+03 0.138E+03 0.956E+00 -.592E+01 -.107E+02 0.114E-02 0.461E-06 -.237E-02
-.719E+02 -.151E+03 -.732E+00 0.608E+02 0.171E+03 -.697E+00 0.111E+02 -.198E+02 0.141E+01 -.619E-02 0.733E-03 0.616E-02
-.834E+02 0.490E+02 0.343E+02 0.754E+02 -.432E+02 -.424E+02 0.794E+01 -.588E+01 0.802E+01 -.835E-03 -.277E-02 0.354E-02
0.527E+02 -.727E+02 -.203E+02 -.511E+02 0.712E+02 0.193E+02 -.162E+01 0.156E+01 0.106E+01 -.122E-02 0.125E-02 -.274E-02
0.977E+02 -.101E+03 -.552E+02 -.949E+02 0.102E+03 0.576E+02 -.285E+01 -.138E+01 -.237E+01 0.894E-03 0.544E-03 -.248E-02
-.368E+02 0.618E+02 0.393E+02 0.472E+02 -.842E+02 -.379E+02 -.104E+02 0.224E+02 -.135E+01 -.527E-02 -.546E-02 -.610E-02
-.561E+02 -.156E+03 -.603E+02 0.689E+02 0.161E+03 0.636E+02 -.128E+02 -.453E+01 -.329E+01 0.300E-02 -.922E-03 -.561E-02
0.128E+03 -.257E+02 0.139E+03 -.134E+03 0.246E+02 -.157E+03 0.615E+01 0.115E+01 0.184E+02 0.197E-03 -.147E-03 0.192E-02
0.132E+03 -.124E+03 -.284E+02 -.153E+03 0.113E+03 0.899E+01 0.212E+02 0.104E+02 0.194E+02 0.685E-03 -.476E-02 -.378E-02
-.779E+01 0.164E+03 0.122E+03 0.794E+01 -.176E+03 -.128E+03 -.144E+00 0.117E+02 0.522E+01 -.210E-03 0.710E-03 0.390E-02
-.105E+03 -.499E+02 0.165E+02 0.108E+03 0.510E+02 -.261E+02 -.327E+01 -.109E+01 0.958E+01 -.111E-02 -.156E-02 -.569E-05
0.727E+02 -.276E+02 0.998E+02 -.803E+02 0.307E+02 -.962E+02 0.770E+01 -.312E+01 -.358E+01 -.119E-02 -.107E-02 0.630E-02
-.127E+02 0.595E+01 0.184E+03 0.256E+01 -.272E+01 -.186E+03 0.101E+02 -.324E+01 0.189E+01 -.233E-02 -.136E-02 0.737E-02
0.210E+02 0.942E+00 0.147E+03 -.230E+02 -.168E+01 -.152E+03 0.200E+01 0.736E+00 0.568E+01 -.464E-03 -.645E-03 0.747E-02
-.183E+02 0.173E+03 -.842E+02 0.213E+02 -.176E+03 0.989E+02 -.298E+01 0.303E+01 -.147E+02 -.228E-02 0.364E-02 -.379E-03
-.604E+02 0.196E+03 -.583E+02 0.630E+02 -.208E+03 0.688E+02 -.257E+01 0.117E+02 -.105E+02 -.428E-03 0.502E-02 -.534E-02
0.272E+02 0.154E+03 -.615E+02 -.427E+02 -.161E+03 0.676E+02 0.155E+02 0.654E+01 -.609E+01 0.669E-03 0.562E-02 0.273E-03
0.960E+02 0.206E+02 -.960E+02 -.102E+03 -.194E+02 0.898E+02 0.593E+01 -.123E+01 0.617E+01 0.140E-01 -.639E-03 -.288E-02
0.997E+02 0.118E+03 -.446E+02 -.105E+03 -.129E+03 0.399E+02 0.543E+01 0.105E+02 0.477E+01 0.990E-02 0.231E-02 0.154E-02
-.110E+03 0.842E+02 -.286E+02 0.108E+03 -.885E+02 0.319E+02 0.189E+01 0.429E+01 -.334E+01 0.564E-03 -.180E-02 0.279E-03
-.500E+02 -.339E+02 0.794E+02 0.440E+02 0.366E+02 -.770E+02 0.596E+01 -.264E+01 -.240E+01 0.353E-02 -.445E-02 0.468E-02
-.536E+02 0.125E+03 0.169E+03 0.522E+02 -.137E+03 -.180E+03 0.130E+01 0.118E+02 0.107E+02 0.773E-02 -.250E-02 0.824E-03
-.774E+02 0.440E+02 0.171E+02 0.778E+02 -.506E+02 -.160E+02 -.387E+00 0.657E+01 -.106E+01 0.159E-02 -.429E-02 0.714E-02
0.360E+02 0.709E+02 0.507E+02 -.341E+02 -.791E+02 -.536E+02 -.191E+01 0.823E+01 0.290E+01 0.374E-02 -.365E-02 0.540E-02
0.782E+01 -.854E+01 -.279E+02 -.103E+02 0.117E+02 0.320E+02 0.249E+01 -.314E+01 -.414E+01 0.664E-02 0.147E-03 0.652E-02
-.537E+02 -.362E+02 0.236E+02 0.643E+02 0.313E+02 -.386E+02 -.106E+02 0.498E+01 0.150E+02 -.582E-03 -.972E-02 -.442E-02
0.152E+02 -.499E+02 -.554E+02 -.213E+02 0.538E+02 0.568E+02 0.609E+01 -.393E+01 -.140E+01 0.505E-02 -.659E-02 0.733E-02
0.490E+02 -.191E+03 -.754E+02 -.631E+02 0.214E+03 0.971E+02 0.141E+02 -.229E+02 -.216E+02 -.387E-02 -.678E-02 0.319E-02
-.622E+02 -.558E+02 -.213E+02 0.708E+02 0.480E+02 0.226E+02 -.860E+01 0.779E+01 -.129E+01 -.174E-02 -.109E-01 -.150E-02
-.178E+02 0.161E+02 -.134E+03 0.345E+02 -.218E+02 0.119E+03 -.167E+02 0.579E+01 0.143E+02 0.101E-01 -.223E-02 -.559E-02
0.119E+03 0.158E+03 0.117E+03 -.128E+03 -.172E+03 -.129E+03 0.862E+01 0.132E+02 0.122E+02 0.224E-02 -.198E-02 -.803E-03
-.661E+02 -.394E+02 -.835E+01 0.656E+02 0.376E+02 0.428E+01 0.442E+00 0.176E+01 0.406E+01 0.173E-02 -.103E-02 0.941E-03
0.567E+02 0.175E+02 0.399E+02 -.590E+02 -.164E+02 -.393E+02 0.226E+01 -.111E+01 -.622E+00 -.106E-03 0.193E-02 -.284E-02
-.603E+02 -.277E+02 -.340E+02 0.602E+02 0.270E+02 0.332E+02 0.109E+00 0.644E+00 0.795E+00 -.116E-02 0.603E-04 -.320E-03
0.133E+02 -.118E+03 -.711E+02 -.192E+02 0.120E+03 0.739E+02 0.593E+01 -.233E+01 -.280E+01 0.578E-03 0.147E-02 -.941E-03
-.454E+01 -.745E+02 -.353E+02 -.131E+01 0.701E+02 0.295E+02 0.584E+01 0.440E+01 0.574E+01 0.182E-02 -.317E-02 0.456E-03
-.862E+02 -.977E+02 -.363E+02 0.968E+02 0.916E+02 0.315E+02 -.106E+02 0.619E+01 0.487E+01 0.333E-02 -.421E-02 0.152E-02
0.542E+01 0.223E+03 -.690E+02 -.741E+01 -.214E+03 0.106E+03 0.201E+01 -.904E+01 -.371E+02 -.537E-02 0.624E-02 0.262E-02
-.705E+02 0.474E+02 -.543E+02 0.929E+02 -.423E+02 0.546E+02 -.224E+02 -.508E+01 -.346E+00 -.260E-02 0.717E-02 -.267E-02
-.182E+02 0.321E+03 0.151E+03 0.189E+02 -.349E+03 -.161E+03 -.708E+00 0.278E+02 0.101E+02 0.683E-03 0.719E-02 -.511E-03
0.167E+03 0.259E+02 0.616E+02 -.172E+03 -.394E+01 -.556E+02 0.554E+01 -.220E+02 -.599E+01 -.221E-02 0.747E-02 0.316E-02
-.136E+03 0.339E+02 0.618E+00 0.156E+03 -.151E+02 0.257E+02 -.201E+02 -.188E+02 -.262E+02 -.433E-03 -.206E-02 0.663E-03
0.669E+02 -.180E+03 -.563E+02 -.715E+02 0.201E+03 0.513E+02 0.462E+01 -.204E+02 0.495E+01 0.126E-02 -.211E-03 -.227E-02
-.349E+02 0.863E+02 0.574E+02 0.413E+02 -.907E+02 -.572E+02 -.637E+01 0.434E+01 -.158E+00 -.145E-02 0.575E-02 0.277E-02
-.805E+02 -.126E+02 0.388E+02 0.883E+02 0.170E+02 -.370E+02 -.782E+01 -.440E+01 -.171E+01 0.226E-02 -.151E-02 0.367E-02
0.441E+02 0.274E+02 0.920E+02 -.500E+02 -.304E+02 -.101E+03 0.596E+01 0.298E+01 0.928E+01 0.267E-02 0.423E-02 -.236E-02
0.963E+02 0.455E+02 0.599E+02 -.966E+02 -.471E+02 -.408E+02 0.197E+00 0.161E+01 -.191E+02 -.103E-01 0.107E-02 -.343E-02
0.358E+02 0.129E+03 0.618E+02 -.366E+02 -.131E+03 -.622E+02 0.787E+00 0.215E+01 0.411E+00 -.306E-02 0.749E-02 0.226E-02
0.169E+02 0.798E+02 0.565E+02 -.136E+02 -.698E+02 -.585E+02 -.326E+01 -.994E+01 0.205E+01 0.189E-02 0.457E-02 0.160E-02
0.103E+03 -.333E+02 -.773E+02 -.107E+03 0.301E+02 0.764E+02 0.422E+01 0.314E+01 0.883E+00 -.178E-02 0.783E-02 -.192E-02
-.573E+02 0.723E+02 0.328E+02 0.735E+02 -.707E+02 -.335E+02 -.162E+02 -.157E+01 0.687E+00 0.357E-02 0.309E-02 0.499E-03
0.102E+03 0.165E+02 -.128E+03 -.116E+03 -.211E+02 0.141E+03 0.134E+02 0.463E+01 -.131E+02 0.127E-02 0.170E-03 -.258E-02
-.216E+01 -.220E+02 -.462E+02 0.148E+01 0.242E+02 0.482E+02 0.659E+00 -.216E+01 -.207E+01 0.503E-02 0.521E-02 0.267E-02
0.511E+02 -.930E+02 -.399E+02 -.446E+02 0.936E+02 0.417E+02 -.655E+01 -.519E+00 -.174E+01 0.222E-03 0.132E-02 -.451E-02
0.151E+03 -.253E+02 -.460E+02 -.168E+03 0.267E+02 0.445E+02 0.167E+02 -.144E+01 0.147E+01 -.205E-02 -.344E-03 -.108E-02
-.129E+02 -.106E+03 -.108E+02 0.968E+01 0.105E+03 0.531E+01 0.323E+01 0.185E+01 0.546E+01 0.486E-03 0.398E-02 0.943E-04
-.810E+02 0.369E+02 0.119E+03 0.966E+02 -.439E+02 -.128E+03 -.156E+02 0.704E+01 0.900E+01 -.989E-03 -.669E-02 -.955E-03
0.387E+02 -.113E+03 0.488E+02 -.513E+02 0.121E+03 -.538E+02 0.127E+02 -.812E+01 0.496E+01 -.523E-02 -.290E-02 0.321E-02
0.569E+02 -.128E+03 -.115E+03 -.580E+02 0.137E+03 0.114E+03 0.113E+01 -.891E+01 0.482E+00 -.146E-02 -.125E-02 0.252E-03
-.222E+02 -.153E+03 0.585E+02 0.202E+02 0.161E+03 -.755E+02 0.204E+01 -.749E+01 0.169E+02 -.268E-02 -.542E-02 0.951E-03
0.248E+02 -.106E+03 -.767E+02 -.270E+02 0.115E+03 0.750E+02 0.227E+01 -.854E+01 0.167E+01 -.103E-02 -.372E-02 -.386E-02
-.543E+02 0.281E+02 -.187E+03 0.448E+02 -.178E+02 0.223E+03 0.943E+01 -.103E+02 -.357E+02 -.788E-02 0.193E-02 0.637E-03
0.279E+02 -.180E+02 -.518E+02 -.376E+02 0.187E+02 0.482E+02 0.968E+01 -.656E+00 0.357E+01 0.228E-02 -.918E-04 0.385E-02
-.485E+02 0.117E+03 -.311E+02 0.501E+02 -.119E+03 0.326E+02 -.168E+01 0.162E+01 -.145E+01 0.323E-02 0.438E-02 -.143E-02
-.455E+02 -.148E+02 -.194E+02 0.476E+02 0.242E+02 0.185E+02 -.207E+01 -.943E+01 0.956E+00 0.109E-02 -.840E-03 -.425E-02
0.213E+03 -.103E+03 -.135E+02 -.246E+03 0.947E+02 -.263E+01 0.334E+02 0.856E+01 0.161E+02 -.365E-02 -.249E-02 0.243E-02
-.169E+03 -.157E+03 -.417E+02 0.180E+03 0.189E+03 0.326E+02 -.105E+02 -.320E+02 0.907E+01 -.189E-02 -.468E-02 -.387E-02
-.101E+03 0.154E+03 -.591E+02 0.998E+02 -.168E+03 0.711E+02 0.976E+00 0.145E+02 -.120E+02 -.143E-02 0.104E-02 0.348E-02
-.281E+03 0.134E+03 0.107E+03 0.312E+03 -.142E+03 -.880E+02 -.315E+02 0.751E+01 -.193E+02 0.457E-02 0.623E-02 -.382E-02
-.892E+02 0.889E+02 0.169E+02 0.901E+02 -.776E+02 -.126E+02 -.862E+00 -.113E+02 -.435E+01 -.737E-02 0.737E-02 0.298E-02
-.428E+02 -.272E+02 0.831E+02 0.396E+02 0.372E+02 -.884E+02 0.316E+01 -.101E+02 0.529E+01 0.504E-02 -.332E-03 0.413E-02
0.304E+02 0.156E+03 -.639E+02 -.319E+02 -.182E+03 0.860E+02 0.147E+01 0.259E+02 -.222E+02 -.146E-03 -.691E-02 0.147E-02
-.327E+02 0.157E+03 0.371E+02 0.337E+02 -.166E+03 -.370E+02 -.104E+01 0.823E+01 -.285E-01 -.508E-03 0.886E-02 -.909E-03
0.625E+01 0.697E+02 0.977E+02 -.638E+01 -.671E+02 -.999E+02 0.140E+00 -.259E+01 0.215E+01 -.111E-02 0.812E-02 0.243E-02
-.660E+02 0.309E+03 0.114E+03 0.734E+02 -.334E+03 -.121E+03 -.742E+01 0.250E+02 0.762E+01 -.388E-02 0.864E-02 -.501E-03
-.466E+02 -.272E+02 0.734E+02 0.518E+02 0.325E+02 -.770E+02 -.520E+01 -.535E+01 0.356E+01 -.469E-02 0.887E-02 -.325E-03
-.953E+02 -.148E+03 -.551E+01 0.976E+02 0.163E+03 -.113E+01 -.227E+01 -.153E+02 0.663E+01 -.108E-01 -.130E-02 -.797E-03
-.948E+02 -.178E+02 -.122E+03 0.101E+03 0.238E+02 0.131E+03 -.619E+01 -.601E+01 -.849E+01 -.602E-02 -.235E-02 -.324E-02
-.579E+02 -.378E+02 0.322E+02 0.661E+02 0.429E+02 -.439E+02 -.818E+01 -.511E+01 0.117E+02 -.526E-02 0.314E-02 0.118E-02
-.331E+02 0.417E+02 -.790E+02 0.335E+02 -.400E+02 0.820E+02 -.338E+00 -.174E+01 -.300E+01 -.413E-02 0.410E-02 -.193E-02
0.210E+02 -.856E+02 -.946E+02 -.176E+02 0.104E+03 0.904E+02 -.340E+01 -.182E+02 0.417E+01 -.375E-02 0.656E-02 -.580E-02
-.175E+02 -.181E+01 -.147E+02 0.176E+02 0.202E+01 0.179E+02 -.129E+00 -.214E+00 -.324E+01 -.671E-03 -.220E-03 -.366E-04
-.325E+02 0.684E+01 0.100E+02 0.346E+02 -.794E+01 -.122E+02 -.206E+01 0.111E+01 0.221E+01 -.498E-03 0.367E-04 0.742E-03
0.924E+01 -.328E+02 -.135E+02 -.980E+01 0.356E+02 0.150E+02 0.586E+00 -.271E+01 -.156E+01 -.112E-03 0.375E-03 0.104E-03
-.753E+01 -.123E+02 -.638E+02 0.865E+01 0.104E+02 0.690E+02 -.110E+01 0.194E+01 -.518E+01 0.324E-03 -.299E-03 0.183E-03
-.305E+02 0.653E+01 0.911E+00 0.336E+02 -.705E+01 -.815E+00 -.313E+01 0.522E+00 -.830E-01 -.136E-03 0.156E-03 -.121E-03
0.540E+02 -.298E+02 -.123E+02 -.593E+02 0.317E+02 0.122E+02 0.531E+01 -.199E+01 0.307E-01 -.216E-03 -.456E-03 -.209E-03
0.144E+02 0.227E+02 -.366E+02 -.142E+02 -.253E+02 0.381E+02 -.201E+00 0.255E+01 -.142E+01 0.155E-02 -.115E-04 -.143E-02
0.274E+02 -.827E+01 -.376E+02 -.293E+02 0.100E+02 0.391E+02 0.190E+01 -.174E+01 -.153E+01 0.144E-02 -.232E-04 -.854E-03
-.195E+02 0.138E+02 0.324E+02 0.214E+02 -.151E+02 -.343E+02 -.188E+01 0.132E+01 0.191E+01 0.414E-03 -.396E-03 -.307E-03
-.575E+01 0.320E+02 0.234E+02 0.731E+01 -.343E+02 -.250E+02 -.158E+01 0.225E+01 0.158E+01 -.550E-03 0.824E-03 0.379E-03
0.855E+01 -.361E+02 -.270E+02 -.879E+01 0.379E+02 0.286E+02 0.265E+00 -.188E+01 -.160E+01 0.441E-03 0.982E-04 -.770E-03
-.219E+02 -.188E+02 0.175E+02 0.245E+02 0.196E+02 -.192E+02 -.266E+01 -.829E+00 0.166E+01 -.106E-02 0.487E-03 0.322E-03
0.134E+00 -.355E+01 0.164E+02 -.141E+01 0.322E+01 -.173E+02 0.126E+01 0.322E+00 0.868E+00 -.582E-03 -.242E-03 0.442E-03
-.155E+02 0.167E+02 -.304E+02 0.160E+02 -.192E+02 0.321E+02 -.461E+00 0.254E+01 -.171E+01 -.134E-02 -.296E-03 0.157E-03
-.201E+02 0.673E+01 -.250E+02 0.221E+02 -.827E+01 0.268E+02 -.195E+01 0.154E+01 -.179E+01 0.303E-03 0.144E-03 -.731E-03
-.266E+02 0.105E+00 -.256E+02 0.291E+02 0.298E+00 0.274E+02 -.256E+01 -.406E+00 -.175E+01 0.209E-03 -.335E-03 -.328E-03
-.354E+02 -.355E+02 -.526E+02 0.375E+02 0.389E+02 0.567E+02 -.200E+01 -.344E+01 -.402E+01 -.412E-03 -.102E-02 -.271E-03
-.522E+02 0.195E+02 0.438E+00 0.564E+02 -.225E+02 -.229E+01 -.424E+01 0.308E+01 0.187E+01 -.206E-03 -.110E-02 -.530E-04
0.138E+02 -.188E+01 -.153E+01 -.163E+02 0.359E+01 0.120E+01 0.240E+01 -.172E+01 0.320E+00 -.225E-03 0.999E-03 0.306E-03
0.202E+02 0.142E+01 -.139E+02 -.225E+02 -.215E+01 0.157E+02 0.235E+01 0.732E+00 -.189E+01 -.583E-04 0.548E-03 0.561E-03
0.198E+02 0.302E+02 -.177E+01 -.209E+02 -.328E+02 0.301E+01 0.114E+01 0.255E+01 -.124E+01 -.107E-03 0.468E-03 -.858E-04
0.597E+01 -.266E+02 -.357E+02 -.810E+01 0.287E+02 0.399E+02 0.214E+01 -.214E+01 -.428E+01 -.983E-03 0.346E-03 0.885E-03
-.580E+02 -.126E+02 -.239E+02 0.627E+02 0.136E+02 0.262E+02 -.468E+01 -.105E+01 -.228E+01 -.102E-02 0.299E-03 0.312E-03
0.348E+02 0.178E+02 -.100E+02 -.386E+02 -.200E+02 0.130E+02 0.378E+01 0.224E+01 -.302E+01 -.697E-03 -.664E-03 -.987E-04
0.213E+02 -.404E+02 0.350E+02 -.233E+02 0.444E+02 -.377E+02 0.196E+01 -.407E+01 0.269E+01 -.374E-03 -.939E-03 0.168E-03
-.974E+00 -.736E+02 -.113E+02 0.187E+01 0.788E+02 0.119E+02 -.894E+00 -.515E+01 -.616E+00 0.528E-04 -.963E-03 0.386E-03
0.278E+02 -.304E+02 0.132E+02 -.317E+02 0.336E+02 -.149E+02 0.390E+01 -.320E+01 0.167E+01 0.493E-03 -.246E-03 -.278E-03
0.126E+02 0.520E+02 0.681E+01 -.143E+02 -.569E+02 -.622E+01 0.166E+01 0.492E+01 -.602E+00 -.523E-03 -.182E-03 -.264E-03
0.207E+02 -.560E+02 0.150E+02 -.234E+02 0.595E+02 -.178E+02 0.269E+01 -.353E+01 0.279E+01 0.408E-03 -.546E-04 -.173E-03
0.608E+02 0.177E+02 0.118E+02 -.659E+02 -.187E+02 -.111E+02 0.511E+01 0.969E+00 -.746E+00 0.522E-03 -.267E-03 0.616E-03
0.414E+02 0.230E+02 0.511E+02 -.442E+02 -.254E+02 -.545E+02 0.284E+01 0.241E+01 0.347E+01 0.784E-04 0.300E-03 0.896E-03
-.491E+02 0.969E+01 0.428E+02 0.530E+02 -.112E+02 -.461E+02 -.386E+01 0.151E+01 0.329E+01 0.609E-03 0.149E-03 0.764E-03
0.124E+02 -.236E+02 -.346E+02 -.153E+02 0.262E+02 0.381E+02 0.282E+01 -.267E+01 -.359E+01 0.374E-03 0.893E-04 -.323E-03
-.357E+02 -.737E+01 -.288E+02 0.408E+02 0.768E+01 0.301E+02 -.513E+01 -.309E+00 -.123E+01 0.179E-02 0.236E-03 -.666E-03
0.171E+02 0.660E+02 -.329E+02 -.191E+02 -.701E+02 0.354E+02 0.198E+01 0.414E+01 -.254E+01 0.650E-03 -.176E-03 -.114E-03
0.726E+01 0.463E+02 -.643E+01 -.693E+01 -.515E+02 0.713E+01 -.336E+00 0.513E+01 -.713E+00 0.231E-03 0.269E-05 -.854E-04
-.305E+02 -.165E+02 0.529E+02 0.318E+02 0.182E+02 -.577E+02 -.129E+01 -.168E+01 0.479E+01 0.537E-03 -.591E-03 0.174E-04
-.117E+01 -.520E+02 0.442E+02 0.142E+00 0.545E+02 -.487E+02 0.101E+01 -.254E+01 0.446E+01 -.120E-03 -.173E-02 0.566E-04
0.152E+02 -.444E+02 -.565E+01 -.156E+02 0.492E+02 0.316E+01 0.378E+00 -.476E+01 0.249E+01 0.420E-03 -.138E-02 -.190E-03
-.517E+02 0.206E+02 -.685E+01 0.567E+02 -.222E+02 0.741E+01 -.504E+01 0.164E+01 -.534E+00 -.353E-03 0.221E-03 -.108E-04
0.736E+01 -.709E+02 -.174E+02 -.711E+01 0.760E+02 0.179E+02 -.249E+00 -.511E+01 -.506E+00 0.113E-03 0.311E-03 -.444E-05
-.431E+01 0.498E+02 0.316E+01 0.584E+01 -.547E+02 -.394E+01 -.153E+01 0.494E+01 0.789E+00 0.179E-03 -.833E-03 -.349E-03
0.346E+02 0.564E+02 0.268E+02 -.368E+02 -.602E+02 -.296E+02 0.216E+01 0.374E+01 0.288E+01 0.639E-04 0.100E-02 0.239E-03
-.147E+02 0.381E+02 -.277E+02 0.173E+02 -.426E+02 0.284E+02 -.258E+01 0.451E+01 -.609E+00 -.693E-03 0.107E-02 -.626E-03
-.460E+02 0.180E+02 0.377E+02 0.507E+02 -.196E+02 -.395E+02 -.461E+01 0.165E+01 0.187E+01 -.263E-03 0.104E-03 0.368E-03
-.127E+02 0.446E+02 0.166E+01 0.124E+02 -.499E+02 -.194E+01 0.347E+00 0.539E+01 0.283E+00 -.438E-03 0.391E-03 0.153E-03
0.453E+01 -.618E+02 0.155E+02 -.492E+01 0.668E+02 -.173E+02 0.379E+00 -.496E+01 0.181E+01 -.455E-03 -.130E-02 0.104E-03
-.353E+02 0.742E+01 0.393E+02 0.385E+02 -.834E+01 -.432E+02 -.326E+01 0.915E+00 0.391E+01 0.364E-03 -.424E-03 0.318E-03
0.395E+02 0.135E+02 0.351E+02 -.431E+02 -.161E+02 -.380E+02 0.352E+01 0.257E+01 0.290E+01 -.525E-03 0.790E-03 0.366E-03
-.312E+02 0.274E+02 -.292E+02 0.336E+02 -.297E+02 0.331E+02 -.240E+01 0.234E+01 -.393E+01 -.317E-03 -.364E-04 0.758E-03
0.179E+01 -.314E+02 0.370E+02 -.283E+01 0.340E+02 -.416E+02 0.102E+01 -.259E+01 0.462E+01 -.179E-02 0.559E-04 -.929E-04
0.427E+02 0.297E+02 0.194E+02 -.479E+02 -.306E+02 -.194E+02 0.521E+01 0.852E+00 0.667E-02 -.782E-04 0.209E-03 0.481E-03
0.811E+01 0.339E+02 0.282E+02 -.908E+01 -.367E+02 -.326E+02 0.961E+00 0.280E+01 0.445E+01 -.259E-03 0.109E-02 -.409E-03
0.221E+02 -.423E+02 0.352E+01 -.243E+02 0.468E+02 -.145E+01 0.215E+01 -.450E+01 -.207E+01 -.242E-03 0.162E-02 0.686E-03
0.155E+02 0.380E+02 -.434E+02 -.166E+02 -.417E+02 0.471E+02 0.115E+01 0.363E+01 -.370E+01 -.131E-03 0.860E-03 -.492E-03
-.450E+02 0.399E+02 0.319E+02 0.465E+02 -.439E+02 -.353E+02 -.146E+01 0.398E+01 0.334E+01 -.255E-03 0.488E-03 0.670E-03
-.582E+02 -.307E+02 0.549E+01 0.629E+02 0.328E+02 -.558E+01 -.470E+01 -.215E+01 0.114E+00 -.590E-03 -.917E-04 0.439E-03
-.183E+02 -.178E+02 0.455E+02 0.191E+02 0.189E+02 -.507E+02 -.809E+00 -.110E+01 0.517E+01 -.462E-03 0.418E-03 0.974E-03
0.363E+02 -.285E+01 0.638E+02 -.387E+02 0.377E+01 -.684E+02 0.237E+01 -.924E+00 0.459E+01 -.329E-03 -.740E-04 -.783E-04
-.244E+02 -.264E+02 -.317E+02 0.278E+02 0.286E+02 0.351E+02 -.333E+01 -.221E+01 -.340E+01 0.401E-03 -.755E-03 -.404E-03
0.349E+02 -.175E+02 0.345E+02 -.377E+02 0.171E+02 -.388E+02 0.277E+01 0.347E+00 0.437E+01 0.822E-03 -.674E-03 0.820E-03
0.176E+02 0.250E+02 -.345E+02 -.200E+02 -.278E+02 0.383E+02 0.239E+01 0.272E+01 -.384E+01 -.184E-03 -.491E-03 -.249E-03
-.122E+02 0.567E+01 0.492E+02 0.146E+02 -.569E+01 -.539E+02 -.239E+01 0.210E-01 0.466E+01 -.208E-03 0.130E-04 -.835E-03
-.176E+02 -.548E+02 -.537E+02 0.195E+02 0.576E+02 0.578E+02 -.183E+01 -.281E+01 -.403E+01 0.188E-03 0.593E-04 -.362E-03
0.175E+02 -.278E+01 0.579E+02 -.171E+02 0.449E+01 -.629E+02 -.466E+00 -.171E+01 0.500E+01 0.692E-03 0.923E-04 0.296E-03
-.241E+02 0.459E+02 0.317E+01 0.275E+02 -.497E+02 -.189E+01 -.338E+01 0.382E+01 -.127E+01 -.839E-03 0.373E-03 0.348E-03
-.279E+02 -.422E+02 0.650E+01 0.283E+02 0.474E+02 -.619E+01 -.414E+00 -.525E+01 -.300E+00 0.256E-03 0.284E-03 0.815E-03
-.556E+02 -.753E+01 -.196E+02 0.605E+02 0.841E+01 0.212E+02 -.490E+01 -.889E+00 -.150E+01 -.157E-03 -.480E-04 -.496E-03
0.271E+02 -.294E+02 -.542E+02 -.293E+02 0.326E+02 0.576E+02 0.223E+01 -.311E+01 -.346E+01 0.131E-02 -.266E-03 -.276E-03
-.180E+02 0.452E+02 0.259E+02 0.202E+02 -.473E+02 -.302E+02 -.214E+01 0.211E+01 0.439E+01 0.990E-03 0.176E-03 -.906E-03
-.314E+02 -.257E+02 -.402E+02 0.345E+02 0.275E+02 0.440E+02 -.313E+01 -.180E+01 -.376E+01 -.278E-04 -.544E-03 -.546E-03
-.573E+02 0.626E+01 -.128E+02 0.620E+02 -.738E+01 0.150E+02 -.464E+01 0.114E+01 -.215E+01 0.119E-03 -.504E-03 0.119E-03
-.199E+02 -.563E+02 -.219E+02 0.211E+02 0.601E+02 0.254E+02 -.117E+01 -.378E+01 -.343E+01 -.520E-03 -.192E-02 -.739E-03
-.350E+01 -.109E+02 -.649E+02 0.517E+01 0.118E+02 0.698E+02 -.165E+01 -.939E+00 -.494E+01 0.748E-03 -.750E-03 -.114E-02
0.261E+02 0.266E+02 -.381E+02 -.287E+02 -.295E+02 0.417E+02 0.258E+01 0.293E+01 -.362E+01 -.113E-03 0.247E-03 -.668E-04
0.313E+02 -.135E+02 -.513E+02 -.338E+02 0.120E+02 0.557E+02 0.246E+01 0.140E+01 -.432E+01 0.180E-03 -.494E-03 0.614E-03
-.313E+02 -.190E+02 0.349E+02 0.351E+02 0.215E+02 -.376E+02 -.378E+01 -.258E+01 0.270E+01 -.269E-03 -.725E-04 -.198E-03
0.579E+02 0.758E+01 -.230E+02 -.620E+02 -.498E+01 0.250E+02 0.410E+01 -.259E+01 -.202E+01 0.409E-03 0.876E-03 0.481E-04
0.438E+02 -.251E+01 0.266E+02 -.464E+02 0.167E+01 -.309E+02 0.256E+01 0.832E+00 0.434E+01 0.174E-03 0.119E-02 -.227E-03
0.289E+02 0.367E+02 0.237E+02 -.323E+02 -.405E+02 -.250E+02 0.339E+01 0.374E+01 0.132E+01 -.121E-03 0.524E-03 0.517E-03
-.550E+02 -.692E+01 0.152E+02 0.598E+02 0.798E+01 -.168E+02 -.488E+01 -.106E+01 0.163E+01 -.559E-03 0.101E-03 0.269E-03
-.225E+02 -.208E+02 -.435E+02 0.246E+02 0.216E+02 0.482E+02 -.213E+01 -.800E+00 -.468E+01 -.120E-02 -.735E-03 -.100E-02
-.567E+01 -.602E+02 -.155E+01 0.535E+01 0.654E+02 0.164E+01 0.320E+00 -.523E+01 -.935E-01 0.320E-05 -.552E-03 0.844E-03
0.300E+02 -.210E+02 -.306E+02 -.329E+02 0.226E+02 0.347E+02 0.288E+01 -.167E+01 -.407E+01 -.156E-02 0.132E-03 0.584E-03
0.372E+02 0.131E+02 -.239E+01 -.421E+02 -.148E+02 0.283E+01 0.489E+01 0.163E+01 -.468E+00 -.294E-03 -.114E-02 0.310E-03
0.143E+02 0.338E+02 0.554E+01 -.161E+02 -.386E+02 -.649E+01 0.178E+01 0.486E+01 0.939E+00 -.151E-02 0.492E-03 -.704E-03
-.227E+02 0.337E+02 0.598E+02 0.243E+02 -.355E+02 -.645E+02 -.167E+01 0.185E+01 0.466E+01 -.859E-04 -.354E-03 0.564E-03
0.508E+02 -.159E+02 -.305E+02 -.555E+02 0.179E+02 0.318E+02 0.468E+01 -.199E+01 -.126E+01 -.497E-03 0.824E-03 -.869E-03
-.396E+02 -.170E+02 0.407E+02 0.439E+02 0.184E+02 -.436E+02 -.428E+01 -.142E+01 0.290E+01 0.679E-03 0.101E-02 0.351E-03
-.483E+02 -.620E+01 -.198E+02 0.534E+02 0.706E+01 0.207E+02 -.511E+01 -.845E+00 -.808E+00 -.533E-03 0.985E-03 -.635E-03
-.694E+02 -.610E+01 -.192E+02 0.739E+02 0.748E+01 0.214E+02 -.457E+01 -.139E+01 -.217E+01 -.741E-03 -.417E-03 0.403E-03
0.222E+02 -.124E+02 -.342E+02 -.237E+02 0.125E+02 0.395E+02 0.148E+01 -.141E+00 -.529E+01 0.142E-03 -.952E-03 0.881E-03
-.210E+02 0.343E+02 0.199E+02 0.239E+02 -.389E+02 -.205E+02 -.293E+01 0.461E+01 0.668E+00 0.646E-03 -.107E-02 0.353E-03
-.257E+02 -.305E+02 0.729E+01 0.292E+02 0.346E+02 -.810E+01 -.348E+01 -.418E+01 0.827E+00 0.447E-03 -.535E-03 -.236E-04
0.915E+01 -.436E+02 -.444E+02 -.866E+01 0.486E+02 0.465E+02 -.481E+00 -.495E+01 -.204E+01 0.672E-03 0.211E-03 -.257E-03
0.532E+02 -.119E+01 0.417E+00 -.581E+02 0.733E+00 -.272E+01 0.489E+01 0.453E+00 0.229E+01 0.883E-03 0.335E-03 0.365E-03
0.183E+01 0.308E+02 -.604E+02 -.158E+01 -.344E+02 0.644E+02 -.225E+00 0.353E+01 -.409E+01 0.673E-03 0.202E-03 -.246E-03
0.158E+02 -.170E+02 -.437E+02 -.162E+02 0.202E+02 0.481E+02 0.485E+00 -.323E+01 -.439E+01 -.299E-03 0.279E-03 -.350E-03
0.513E+02 -.211E+01 0.204E+02 -.558E+02 0.235E+01 -.233E+02 0.449E+01 -.234E+00 0.290E+01 0.672E-03 0.490E-03 0.647E-03
0.870E+01 0.478E+02 -.331E+02 -.810E+01 -.528E+02 0.349E+02 -.583E+00 0.497E+01 -.177E+01 0.469E-04 0.861E-03 -.229E-03
0.735E+01 0.363E+02 -.240E+02 -.511E+01 -.408E+02 0.264E+02 -.223E+01 0.442E+01 -.238E+01 -.958E-04 0.225E-03 -.378E-03
0.191E+02 -.243E+02 -.335E+02 -.179E+02 0.288E+02 0.368E+02 -.111E+01 -.444E+01 -.335E+01 0.105E-04 -.121E-03 -.469E-03
0.666E+02 0.999E+01 -.223E+01 -.717E+02 -.108E+02 0.212E+01 0.512E+01 0.801E+00 0.837E-01 0.214E-03 0.349E-05 -.470E-05
0.368E+02 -.179E+02 0.346E+02 -.418E+02 0.199E+02 -.355E+02 0.506E+01 -.206E+01 0.965E+00 -.172E-03 0.919E-03 0.287E-03
-.164E+02 -.351E+02 0.920E+01 0.198E+02 0.394E+02 -.839E+01 -.342E+01 -.428E+01 -.800E+00 -.566E-03 0.997E-04 -.235E-04
0.471E+00 0.264E+02 0.567E+02 0.973E+00 -.289E+02 -.612E+02 -.145E+01 0.253E+01 0.448E+01 0.743E-04 0.481E-03 0.249E-03
0.442E+02 -.209E+02 0.112E+02 -.485E+02 0.240E+02 -.127E+02 0.434E+01 -.310E+01 0.151E+01 0.282E-03 -.272E-03 -.328E-03
0.898E+01 -.117E+02 -.363E+02 -.900E+01 0.114E+02 0.418E+02 0.359E-01 0.359E+00 -.556E+01 -.199E-04 -.298E-03 -.230E-03
-.361E+02 -.232E+02 0.119E+02 0.405E+02 0.261E+02 -.133E+02 -.435E+01 -.297E+01 0.140E+01 0.898E-04 -.816E-04 -.489E-03
0.239E+02 0.365E+02 0.655E+00 -.274E+02 -.406E+02 0.855E+00 0.351E+01 0.409E+01 -.152E+01 -.172E-03 0.167E-03 -.146E-03
0.293E+01 0.146E+02 0.435E+02 -.224E+01 -.145E+02 -.489E+02 -.703E+00 -.105E+00 0.537E+01 -.158E-03 0.832E-03 0.172E-03
-.447E+02 0.221E+02 -.175E+02 0.495E+02 -.236E+02 0.194E+02 -.472E+01 0.150E+01 -.194E+01 -.754E-03 0.717E-03 -.287E-03
0.163E+02 0.322E+02 0.151E+02 -.171E+02 -.370E+02 -.168E+02 0.767E+00 0.473E+01 0.169E+01 0.521E-03 -.239E-04 -.763E-03
0.400E+02 -.335E+02 0.324E+02 -.434E+02 0.367E+02 -.354E+02 0.341E+01 -.324E+01 0.296E+01 0.100E-02 -.200E-03 -.891E-03
-.259E+02 -.153E+02 0.225E+02 0.312E+02 0.166E+02 -.237E+02 -.529E+01 -.132E+01 0.130E+01 0.656E-03 0.311E-03 -.979E-03
-.137E+02 0.293E+02 0.247E+02 0.169E+02 -.334E+02 -.266E+02 -.312E+01 0.415E+01 0.194E+01 -.136E-03 0.101E-02 -.170E-03
-.500E+01 -.249E+01 -.346E+02 0.562E+01 0.227E+01 0.400E+02 -.600E+00 0.222E+00 -.539E+01 -.101E-02 0.636E-03 -.721E-03
0.459E+02 0.701E+01 0.290E+02 -.511E+02 -.820E+01 -.301E+02 0.512E+01 0.119E+01 0.106E+01 -.423E-03 0.111E-02 0.287E-03
0.373E+02 0.571E+01 -.213E+02 -.415E+02 -.726E+01 0.243E+02 0.415E+01 0.154E+01 -.308E+01 0.355E-03 -.421E-03 -.517E-03
-.194E+02 -.363E+02 -.314E+02 0.221E+02 0.404E+02 0.340E+02 -.273E+01 -.412E+01 -.256E+01 0.184E-03 -.585E-03 -.611E-03
0.239E+02 -.899E+01 0.285E+02 -.262E+02 0.113E+02 -.331E+02 0.221E+01 -.229E+01 0.462E+01 0.556E-03 -.960E-03 0.131E-03
-.580E+02 0.226E+01 -.445E+01 0.633E+02 -.371E+01 0.431E+01 -.530E+01 0.145E+01 0.155E+00 -.532E-03 -.787E-04 0.261E-03
0.929E+01 0.212E+02 -.226E+02 -.125E+02 -.259E+02 0.228E+02 0.321E+01 0.464E+01 -.236E+00 -.644E-03 0.375E-03 -.294E-03
-.381E+01 -.182E+02 -.577E+02 0.306E+01 0.205E+02 0.623E+02 0.763E+00 -.233E+01 -.462E+01 -.734E-03 0.769E-03 0.751E-04
-.492E+02 0.111E+02 -.156E+00 0.538E+02 -.139E+02 -.758E+00 -.455E+01 0.277E+01 0.931E+00 -.190E-02 -.591E-03 -.224E-03
-.170E+02 -.347E+02 -.507E+02 0.175E+02 0.370E+02 0.554E+02 -.435E+00 -.235E+01 -.477E+01 -.167E-02 -.109E-02 0.364E-03
0.212E+02 0.213E+02 -.550E+01 -.255E+02 -.247E+02 0.577E+01 0.430E+01 0.335E+01 -.281E+00 -.171E-02 -.764E-03 0.180E-03
-.161E+02 -.433E+02 -.454E+01 0.179E+02 0.480E+02 0.652E+01 -.188E+01 -.470E+01 -.197E+01 -.532E-03 -.495E-03 -.951E-03
-.408E+02 0.227E+02 0.436E+02 0.449E+02 -.252E+02 -.461E+02 -.409E+01 0.247E+01 0.249E+01 -.758E-03 -.255E-03 -.488E-03
0.285E+02 -.114E+02 0.393E+02 -.323E+02 0.126E+02 -.430E+02 0.374E+01 -.117E+01 0.369E+01 -.684E-04 -.441E-03 -.400E-03
0.360E+02 -.940E+01 0.251E+02 -.391E+02 0.119E+02 -.288E+02 0.310E+01 -.249E+01 0.368E+01 0.264E-03 -.573E-03 -.569E-03
0.895E+01 0.400E+02 0.129E+02 -.822E+01 -.452E+02 -.146E+02 -.737E+00 0.512E+01 0.167E+01 0.429E-04 -.562E-03 -.116E-02
0.361E+02 0.963E+01 -.465E+02 -.390E+02 -.992E+01 0.510E+02 0.293E+01 0.304E+00 -.454E+01 -.423E-03 -.338E-03 -.634E-03
0.845E+01 -.406E+02 0.303E+02 -.698E+01 0.453E+02 -.330E+02 -.147E+01 -.466E+01 0.271E+01 -.754E-03 0.187E-02 0.375E-03
0.397E+02 0.332E+02 0.435E+02 -.430E+02 -.358E+02 -.469E+02 0.329E+01 0.261E+01 0.332E+01 -.508E-03 0.178E-02 0.660E-03
0.341E+02 -.170E+02 -.138E+02 -.373E+02 0.185E+02 0.182E+02 0.322E+01 -.148E+01 -.440E+01 -.111E-02 0.206E-02 0.109E-02
-.252E+02 -.358E+02 0.106E+02 0.275E+02 0.401E+02 -.128E+02 -.228E+01 -.434E+01 0.220E+01 0.816E-04 0.290E-03 -.463E-03
-.280E+02 0.263E+02 -.373E+01 0.320E+02 -.299E+02 0.482E+01 -.399E+01 0.356E+01 -.107E+01 -.521E-04 0.578E-04 -.619E-03
0.180E+02 0.289E+02 0.212E+02 -.211E+02 -.312E+02 -.250E+02 0.316E+01 0.239E+01 0.378E+01 0.463E-03 0.170E-03 -.325E-03
-.270E+02 0.290E+02 -.255E+02 0.297E+02 -.332E+02 0.276E+02 -.269E+01 0.425E+01 -.208E+01 -.149E-02 0.128E-02 0.452E-03
-.401E+01 -.431E+02 -.337E+02 0.479E+01 0.472E+02 0.369E+02 -.765E+00 -.413E+01 -.328E+01 -.181E-02 0.571E-03 0.325E-03
0.342E+02 -.355E+01 -.313E+01 -.398E+02 0.227E+01 0.341E+01 0.561E+01 0.128E+01 -.305E+00 -.123E-02 0.156E-02 0.944E-03
0.427E+02 0.300E+02 0.157E+02 -.475E+02 -.316E+02 -.180E+02 0.476E+01 0.158E+01 0.226E+01 0.219E-03 0.911E-03 0.515E-03
-.347E+02 0.280E+02 0.280E+02 0.388E+02 -.298E+02 -.312E+02 -.406E+01 0.183E+01 0.322E+01 -.259E-04 0.749E-03 0.273E-03
0.603E+01 0.472E+02 -.481E+02 -.568E+01 -.496E+02 0.528E+02 -.333E+00 0.247E+01 -.473E+01 -.113E-03 0.909E-03 0.338E-05
-.534E+02 -.840E+01 -.297E+02 0.585E+02 0.772E+01 0.314E+02 -.506E+01 0.684E+00 -.178E+01 0.145E-03 -.674E-03 -.260E-03
0.349E+01 -.532E+02 0.143E+02 -.368E+01 0.581E+02 -.166E+02 0.182E+00 -.486E+01 0.231E+01 0.108E-03 0.143E-03 -.958E-04
0.299E+02 -.137E+02 -.449E+02 -.330E+02 0.138E+02 0.493E+02 0.314E+01 -.113E+00 -.440E+01 -.248E-03 -.277E-03 0.529E-03
-.157E+02 0.203E+02 -.436E+02 0.162E+02 -.232E+02 0.482E+02 -.481E+00 0.290E+01 -.461E+01 -.151E-03 0.930E-03 0.554E-03
-.526E+02 0.311E+01 0.964E+01 0.574E+02 -.319E+01 -.121E+02 -.479E+01 0.756E-01 0.242E+01 0.885E-04 0.926E-03 -.256E-03
0.904E+01 -.455E+02 -.188E+02 -.104E+02 0.505E+02 0.201E+02 0.139E+01 -.500E+01 -.136E+01 -.151E-04 0.548E-03 0.524E-04
0.108E+02 -.221E+02 -.430E+02 -.112E+02 0.231E+02 0.484E+02 0.406E+00 -.946E+00 -.541E+01 -.266E-03 -.115E-02 0.157E-03
0.101E+02 -.532E+02 0.196E+02 -.105E+02 0.581E+02 -.219E+02 0.385E+00 -.491E+01 0.232E+01 -.211E-04 -.919E-03 -.210E-03
0.345E+02 0.184E+02 0.168E+02 -.387E+02 -.213E+02 -.183E+02 0.425E+01 0.291E+01 0.150E+01 0.453E-03 -.440E-03 0.403E-03
0.235E+02 -.574E+02 -.647E+02 -.220E+02 0.619E+02 0.710E+02 -.144E+01 -.444E+01 -.637E+01 -.672E-03 -.149E-02 -.121E-02
0.810E+01 0.237E+02 -.406E+02 -.119E+02 -.271E+02 0.430E+02 0.378E+01 0.333E+01 -.239E+01 0.168E-03 -.118E-02 0.352E-03
-.339E+02 -.595E+02 -.103E+02 0.373E+02 0.638E+02 0.911E+01 -.343E+01 -.428E+01 0.114E+01 0.732E-03 0.253E-03 -.275E-03
-.226E+02 -.273E+01 0.906E+02 0.215E+02 0.537E+01 -.983E+02 0.111E+01 -.266E+01 0.773E+01 0.317E-03 0.805E-03 0.716E-03
0.224E+01 0.102E+03 0.408E+02 -.238E+01 -.110E+03 -.441E+02 0.148E+00 0.759E+01 0.335E+01 -.803E-03 0.277E-03 0.222E-03
-.293E+02 0.485E+02 0.636E+02 0.319E+02 -.525E+02 -.703E+02 -.260E+01 0.409E+01 0.670E+01 -.215E-03 -.107E-02 -.102E-03
-.578E+02 0.477E+02 0.108E+02 0.641E+02 -.522E+02 -.135E+02 -.628E+01 0.440E+01 0.263E+01 0.520E-03 -.949E-03 0.155E-03
0.372E+02 -.317E+02 0.119E+02 -.411E+02 0.359E+02 -.115E+02 0.387E+01 -.414E+01 -.411E+00 -.525E-03 -.711E-03 0.458E-03
-.207E+02 -.298E+01 0.601E+02 0.238E+02 0.388E+01 -.646E+02 -.310E+01 -.899E+00 0.447E+01 -.161E-03 -.121E-02 0.115E-03
0.188E+02 0.428E+02 0.990E+01 -.216E+02 -.478E+02 -.109E+02 0.282E+01 0.498E+01 0.102E+01 -.264E-03 -.181E-02 0.278E-03
-----------------------------------------------------------------------------------------------
-.163E+02 0.158E+02 0.289E+02 -.988E-12 -.107E-11 -.121E-11 0.163E+02 -.159E+02 -.288E+02 -.411E-01 0.491E-01 -.440E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.64130 1.48195 17.06686 0.001668 0.004678 -0.000237
4.49416 1.47461 6.57914 -0.020357 0.008198 0.004865
16.87465 4.72559 0.64210 0.004561 0.005666 -0.006887
5.32209 4.12215 5.03868 -0.002914 -0.003532 0.006516
1.68038 1.81433 9.00284 0.006955 -0.004027 -0.017214
4.78463 1.79534 13.44429 0.000978 0.000396 -0.002758
1.61027 4.66915 10.60826 -0.007621 -0.005862 0.012407
4.59805 4.61587 11.97981 0.026498 0.004720 0.002469
0.26161 7.88785 17.00236 0.001904 -0.011220 0.020428
4.32921 7.13260 6.13940 -0.017303 -0.006948 0.002454
1.15890 10.23199 2.22823 -0.009759 0.007493 0.013831
4.20088 9.48955 3.74727 0.030683 0.002748 0.000985
1.45899 6.44763 7.93469 0.010559 -0.000603 0.007866
4.91645 6.83530 14.41583 -0.008381 0.004969 -0.001515
5.04381 9.97606 13.84660 0.011105 -0.002803 0.006925
1.38468 13.25090 0.04831 0.011455 0.000180 0.002472
4.47329 13.77470 7.04349 -0.016372 -0.003343 0.007565
1.68038 15.88348 2.19124 -0.015176 -0.001903 -0.004276
4.12441 15.98169 4.64117 0.017796 -0.001709 -0.001497
1.45653 14.59339 7.97509 0.021990 0.008428 -0.012202
4.39514 13.02222 14.77718 -0.015007 0.009374 -0.006758
1.58282 16.18471 10.72169 -0.018789 -0.005306 -0.001709
4.61835 15.86238 12.36357 0.030366 0.001184 -0.011525
6.86533 2.10479 15.68320 0.019806 0.005132 0.001428
9.96566 1.59560 6.51562 -0.013581 -0.010893 0.007298
7.05307 5.23303 2.92548 -0.020409 0.003540 -0.003643
9.73943 4.05795 4.25244 0.003029 -0.015152 -0.000771
7.25165 1.45443 8.41426 0.038245 -0.011061 0.003487
9.83913 2.04175 14.59848 -0.014718 -0.011580 -0.009436
7.49552 4.33803 9.97543 0.001669 -0.004477 0.014869
9.77341 4.37686 12.41557 0.041162 -0.041381 -0.026452
7.22682 7.00105 0.30980 0.009165 -0.007890 -0.003653
9.97202 7.34572 5.63351 -0.014493 0.005806 0.000958
6.98320 9.88734 1.99971 -0.031722 -0.000697 -0.014282
9.73590 10.17024 3.86404 0.022551 0.005917 -0.004613
7.63242 6.85576 7.88022 0.012181 -0.009214 -0.006042
7.61050 11.17189 11.30094 -0.015323 -0.008066 0.008407
10.23990 11.36944 12.84014 0.014412 0.030915 0.008940
7.14840 12.18761 16.59028 0.025253 -0.003696 0.002621
10.22884 13.24453 6.56241 -0.030765 0.007376 0.000324
7.10575 15.96818 3.31164 0.091866 -0.004197 0.041289
9.97950 15.98224 4.67258 0.027969 0.008534 0.004476
7.45179 13.64033 8.60006 0.029694 0.009738 0.006659
10.19398 13.78605 14.74897 -0.017804 0.000791 -0.013183
7.33102 16.13774 10.58595 -0.015619 0.007615 0.006988
9.55519 16.50618 12.99608 0.013008 0.004132 -0.000025
12.29792 1.15202 16.68849 0.007248 -0.022000 -0.022005
15.94979 1.31242 7.49047 -0.031704 -0.004635 -0.000299
14.06815 3.25619 1.45263 -0.011823 -0.005399 -0.007632
15.37389 2.99052 4.61551 -0.002518 -0.003260 0.005485
12.89363 1.79944 8.93255 0.012779 -0.005743 -0.004269
15.41805 0.15091 15.53949 -0.017466 -0.010687 -0.003630
12.99762 3.86892 11.40390 -0.016086 -0.017885 -0.005025
15.87136 5.01711 12.22969 0.006450 0.007272 -0.009656
13.22439 8.02321 16.93093 0.044656 0.006139 0.023869
16.98300 5.51961 5.53579 0.016090 -0.008244 -0.015051
12.13156 10.55449 1.50748 -0.019866 -0.015240 0.014050
16.78484 10.30289 5.12038 0.009069 0.014789 -0.009885
15.25817 8.17019 14.35586 -0.016880 -0.003267 0.012319
12.33201 12.13905 11.06605 -0.018004 0.004159 -0.004605
14.90004 11.26743 12.89926 0.002485 -0.011612 0.024043
12.59055 13.57185 16.79932 0.015356 -0.003038 -0.006347
16.01921 13.07208 6.75947 -0.004876 0.001702 0.010584
11.94792 16.26053 1.98823 -0.016972 0.005661 -0.006037
14.34969 13.41515 4.27241 0.000078 0.000004 -0.022462
13.15835 13.25397 8.45778 0.019344 0.003774 0.007247
15.62701 13.28117 15.23578 -0.030592 0.018372 0.001207
13.61147 15.77134 10.64906 -0.033539 0.005373 0.010320
16.15717 15.95238 12.69911 0.016347 0.006392 -0.001938
1.36630 0.57081 1.55216 0.007832 -0.008824 -0.011863
0.90749 3.41863 0.01220 0.013740 0.004406 0.016848
4.02386 5.43039 5.36855 -0.002083 0.008100 -0.038524
3.20675 2.14583 7.86429 0.005199 -0.000051 0.005746
5.79533 5.02166 10.57088 -0.006244 -0.009543 -0.014034
17.04613 9.11755 1.21238 -0.007256 0.006591 -0.017276
2.77771 9.21184 2.48639 -0.007106 0.003933 0.015621
2.81274 7.56791 7.26121 0.005933 0.008011 0.000457
17.12039 8.39300 9.14021 -0.002979 -0.013807 0.009313
3.95717 11.55746 13.54766 0.002207 0.001012 -0.007260
6.41756 10.12232 12.42920 -0.009109 -0.001579 -0.005748
16.91775 8.50728 15.23401 -0.014588 0.012825 0.022183
1.44924 12.03119 1.55342 0.022617 -0.009836 -0.003739
4.79015 14.80725 13.98955 0.014754 -0.006113 -0.002558
3.11894 15.33125 11.36220 -0.006359 0.009725 0.006858
3.01007 12.98227 16.24154 -0.005624 0.009237 0.010417
10.48086 5.76133 4.69117 0.002901 -0.004840 0.022048
11.49701 4.95805 11.70314 -0.011113 0.002741 0.008261
8.52666 2.92191 15.57835 0.016775 0.002240 0.014450
10.14615 11.45833 5.54395 0.011283 0.004920 -0.014695
5.80521 7.27811 7.38692 0.002197 0.010252 -0.012518
6.47221 6.75235 15.61998 -0.006519 -0.012205 0.005000
6.87550 12.26300 9.84976 0.004922 -0.016777 -0.017513
8.78786 12.88218 15.53060 -0.003740 0.001705 -0.013271
15.84014 1.43929 5.57684 -0.027255 -0.002069 0.003935
15.29253 2.54539 2.69860 -0.003343 -0.006742 0.016997
14.65569 2.32085 8.38962 -0.010364 -0.002666 0.012570
11.64264 2.01754 7.39419 -0.010651 0.008108 0.010605
12.68831 0.12965 9.88359 -0.002891 -0.010932 -0.024396
15.37199 6.33518 13.63948 0.009535 0.000480 0.009409
13.54338 0.37040 15.51579 -0.005208 -0.006188 -0.007102
11.75200 6.98944 7.66611 0.013096 0.024351 0.026486
14.65657 9.39867 13.02233 -0.010749 0.005785 0.011668
11.79502 11.93639 0.23321 0.006536 -0.016289 -0.002940
15.58656 14.27083 5.41552 -0.016870 -0.012421 0.020547
12.64633 14.64776 1.25225 0.004029 0.003056 -0.000653
16.37253 14.38426 13.79067 0.009173 0.020583 0.009948
6.79786 4.16519 6.13587 0.007871 -0.004283 -0.010794
3.44639 2.11611 14.68090 -0.028048 -0.003634 -0.008299
3.40556 6.39583 15.41435 -0.019773 0.006113 -0.028223
4.68626 9.80119 15.71204 0.011894 -0.000338 0.005660
1.37490 15.81522 6.57811 -0.007041 0.018128 0.010008
7.09173 6.82662 3.84147 -0.028845 0.008070 0.001646
7.61854 10.48043 15.85029 0.031768 0.008044 0.012998
7.41829 15.85049 1.53055 -0.041139 0.011591 -0.012519
15.55537 16.72300 8.03611 -0.023600 0.009689 0.005789
13.07531 4.74919 1.82653 0.010493 0.037880 -0.018894
15.87247 16.00242 16.79215 0.002125 -0.010352 -0.004570
13.32401 2.60454 12.73746 -0.001326 0.002741 0.013335
0.55349 6.58966 4.23846 -0.043505 0.025981 -0.005109
15.18781 9.39179 4.84340 0.002177 0.020831 -0.044318
11.03012 13.47251 10.75416 -0.002549 -0.026459 -0.040249
15.23508 13.02112 2.66797 -0.020283 -0.029175 -0.010770
12.82571 15.26775 12.27065 0.007460 -0.004404 -0.003313
4.41016 11.95419 6.74208 -0.049136 -0.000260 0.007058
8.12483 8.21035 9.04425 0.041273 -0.003168 -0.020921
13.25215 17.02678 3.08046 -0.016887 -0.006083 0.022891
13.74952 3.77618 5.08690 -0.013671 -0.008834 -0.012037
11.37718 6.90393 15.32882 -0.025438 -0.012978 0.016969
4.66015 2.62459 5.40304 -0.020022 0.011660 -0.010601
5.77900 4.27531 3.43319 -0.028618 0.006249 0.004090
0.34396 1.69973 8.04798 0.015746 0.014066 -0.005669
1.80183 0.52075 10.02480 -0.001846 -0.001064 0.013449
4.75231 3.01563 12.34471 -0.011771 -0.002515 -0.003878
1.50853 3.14548 9.98834 0.004141 0.005900 -0.000801
4.95483 5.61676 13.24715 0.003655 0.007717 0.007145
2.96533 4.81031 11.54585 -0.010719 0.007641 -0.001576
16.29027 1.39859 16.27696 0.000643 0.003710 -0.011135
16.82527 6.26818 0.05612 0.001078 -0.003464 0.001544
4.31840 8.27303 4.89405 0.001961 -0.000102 0.002750
5.63210 9.69470 2.96166 0.003176 -0.002815 -0.008380
0.94899 5.35769 6.79559 0.012194 -0.010130 0.013038
1.85292 5.69214 9.33241 -0.006559 0.008925 0.003869
4.75637 8.28773 13.58014 0.000733 0.005093 -0.009904
0.07703 7.35388 8.20253 -0.001717 0.014205 -0.011755
4.28127 14.65731 5.60833 -0.003619 0.006997 -0.004694
1.65878 14.75351 0.94987 0.007797 -0.006771 0.004007
4.07929 0.13559 5.63735 0.002170 0.002150 -0.009931
5.62176 16.05905 3.83399 -0.051585 -0.003652 0.025847
3.00952 15.90906 3.37841 0.004908 -0.004753 -0.010892
3.08118 14.09611 7.94836 0.024325 -0.010212 -0.000823
0.22979 13.47442 7.69590 0.003451 -0.017131 0.013076
1.10931 15.18574 9.46985 -0.000598 0.011915 0.007622
4.55462 0.32129 12.75926 -0.013561 -0.000313 -0.005388
5.91150 15.72156 11.29938 -0.030729 0.010681 0.007685
16.98745 13.16091 16.30411 -0.008396 0.003496 0.003928
9.66034 2.88671 5.47622 -0.011392 0.001370 -0.000750
8.39084 4.29447 3.31769 -0.011864 -0.014872 -0.004391
8.63038 1.34779 7.47114 0.005763 0.009084 0.000284
5.92565 1.23635 7.41122 -0.007867 -0.006706 -0.009687
7.22980 0.30261 9.59099 0.001852 0.006157 -0.007594
10.15431 2.86940 13.21126 -0.003301 0.008637 0.009502
7.20243 2.90246 9.16206 -0.000819 0.006310 -0.005489
9.14959 5.39075 13.44089 0.006953 0.026032 0.021033
8.72389 4.11216 11.04060 0.000059 -0.007709 -0.010169
6.24953 1.79392 14.18237 -0.008945 -0.003370 -0.007849
6.87759 5.68401 1.32956 -0.002237 0.000191 -0.002973
9.84075 8.69249 4.65512 -0.003586 -0.003521 -0.004059
7.03818 8.42580 1.15370 -0.008987 -0.006199 0.002831
10.91710 10.34119 2.66859 0.002827 -0.003013 -0.003789
8.28372 10.10309 3.07469 0.004211 0.000681 0.002144
8.65363 6.97982 6.56309 -0.003498 0.000312 0.019288
7.85826 5.44184 8.74708 -0.012247 0.013723 -0.001185
10.10597 10.04835 13.80481 0.016207 -0.005369 -0.010356
10.83739 12.62468 13.70403 0.000266 -0.015238 0.003559
11.31386 10.95572 11.63479 0.002220 0.005816 -0.000463
8.78940 11.87294 12.23919 0.010527 0.009345 -0.009189
8.85669 6.92814 0.03484 -0.007428 0.006290 0.042798
6.87824 11.19834 1.06825 -0.021272 -0.014973 -0.010050
10.26929 14.61342 5.54581 0.006952 -0.010309 0.007684
10.18855 0.20600 5.55007 -0.001909 0.009106 0.005384
10.69093 16.02903 3.16085 0.017254 0.002201 -0.012587
8.30831 15.92985 4.34530 -0.074697 -0.000216 -0.051045
8.82136 13.37194 7.56562 -0.001819 0.003157 0.003604
6.00987 14.02419 7.72940 0.005354 0.013718 -0.000134
9.76327 15.09526 13.81738 0.000618 -0.013841 0.004551
7.81183 14.92572 9.56709 -0.006013 -0.018144 -0.003374
9.32222 0.52767 14.12772 0.004086 0.017921 -0.000687
8.39251 16.36971 11.82399 -0.012086 -0.000150 -0.005106
5.76943 12.65249 15.62051 -0.011093 0.006758 0.003695
11.64974 0.19028 0.72908 -0.002439 -0.015632 -0.008190
13.23632 2.28618 0.45670 0.014753 0.014480 0.011963
16.60590 4.08113 4.83090 -0.004456 0.007561 -0.001596
12.61809 3.04250 10.00590 0.004681 0.008846 -0.013367
0.18438 5.11219 11.39184 -0.009629 -0.013715 -0.002204
14.49995 4.73262 11.30831 0.001362 0.001079 -0.008769
11.14505 1.80514 15.70289 0.009890 0.005356 -0.001479
14.28711 7.45010 0.94314 -0.048569 0.052804 0.027465
12.46574 9.25570 0.51344 -0.000657 0.010339 -0.004310
16.43097 11.67451 5.98598 -0.004583 0.002953 -0.000749
0.41631 10.55243 3.71521 -0.001324 -0.001967 0.002561
15.60024 6.13394 6.19268 -0.003171 0.034362 0.020798
11.21682 7.79669 6.62071 -0.019132 0.003273 -0.003198
15.25687 11.88571 14.40339 0.007156 -0.000310 0.007707
16.25344 11.55229 11.97371 -0.005234 0.018475 -0.051670
13.64180 12.04542 12.11167 -0.001775 0.010547 0.003924
14.09704 8.35669 15.56774 0.001921 -0.006776 -0.011806
12.17400 6.83197 16.52245 0.007788 0.001827 -0.007598
14.57433 12.94056 7.62578 -0.001328 0.000562 0.004998
11.72967 13.33807 7.47123 0.000943 -0.002875 0.002484
12.95203 11.98855 9.51757 -0.002609 0.006222 0.010161
13.50918 14.60623 9.39438 -0.000288 -0.008614 -0.007482
15.85701 17.08572 13.91976 -0.000127 -0.009658 -0.008543
0.46195 16.24085 11.95896 -0.001409 -0.003199 0.006401
15.13818 16.00716 11.36409 0.010599 0.001951 0.005104
14.17680 13.51646 16.11868 0.002138 -0.008562 0.001752
11.53198 14.18770 15.67951 0.018527 0.013494 0.012208
16.92391 4.80592 2.12160 0.013405 -0.006029 -0.002363
1.60032 0.97197 16.06373 -0.002346 0.014554 0.014125
3.92472 10.74331 4.48010 0.026325 -0.005278 -0.002475
0.19047 8.00835 10.19211 0.022602 -0.003561 -0.009874
1.71798 7.63803 17.04262 0.004297 -0.004384 0.011890
16.08828 8.77206 9.12716 0.011584 -0.011870 -0.028068
6.95511 0.80876 16.43392 0.008025 -0.005469 0.006586
5.89561 2.96644 16.43872 0.023125 -0.002690 -0.010033
10.71641 3.42520 3.31277 -0.010382 0.007242 0.021361
8.34012 10.11240 10.56524 -0.020495 -0.004726 0.007771
7.05449 13.36323 0.39795 0.026366 -0.003384 0.006407
10.76927 16.86982 12.24806 -0.005891 -0.004088 0.016476
15.38458 4.13041 0.42849 -0.016099 -0.002279 -0.000550
16.09459 3.80439 13.07000 0.019442 0.004663 0.006215
0.59317 9.54525 6.01703 0.025489 0.003411 0.010676
13.34798 10.76343 2.33257 0.012084 -0.003493 0.029155
12.14168 7.65964 8.44669 0.017310 -0.016851 0.012797
12.58528 6.37210 7.28793 -0.002380 -0.011732 0.014153
13.16258 14.29877 4.08654 -0.006243 -0.002884 -0.013183
0.54839 15.53748 3.09632 0.019674 0.002482 -0.022944
13.80324 12.16558 4.87720 0.006239 0.000389 -0.011216
0.91160 1.01835 2.45828 0.010679 0.002087 -0.008799
1.87524 3.64498 0.49987 -0.003585 0.003645 0.012705
3.25506 4.96728 6.00880 -0.000883 -0.011724 -0.004584
2.79326 3.00644 7.29932 -0.016190 -0.005736 -0.006998
5.98140 6.10592 10.68932 0.005172 -0.002483 0.007132
16.24044 9.78543 0.85813 0.001560 -0.011301 -0.012521
2.41801 8.17364 2.61384 0.003379 0.001989 -0.003885
2.23067 8.30051 6.66901 -0.009973 -0.008728 -0.009268
2.88343 11.35484 13.71480 0.002723 -0.008609 -0.023884
5.78823 9.61135 11.66444 -0.015210 0.002576 -0.005457
0.57333 8.18287 14.59246 -0.007885 -0.004704 0.005207
0.85639 12.59142 2.29957 0.003690 0.009641 -0.012323
5.86655 14.88041 14.24237 -0.009830 -0.002760 0.025674
2.69174 14.46197 11.89779 0.011120 -0.002360 -0.004058
3.07138 11.88412 16.39565 -0.001883 -0.007951 -0.007921
10.75287 6.10286 3.67116 -0.021682 0.005720 0.001184
11.29455 5.49399 10.75773 -0.018111 -0.007290 0.000143
8.42836 3.90808 15.07535 -0.008393 -0.004945 -0.006791
11.19678 11.11990 5.65107 -0.007884 0.015963 0.022973
5.85714 8.38292 7.49817 0.000378 -0.003221 0.003475
6.79110 5.69803 15.47591 -0.001945 -0.002497 0.004758
6.41440 11.45931 9.23972 -0.008775 0.012877 -0.009833
9.36592 11.94574 15.64143 0.004751 -0.002579 0.007148
16.80958 1.09260 5.17316 0.004793 -0.003502 0.017598
15.21582 1.45137 2.63131 -0.001140 0.000509 0.000905
14.56593 3.34779 7.99745 -0.012207 -0.001581 -0.000985
12.33398 1.81887 6.54993 -0.013775 -0.005883 0.000680
11.94766 16.72630 9.27211 -0.001297 0.014907 -0.005695
15.88743 5.83284 14.48503 0.011716 0.007240 0.000044
13.33283 0.90497 14.57356 -0.024354 0.005592 0.007026
13.56502 9.21239 13.02772 0.002009 0.012712 -0.022326
11.55130 11.36044 16.46018 -0.013603 0.005222 0.003404
15.14653 15.18369 5.83654 0.003239 0.010574 -0.005496
12.40720 13.89156 2.02087 0.012228 -0.007371 -0.000803
16.67017 13.56346 13.11059 -0.012645 -0.009479 0.003837
2.37349 1.04217 1.50842 -0.003306 -0.010909 0.023082
1.01922 3.64906 16.09065 -0.023688 0.003484 -0.000805
3.51971 5.62539 4.40638 -0.013223 -0.003715 0.002779
3.91546 2.61670 8.57612 0.009610 -0.010463 0.003124
5.20925 4.94376 9.63393 -0.009873 -0.002623 0.006263
16.56820 8.53570 2.02136 0.007261 -0.008622 -0.001594
3.27242 9.21372 1.49481 -0.019702 0.002692 -0.003217
3.19475 8.15565 8.11641 0.016794 -0.010925 -0.005411
4.05550 11.91663 12.50988 -0.018120 0.006908 -0.006599
7.14332 9.32437 12.68751 0.007353 0.007346 0.011290
17.00988 9.60788 15.31180 0.002395 -0.000604 0.003547
2.49576 12.22470 1.86942 -0.003419 -0.005564 0.019369
4.30467 15.47782 14.72910 0.000454 0.008493 -0.009810
3.56390 14.89689 10.44805 -0.021073 0.003618 -0.003117
3.65629 13.36797 17.05881 0.008562 -0.005641 -0.002263
11.45877 5.51454 5.14916 -0.003758 0.014540 0.018257
11.76615 5.74727 12.42844 0.017002 -0.004331 0.003583
8.86314 3.10319 16.61327 0.026371 -0.007559 -0.013961
9.60758 10.85636 6.30130 0.008073 -0.007061 -0.009138
5.27553 6.97426 8.31475 0.018859 -0.001577 0.001388
7.25905 7.30510 15.06892 -0.002286 0.000820 0.011004
6.00918 12.81837 10.26410 0.001723 0.011766 -0.017430
8.25464 12.70090 14.57041 -0.017595 -0.000968 -0.003580
15.11272 0.65287 5.29858 -0.000179 0.004858 -0.014523
16.30872 2.77754 2.33443 0.008223 0.000533 0.019990
15.10480 2.46782 9.39284 0.015948 -0.006151 -0.005349
11.57887 3.12539 7.40596 0.004280 -0.005916 -0.003733
12.08711 0.48331 10.74532 0.005215 0.007345 0.002036
14.32474 5.97560 13.73534 -0.003168 -0.011663 -0.029055
13.18080 16.49031 15.32453 -0.003306 -0.000119 -0.011050
15.00927 9.01848 12.04616 -0.014184 -0.005046 0.004998
10.81415 12.37852 0.50462 0.002006 0.010307 -0.018948
16.46567 14.55604 4.81864 0.003047 0.001225 0.016407
13.72040 14.84594 1.42828 -0.013111 0.008808 0.020009
0.18279 14.69820 14.29048 -0.004226 -0.009892 0.018247
6.47569 4.19513 7.18208 0.017534 -0.000494 0.011986
7.36767 3.23984 5.99754 0.008079 -0.002603 0.013346
7.48135 5.00176 5.96656 0.006896 0.006912 0.013436
3.54444 3.12891 15.09784 0.009812 0.000649 0.000516
2.45412 2.02647 14.21594 0.008084 -0.000013 -0.013341
3.49790 1.39949 15.51085 0.019199 -0.000714 -0.003848
3.30694 7.04379 16.29207 0.019528 0.004303 -0.004774
2.47819 6.44592 14.82450 0.007069 0.001751 -0.008308
3.52713 5.36299 15.77782 0.011198 0.003839 -0.001181
5.12503 8.90974 16.17352 0.011832 0.004664 0.007426
4.88225 10.65990 16.35512 0.014414 -0.001408 0.001613
3.59132 9.63653 15.67645 -0.000800 -0.000325 -0.026349
0.37566 16.21440 6.39389 -0.001450 -0.000662 -0.013771
2.05584 16.65705 6.74435 0.003951 -0.005231 0.010038
1.68853 15.29339 5.66134 -0.009711 -0.004856 -0.002427
6.22590 7.42179 3.53600 0.004535 -0.003955 -0.009588
7.07399 6.73586 4.92914 0.017922 0.001655 0.007305
7.98081 7.40621 3.56014 0.003969 0.004166 0.012011
6.93300 9.68394 16.12903 0.000034 -0.001999 -0.005479
7.74108 10.50539 14.76034 -0.018163 0.004433 0.002570
8.59979 10.19184 16.25900 0.002341 0.002670 0.015054
7.23805 14.79303 1.19012 -0.008343 -0.003942 -0.002413
6.72913 16.49939 0.97153 -0.006596 -0.005271 -0.009704
8.45853 16.11548 1.30078 -0.003519 0.002840 0.031124
16.16868 15.91468 7.64104 0.005440 -0.003522 0.001313
15.66155 16.69183 9.13072 0.018782 0.002709 -0.004208
14.50453 16.49595 7.80379 0.004452 0.000918 -0.017557
12.24057 4.40891 2.46234 -0.002251 -0.007295 -0.004024
13.63379 5.53488 2.34945 0.002732 -0.012624 0.002426
12.64948 5.17749 0.90585 -0.010981 -0.007357 0.003362
16.93309 15.72969 16.75267 0.003370 -0.005532 0.017698
15.26411 15.09896 16.81842 -0.002435 -0.002988 -0.013105
15.75025 16.50907 0.60879 0.014210 0.001757 -0.004932
14.24812 2.04167 12.54124 0.005857 -0.008594 0.015645
13.42037 3.09347 13.71894 0.018956 -0.001503 0.004262
12.47154 1.91493 12.79384 0.001234 0.002840 -0.017055
0.93045 7.53886 4.64403 0.005547 -0.006878 0.009256
1.38538 6.08166 3.73024 -0.000050 -0.013916 0.016238
16.93799 6.82561 3.44303 -0.001400 -0.006173 -0.000804
14.56826 9.90629 4.09394 -0.007179 -0.005410 -0.001229
15.35620 8.36362 4.49623 -0.001555 -0.002910 0.001554
14.60612 9.33602 5.77570 0.013078 0.004589 0.006667
11.33358 14.37561 10.22511 -0.001389 0.008413 0.000293
10.36939 12.91409 10.06873 -0.002870 0.009639 -0.003717
10.41783 13.75676 11.61204 0.010596 0.003297 0.005541
15.69506 13.91743 2.22647 -0.007454 0.009874 0.012796
16.04180 12.31025 2.89443 0.000541 0.005652 0.016746
14.59376 12.55077 1.91361 -0.004013 0.009572 0.003734
13.38669 14.41610 12.68149 0.002268 0.009172 -0.000785
12.99965 16.12783 12.93628 0.014326 0.001517 -0.005029
11.76970 15.02958 12.31925 0.007893 0.007838 -0.018629
3.45659 11.64943 6.29340 0.008290 0.005015 -0.014688
5.22921 11.59756 6.10503 0.005160 0.003521 0.003546
4.48675 11.45663 7.72194 0.019920 0.002418 -0.003586
9.15588 8.06432 9.39888 -0.004712 0.000727 0.017259
8.07530 9.19706 8.56244 -0.011928 -0.003214 -0.000301
7.47369 8.22686 9.92906 0.001440 -0.003056 0.001396
13.34757 16.44604 4.00743 0.023746 -0.000212 0.000866
14.22972 17.02637 2.58149 0.003595 -0.001144 0.004697
12.97606 0.90639 3.35000 0.005175 -0.000330 -0.008017
13.67071 3.95090 6.16601 0.024062 -0.004450 -0.000762
13.67513 4.75781 4.59849 -0.009372 -0.000238 0.000330
12.88889 3.16856 4.76966 0.002789 -0.000102 -0.010734
15.80505 6.68548 6.98306 0.006494 -0.031426 -0.047781
10.99307 6.33148 8.12468 0.003853 -0.004666 -0.012603
0.65303 9.22746 8.95250 0.001960 0.004934 0.005827
16.09576 11.86410 11.06601 -0.000801 -0.025375 0.077027
10.09060 9.17273 13.38433 0.001742 0.001251 0.003573
9.09367 6.43839 16.39233 -0.015803 -0.001562 -0.000773
15.03228 6.92262 0.60079 0.059229 -0.039149 -0.023249
10.63527 7.71285 15.41037 -0.004419 -0.000134 -0.022072
12.01073 7.08728 14.44457 -0.011434 0.000373 0.000569
10.85545 5.94955 15.17647 -0.011623 -0.000997 -0.021560
-----------------------------------------------------------------------------------
total drift: 0.021844 -0.037758 0.070672
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4492414835 eV
energy without entropy= -2279.4729937284 energy(sigma->0) = -2279.45715890
d Force = 0.3710294E-01[ 0.140E-03, 0.741E-01] d Energy = 0.3707963E-01 0.233E-04
d Force =-0.1636828E-01[-0.137E+00, 0.104E+00] d Ewald =-0.1632973E-01-0.386E-04
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 4 -------------------------------------------
--------------------------------------- Iteration 4( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1616
total energy-change (2. order) :-0.4971398E-03 (-0.6272686E-01)
number of electron 1204.0000385 magnetization
augmentation part 54.0285635 magnetization
free energy = -0.227944974520E+04 energy without entropy= -0.227947339138E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1920
total energy-change (2. order) :-0.1691124E-02 (-0.2339999E-02)
number of electron 1204.0000385 magnetization
augmentation part 54.0275085 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8941
0.8941
free energy = -0.227945143633E+04 energy without entropy= -0.227947508969E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1960
total energy-change (2. order) : 0.3522785E-03 (-0.1046334E-03)
number of electron 1204.0000385 magnetization
augmentation part 54.0276102 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2858
1.0485 1.5230
free energy = -0.227945108405E+04 energy without entropy= -0.227947473541E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1888
total energy-change (2. order) : 0.1102345E-03 (-0.9140535E-04)
number of electron 1204.0000385 magnetization
augmentation part 54.0276303 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1913
1.8504 0.8618 0.8618
free energy = -0.227945097382E+04 energy without entropy= -0.227947462127E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 2184
total energy-change (2. order) : 0.2230400E-04 (-0.1569907E-04)
number of electron 1204.0000385 magnetization
augmentation part 54.0276512 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2692
2.3570 0.9850 0.9850 0.7498
free energy = -0.227945095151E+04 energy without entropy= -0.227947459881E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 4( 6) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1840
total energy-change (2. order) : 0.6115864E-05 (-0.9117856E-05)
number of electron 1204.0000385 magnetization
augmentation part 54.0276512 magnetization
free energy = -0.227945094540E+04 energy without entropy= -0.227947459306E+04
--------------------------------------------------------------------------------------------------------
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 -89.4940 2 -89.9759 3 -90.3030 4 -88.6787 5 -89.6454
6 -88.8967 7 -90.0168 8 -89.2638 9 -89.2509 10 -88.8392
11 -89.0674 12 -88.8727 13 -89.4120 14 -88.7243 15 -88.5924
16 -89.8697 17 -89.9075 18 -90.1335 19 -90.9955 20 -89.6047
21 -88.6578 22 -89.4877 23 -89.0049 24 -88.1889 25 -90.1341
26 -89.0557 27 -89.2911 28 -90.0691 29 -89.1002 30 -89.1714
31 -87.6718 32 -89.1422 33 -89.3397 34 -89.1679 35 -90.0063
36 -88.8539 37 -88.5424 38 -89.2806 39 -87.9787 40 -90.6603
41 -91.3753 42 -90.9795 43 -90.1202 44 -88.9881 45 -89.8729
46 -89.1895 47 -90.1127 48 -88.5500 49 -90.4866 50 -89.1443
51 -88.8818 52 -89.3177 53 -88.5554 54 -89.3789 55 -89.4651
56 -89.2736 57 -89.2434 58 -88.9832 59 -89.0405 60 -89.4039
61 -89.4665 62 -89.4789 63 -89.7252 64 -89.7988 65 -88.0757
66 -90.4212 67 -90.2087 68 -89.2941 69 -89.8257 70 -54.0363
71 -54.2563 72 -52.8461 73 -53.4343 74 -52.8710 75 -53.3207
76 -53.0823 77 -53.0838 78 -54.7513 79 -52.7230 80 -52.9712
81 -53.3602 82 -53.2389 83 -52.8975 84 -52.8275 85 -53.1000
86 -53.2017 87 -52.2558 88 -52.4827 89 -53.6631 90 -53.0823
91 -52.7941 92 -53.3777 93 -51.8833 94 -53.3737 95 -54.1977
96 -52.8681 97 -53.4099 98 -53.1042 99 -53.3695 100 -53.2747
101 -54.3863 102 -53.1408 103 -53.0874 104 -53.1397 105 -53.3719
106 -53.3454 107 -52.5630 108 -52.8841 109 -52.7280 110 -52.5266
111 -53.1281 112 -52.4183 113 -51.5979 114 -54.5331 115 -52.8282
116 -53.7394 117 -53.1743 118 -52.6488 119 -53.3560 120 -52.8721
121 -52.7910 122 -53.1659 123 -52.6553 124 -53.1163 125 -52.6300
126 -53.6022 127 -53.3869 128 -54.0565 129 -75.3040 130 -75.0459
131 -75.2918 132 -75.4242 133 -75.0640 134 -75.3761 135 -74.9126
136 -75.2179 137 -75.6966 138 -76.5153 139 -75.1834 140 -74.9533
141 -75.5560 142 -75.5537 143 -74.6211 144 -75.6768 145 -75.9656
146 -75.6549 147 -75.9694 148 -77.2689 149 -76.0803 150 -75.5470
151 -75.5150 152 -75.3274 153 -75.1216 154 -75.2216 155 -75.5467
156 -75.5405 157 -75.2762 158 -75.6475 159 -75.5603 160 -75.4349
161 -74.3870 162 -75.1630 163 -71.5171 164 -74.4252 165 -74.9761
166 -74.9901 167 -75.3223 168 -74.8439 169 -75.4048 170 -75.0063
171 -75.2562 172 -74.8964 173 -75.2543 174 -74.9256 175 -75.1589
176 -75.1130 177 -74.6754 178 -73.5291 179 -76.0694 180 -76.0139
181 -76.1172 182 -77.2713 183 -75.6444 184 -75.5232 185 -75.1867
186 -75.4052 187 -75.0891 188 -75.3691 189 -74.1782 190 -75.8370
191 -76.4989 192 -75.7169 193 -74.8918 194 -75.5101 195 -75.0229
196 -75.3922 197 -75.4700 198 -75.4112 199 -75.4990 200 -75.3728
201 -75.2688 202 -75.1130 203 -75.4810 204 -75.4127 205 -75.4252
206 -75.3699 207 -75.1629 208 -75.6379 209 -75.5862 210 -75.3869
211 -75.4262 212 -75.5181 213 -75.3766 214 -75.3228 215 -75.5280
216 -75.1531 217 -36.7715 218 -35.8276 219 -35.1592 220 -36.9815
221 -35.7617 222 -37.0753 223 -35.1560 224 -35.0579 225 -35.4662
226 -34.9213 227 -33.9883 228 -35.2962 229 -37.6152 230 -35.2390
231 -35.4228 232 -35.4046 233 -36.6623 234 -36.6459 235 -35.6084
236 -36.0154 237 -35.4165 238 -37.6600 239 -37.9851 240 -36.9230
241 -37.1694 242 -36.7159 243 -37.0863 244 -37.0217 245 -37.0290
246 -36.5789 247 -36.7914 248 -37.2240 249 -37.0920 250 -36.5646
251 -36.8859 252 -36.9071 253 -37.0821 254 -36.1881 255 -36.1389
256 -36.8751 257 -37.0019 258 -36.4578 259 -37.1351 260 -36.0715
261 -37.3338 262 -38.0760 263 -36.8549 264 -37.2425 265 -36.9802
266 -37.1090 267 -37.1600 268 -37.0196 269 -36.8387 270 -37.2161
271 -37.2995 272 -36.9454 273 -37.7378 274 -37.9399 275 -36.9773
276 -37.1800 277 -36.8291 278 -37.2281 279 -36.9600 280 -37.0515
281 -36.5013 282 -36.6011 283 -37.2423 284 -37.0861 285 -36.7386
286 -36.8077 287 -36.8217 288 -37.1047 289 -36.1686 290 -36.6178
291 -36.8882 292 -37.0041 293 -36.3613 294 -37.0603 295 -36.0998
296 -37.3994 297 -38.2270 298 -36.8981 299 -37.1118 300 -36.9206
301 -37.1173 302 -37.2730 303 -37.0198 304 -36.9965 305 -37.1741
306 -37.4102 307 -37.1605 308 -36.5699 309 -36.5488 310 -36.6623
311 -36.7734 312 -36.7205 313 -36.7959 314 -36.5922 315 -36.6116
316 -36.6539 317 -36.3180 318 -36.1830 319 -36.4963 320 -37.0496
321 -36.9569 322 -37.1313 323 -36.3459 324 -36.4460 325 -36.4130
326 -35.5479 327 -35.5343 328 -35.5257 329 -37.6912 330 -38.0716
331 -38.0302 332 -36.8428 333 -36.7024 334 -36.8261 335 -37.5703
336 -37.4386 337 -37.1808 338 -37.1294 339 -37.1291 340 -37.2934
341 -36.4929 342 -36.5802 343 -36.4548 344 -37.1607 345 -37.2096
346 -37.2475 347 -36.6551 348 -36.6718 349 -36.6280 350 -36.6887
351 -36.6068 352 -36.5409 353 -37.0042 354 -36.9493 355 -36.9251
356 -36.5339 357 -36.6309 358 -36.4892 359 -36.8480 360 -36.8595
361 -37.0023 362 -36.4364 363 -36.5261 364 -36.5035 365 -37.4022
366 -37.6019 367 -37.5317 368 -37.1314 369 -37.1983 370 -37.3180
371 -39.2216 372 -36.7059 373 -37.0082 374 -39.7962 375 -39.5640
376 -38.9374 377 -39.6982 378 -36.3363 379 -36.4928 380 -36.1967
E-fermi : 0.8092 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.8091603710
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6508 2.00000
2 -21.2106 2.00000
3 -20.6534 2.00000
4 -20.5273 2.00000
5 -20.4978 2.00000
6 -20.4014 2.00000
7 -20.3392 2.00000
8 -20.2672 2.00000
9 -20.2411 2.00000
10 -20.2177 2.00000
11 -20.1872 2.00000
12 -20.1595 2.00000
13 -20.1492 2.00000
14 -20.1013 2.00000
15 -20.0942 2.00000
16 -20.0744 2.00000
17 -20.0177 2.00000
18 -19.9193 2.00000
19 -19.8734 2.00000
20 -19.8325 2.00000
21 -19.8014 2.00000
22 -19.7751 2.00000
23 -19.7380 2.00000
24 -19.7182 2.00000
25 -19.6969 2.00000
26 -19.6767 2.00000
27 -19.6514 2.00000
28 -19.6377 2.00000
29 -19.6195 2.00000
30 -19.6118 2.00000
31 -19.5834 2.00000
32 -19.5622 2.00000
33 -19.5165 2.00000
34 -19.4849 2.00000
35 -19.4672 2.00000
36 -19.4445 2.00000
37 -19.4226 2.00000
38 -19.4009 2.00000
39 -19.3524 2.00000
40 -19.3317 2.00000
41 -19.3063 2.00000
42 -19.3001 2.00000
43 -19.2837 2.00000
44 -19.2756 2.00000
45 -19.2306 2.00000
46 -19.2258 2.00000
47 -19.1915 2.00000
48 -19.1842 2.00000
49 -19.1795 2.00000
50 -19.1431 2.00000
51 -19.1386 2.00000
52 -19.1226 2.00000
53 -19.1097 2.00000
54 -19.0854 2.00000
55 -19.0660 2.00000
56 -19.0469 2.00000
57 -19.0333 2.00000
58 -19.0215 2.00000
59 -19.0105 2.00000
60 -18.9812 2.00000
61 -18.9643 2.00000
62 -18.9499 2.00000
63 -18.9457 2.00000
64 -18.9373 2.00000
65 -18.9032 2.00000
66 -18.8610 2.00000
67 -18.8586 2.00000
68 -18.8525 2.00000
69 -18.8483 2.00000
70 -18.7907 2.00000
71 -18.7874 2.00000
72 -18.7749 2.00000
73 -18.7650 2.00000
74 -18.7290 2.00000
75 -18.6959 2.00000
76 -18.6611 2.00000
77 -18.6442 2.00000
78 -18.6271 2.00000
79 -18.6113 2.00000
80 -18.5789 2.00000
81 -18.4867 2.00000
82 -18.3641 2.00000
83 -18.3316 2.00000
84 -18.3032 2.00000
85 -18.0578 2.00000
86 -17.9734 2.00000
87 -17.1816 2.00000
88 -15.1235 2.00000
89 -13.6190 2.00000
90 -13.5512 2.00000
91 -13.2324 2.00000
92 -13.0504 2.00000
93 -12.9487 2.00000
94 -12.8524 2.00000
95 -12.7736 2.00000
96 -12.7411 2.00000
97 -12.7330 2.00000
98 -12.6750 2.00000
99 -12.6263 2.00000
100 -12.5632 2.00000
101 -12.5247 2.00000
102 -12.4856 2.00000
103 -12.4638 2.00000
104 -12.4209 2.00000
105 -12.3987 2.00000
106 -12.3703 2.00000
107 -12.3409 2.00000
108 -12.3094 2.00000
109 -12.2864 2.00000
110 -12.2693 2.00000
111 -12.2275 2.00000
112 -12.2204 2.00000
113 -12.1933 2.00000
114 -12.1448 2.00000
115 -12.1386 2.00000
116 -12.1064 2.00000
117 -12.1038 2.00000
118 -12.0634 2.00000
119 -12.0462 2.00000
120 -11.9960 2.00000
121 -11.9812 2.00000
122 -11.9462 2.00000
123 -11.9173 2.00000
124 -11.9125 2.00000
125 -11.8876 2.00000
126 -11.8676 2.00000
127 -11.8453 2.00000
128 -11.8314 2.00000
129 -11.8269 2.00000
130 -11.7857 2.00000
131 -11.7604 2.00000
132 -11.7301 2.00000
133 -11.7202 2.00000
134 -11.6816 2.00000
135 -11.6157 2.00000
136 -11.6015 2.00000
137 -11.5924 2.00000
138 -11.5750 2.00000
139 -11.5167 2.00000
140 -11.5121 2.00000
141 -11.4445 2.00000
142 -11.4095 2.00000
143 -11.3917 2.00000
144 -11.3243 2.00000
145 -11.1643 2.00000
146 -11.0524 2.00000
147 -11.0479 2.00000
148 -10.6333 2.00000
149 -10.4850 2.00000
150 -10.3839 2.00000
151 -10.1436 2.00000
152 -10.0960 2.00000
153 -10.0601 2.00000
154 -9.8809 2.00000
155 -9.8301 2.00000
156 -9.8143 2.00000
157 -9.7745 2.00000
158 -9.6474 2.00000
159 -9.5929 2.00000
160 -9.4837 2.00000
161 -9.4702 2.00000
162 -9.3966 2.00000
163 -9.3761 2.00000
164 -9.3348 2.00000
165 -9.3035 2.00000
166 -9.1958 2.00000
167 -9.1799 2.00000
168 -9.1592 2.00000
169 -9.0742 2.00000
170 -8.9836 2.00000
171 -8.9678 2.00000
172 -8.9203 2.00000
173 -8.8821 2.00000
174 -8.8334 2.00000
175 -8.7989 2.00000
176 -8.7286 2.00000
177 -8.6930 2.00000
178 -8.6470 2.00000
179 -8.5832 2.00000
180 -8.4456 2.00000
181 -8.4003 2.00000
182 -8.3274 2.00000
183 -8.2759 2.00000
184 -8.2168 2.00000
185 -8.1842 2.00000
186 -8.1650 2.00000
187 -8.0948 2.00000
188 -8.0795 2.00000
189 -8.0285 2.00000
190 -7.9758 2.00000
191 -7.9583 2.00000
192 -7.9124 2.00000
193 -7.8348 2.00000
194 -7.7763 2.00000
195 -7.7339 2.00000
196 -7.6991 2.00000
197 -7.6622 2.00000
198 -7.6272 2.00000
199 -7.5865 2.00000
200 -7.5738 2.00000
201 -7.5397 2.00000
202 -7.5117 2.00000
203 -7.4766 2.00000
204 -7.4332 2.00000
205 -7.4083 2.00000
206 -7.3346 2.00000
207 -7.3316 2.00000
208 -7.2873 2.00000
209 -7.2602 2.00000
210 -7.2407 2.00000
211 -7.2015 2.00000
212 -7.1808 2.00000
213 -7.1462 2.00000
214 -7.1177 2.00000
215 -7.0849 2.00000
216 -7.0455 2.00000
217 -7.0215 2.00000
218 -6.9823 2.00000
219 -6.9572 2.00000
220 -6.9205 2.00000
221 -6.8818 2.00000
222 -6.8071 2.00000
223 -6.7798 2.00000
224 -6.7434 2.00000
225 -6.7009 2.00000
226 -6.6856 2.00000
227 -6.6795 2.00000
228 -6.6588 2.00000
229 -6.6429 2.00000
230 -6.5960 2.00000
231 -6.5830 2.00000
232 -6.5263 2.00000
233 -6.4958 2.00000
234 -6.4787 2.00000
235 -6.3969 2.00000
236 -6.3651 2.00000
237 -6.3212 2.00000
238 -6.3036 2.00000
239 -6.2191 2.00000
240 -6.1816 2.00000
241 -6.1510 2.00000
242 -6.1194 2.00000
243 -6.0947 2.00000
244 -6.0693 2.00000
245 -6.0432 2.00000
246 -6.0332 2.00000
247 -6.0038 2.00000
248 -5.9967 2.00000
249 -5.9562 2.00000
250 -5.9035 2.00000
251 -5.8804 2.00000
252 -5.8479 2.00000
253 -5.8213 2.00000
254 -5.7806 2.00000
255 -5.7713 2.00000
256 -5.7521 2.00000
257 -5.7393 2.00000
258 -5.7286 2.00000
259 -5.7126 2.00000
260 -5.7046 2.00000
261 -5.6870 2.00000
262 -5.6565 2.00000
263 -5.6377 2.00000
264 -5.6207 2.00000
265 -5.6029 2.00000
266 -5.5781 2.00000
267 -5.5689 2.00000
268 -5.5387 2.00000
269 -5.5229 2.00000
270 -5.5164 2.00000
271 -5.4920 2.00000
272 -5.4768 2.00000
273 -5.4544 2.00000
274 -5.4435 2.00000
275 -5.4329 2.00000
276 -5.4270 2.00000
277 -5.4059 2.00000
278 -5.3982 2.00000
279 -5.3817 2.00000
280 -5.3543 2.00000
281 -5.3458 2.00000
282 -5.3139 2.00000
283 -5.2968 2.00000
284 -5.2845 2.00000
285 -5.2764 2.00000
286 -5.2636 2.00000
287 -5.2531 2.00000
288 -5.2360 2.00000
289 -5.2260 2.00000
290 -5.2109 2.00000
291 -5.2007 2.00000
292 -5.1836 2.00000
293 -5.1802 2.00000
294 -5.1709 2.00000
295 -5.1508 2.00000
296 -5.1436 2.00000
297 -5.1377 2.00000
298 -5.1162 2.00000
299 -5.0932 2.00000
300 -5.0853 2.00000
301 -5.0737 2.00000
302 -5.0696 2.00000
303 -5.0531 2.00000
304 -5.0442 2.00000
305 -5.0267 2.00000
306 -5.0141 2.00000
307 -4.9971 2.00000
308 -4.9913 2.00000
309 -4.9763 2.00000
310 -4.9543 2.00000
311 -4.9454 2.00000
312 -4.9249 2.00000
313 -4.9222 2.00000
314 -4.9133 2.00000
315 -4.8906 2.00000
316 -4.8829 2.00000
317 -4.8740 2.00000
318 -4.8615 2.00000
319 -4.8496 2.00000
320 -4.8360 2.00000
321 -4.8260 2.00000
322 -4.8155 2.00000
323 -4.8079 2.00000
324 -4.8040 2.00000
325 -4.7888 2.00000
326 -4.7712 2.00000
327 -4.7630 2.00000
328 -4.7453 2.00000
329 -4.7390 2.00000
330 -4.7290 2.00000
331 -4.7166 2.00000
332 -4.7125 2.00000
333 -4.7028 2.00000
334 -4.6850 2.00000
335 -4.6799 2.00000
336 -4.6661 2.00000
337 -4.6626 2.00000
338 -4.6357 2.00000
339 -4.6211 2.00000
340 -4.6161 2.00000
341 -4.6045 2.00000
342 -4.5907 2.00000
343 -4.5723 2.00000
344 -4.5543 2.00000
345 -4.5486 2.00000
346 -4.5368 2.00000
347 -4.5177 2.00000
348 -4.5049 2.00000
349 -4.4850 2.00000
350 -4.4760 2.00000
351 -4.4672 2.00000
352 -4.4542 2.00000
353 -4.4438 2.00000
354 -4.4393 2.00000
355 -4.4310 2.00000
356 -4.4137 2.00000
357 -4.3995 2.00000
358 -4.3872 2.00000
359 -4.3779 2.00000
360 -4.3683 2.00000
361 -4.3562 2.00000
362 -4.3411 2.00000
363 -4.3297 2.00000
364 -4.3175 2.00000
365 -4.3052 2.00000
366 -4.2795 2.00000
367 -4.2709 2.00000
368 -4.2568 2.00000
369 -4.2359 2.00000
370 -4.2269 2.00000
371 -4.2196 2.00000
372 -4.2064 2.00000
373 -4.1929 2.00000
374 -4.1737 2.00000
375 -4.1554 2.00000
376 -4.1455 2.00000
377 -4.1366 2.00000
378 -4.1257 2.00000
379 -4.1156 2.00000
380 -4.1079 2.00000
381 -4.1035 2.00000
382 -4.0673 2.00000
383 -4.0590 2.00000
384 -4.0501 2.00000
385 -4.0376 2.00000
386 -4.0245 2.00000
387 -4.0181 2.00000
388 -4.0052 2.00000
389 -3.9816 2.00000
390 -3.9789 2.00000
391 -3.9682 2.00000
392 -3.9515 2.00000
393 -3.9343 2.00000
394 -3.9197 2.00000
395 -3.8996 2.00000
396 -3.8946 2.00000
397 -3.8857 2.00000
398 -3.8674 2.00000
399 -3.8632 2.00000
400 -3.8482 2.00000
401 -3.8395 2.00000
402 -3.8286 2.00000
403 -3.8021 2.00000
404 -3.7953 2.00000
405 -3.7706 2.00000
406 -3.7702 2.00000
407 -3.7554 2.00000
408 -3.7370 2.00000
409 -3.7162 2.00000
410 -3.7048 2.00000
411 -3.7014 2.00000
412 -3.6950 2.00000
413 -3.6850 2.00000
414 -3.6759 2.00000
415 -3.6665 2.00000
416 -3.6465 2.00000
417 -3.6367 2.00000
418 -3.6334 2.00000
419 -3.6212 2.00000
420 -3.6047 2.00000
421 -3.5963 2.00000
422 -3.5873 2.00000
423 -3.5663 2.00000
424 -3.5484 2.00000
425 -3.5309 2.00000
426 -3.5154 2.00000
427 -3.5126 2.00000
428 -3.5043 2.00000
429 -3.4776 2.00000
430 -3.4643 2.00000
431 -3.4575 2.00000
432 -3.4439 2.00000
433 -3.4288 2.00000
434 -3.4235 2.00000
435 -3.4118 2.00000
436 -3.4005 2.00000
437 -3.3976 2.00000
438 -3.3659 2.00000
439 -3.3628 2.00000
440 -3.3531 2.00000
441 -3.3298 2.00000
442 -3.3187 2.00000
443 -3.3122 2.00000
444 -3.2839 2.00000
445 -3.2624 2.00000
446 -3.2617 2.00000
447 -3.2490 2.00000
448 -3.2282 2.00000
449 -3.2217 2.00000
450 -3.2172 2.00000
451 -3.2055 2.00000
452 -3.1863 2.00000
453 -3.1801 2.00000
454 -3.1742 2.00000
455 -3.1476 2.00000
456 -3.1459 2.00000
457 -3.1391 2.00000
458 -3.1214 2.00000
459 -3.1102 2.00000
460 -3.0962 2.00000
461 -3.0781 2.00000
462 -3.0700 2.00000
463 -3.0633 2.00000
464 -3.0610 2.00000
465 -3.0525 2.00000
466 -3.0392 2.00000
467 -3.0258 2.00000
468 -3.0218 2.00000
469 -3.0201 2.00000
470 -2.9959 2.00000
471 -2.9946 2.00000
472 -2.9801 2.00000
473 -2.9643 2.00000
474 -2.9506 2.00000
475 -2.9366 2.00000
476 -2.9141 2.00000
477 -2.9099 2.00000
478 -2.8914 2.00000
479 -2.8850 2.00000
480 -2.8790 2.00000
481 -2.8691 2.00000
482 -2.8559 2.00000
483 -2.8255 2.00000
484 -2.8226 2.00000
485 -2.8175 2.00000
486 -2.8002 2.00000
487 -2.7809 2.00000
488 -2.7624 2.00000
489 -2.7603 2.00000
490 -2.7541 2.00000
491 -2.7466 2.00000
492 -2.7295 2.00000
493 -2.7214 2.00000
494 -2.7065 2.00000
495 -2.7050 2.00000
496 -2.6920 2.00000
497 -2.6869 2.00000
498 -2.6694 2.00000
499 -2.6652 2.00000
500 -2.6496 2.00000
501 -2.6449 2.00000
502 -2.6196 2.00000
503 -2.6023 2.00000
504 -2.6001 2.00000
505 -2.5825 2.00000
506 -2.5706 2.00000
507 -2.5656 2.00000
508 -2.5401 2.00000
509 -2.5332 2.00000
510 -2.5269 2.00000
511 -2.5223 2.00000
512 -2.5036 2.00000
513 -2.4954 2.00000
514 -2.4829 2.00000
515 -2.4702 2.00000
516 -2.4567 2.00000
517 -2.4445 2.00000
518 -2.4224 2.00000
519 -2.4124 2.00000
520 -2.4070 2.00000
521 -2.3953 2.00000
522 -2.3876 2.00000
523 -2.3764 2.00000
524 -2.3675 2.00000
525 -2.3525 2.00000
526 -2.3444 2.00000
527 -2.3361 2.00000
528 -2.3289 2.00000
529 -2.3086 2.00000
530 -2.3007 2.00000
531 -2.2918 2.00000
532 -2.2778 2.00000
533 -2.2669 2.00000
534 -2.2478 2.00000
535 -2.2404 2.00000
536 -2.2234 2.00000
537 -2.2200 2.00000
538 -2.2099 2.00000
539 -2.1978 2.00000
540 -2.1932 2.00000
541 -2.1780 2.00000
542 -2.1665 2.00000
543 -2.1442 2.00000
544 -2.1357 2.00000
545 -2.1144 2.00000
546 -2.1095 2.00000
547 -2.0969 2.00000
548 -2.0847 2.00000
549 -2.0654 2.00000
550 -2.0507 2.00000
551 -2.0452 2.00000
552 -2.0289 2.00000
553 -2.0206 2.00000
554 -2.0042 2.00000
555 -1.9892 2.00000
556 -1.9645 2.00000
557 -1.9518 2.00000
558 -1.9352 2.00000
559 -1.9156 2.00000
560 -1.9067 2.00000
561 -1.8905 2.00000
562 -1.8687 2.00000
563 -1.8483 2.00000
564 -1.8350 2.00000
565 -1.8122 2.00000
566 -1.8031 2.00000
567 -1.7774 2.00000
568 -1.7709 2.00000
569 -1.7457 2.00000
570 -1.7285 2.00000
571 -1.6884 2.00000
572 -1.6833 2.00000
573 -1.6620 2.00000
574 -1.6496 2.00000
575 -1.6184 2.00000
576 -1.6087 2.00000
577 -1.5797 2.00000
578 -1.5612 2.00000
579 -1.5434 2.00000
580 -1.5335 2.00000
581 -1.5169 2.00000
582 -1.4801 2.00000
583 -1.4442 2.00000
584 -1.4227 2.00000
585 -1.4022 2.00000
586 -1.3730 2.00000
587 -1.3385 2.00000
588 -1.3228 2.00000
589 -1.3016 2.00000
590 -1.2591 2.00000
591 -1.2334 2.00000
592 -1.1935 2.00000
593 -1.1648 2.00000
594 -1.0908 2.00000
595 -1.0581 2.00000
596 -0.9701 2.00000
597 -0.8620 2.00000
598 -0.6243 2.00000
599 -0.1744 2.00000
600 0.2487 2.00054
601 0.6297 2.02187
602 0.6501 1.97759
603 1.7694 -0.00000
604 2.1142 -0.00000
605 2.4395 -0.00000
606 3.0957 -0.00000
607 3.1364 -0.00000
608 3.2759 -0.00000
609 3.4494 -0.00000
610 3.7448 -0.00000
611 3.8462 -0.00000
612 3.9136 -0.00000
613 3.9908 -0.00000
614 4.0102 -0.00000
615 4.0908 -0.00000
616 4.1435 -0.00000
617 4.1791 -0.00000
618 4.2755 -0.00000
619 4.2926 -0.00000
620 4.3249 -0.00000
621 4.3713 -0.00000
622 4.4171 -0.00000
623 4.4718 -0.00000
624 4.4757 -0.00000
625 4.5114 -0.00000
626 4.5230 -0.00000
627 4.5844 -0.00000
628 4.6248 -0.00000
629 4.6411 -0.00000
630 4.6550 -0.00000
631 4.6721 -0.00000
632 4.7006 -0.00000
633 4.7304 -0.00000
634 4.7408 -0.00000
635 4.7695 -0.00000
636 4.7964 -0.00000
637 4.8046 -0.00000
638 4.8366 -0.00000
639 4.8603 -0.00000
640 4.8770 -0.00000
641 4.9120 -0.00000
642 4.9273 -0.00000
643 4.9671 -0.00000
644 4.9894 -0.00000
645 5.0248 -0.00000
646 5.0328 -0.00000
647 5.0531 -0.00000
648 5.0627 -0.00000
649 5.1067 -0.00000
650 5.1322 -0.00000
651 5.1402 -0.00000
652 5.1533 -0.00000
653 5.1587 -0.00000
654 5.2036 -0.00000
655 5.2122 -0.00000
656 5.2309 -0.00000
657 5.2411 -0.00000
658 5.2771 -0.00000
659 5.2962 -0.00000
660 5.3156 -0.00000
661 5.3257 -0.00000
662 5.3355 -0.00000
663 5.3635 -0.00000
664 5.3888 -0.00000
665 5.4117 -0.00000
666 5.4255 -0.00000
667 5.4363 -0.00000
668 5.4461 -0.00000
669 5.4486 -0.00000
670 5.4759 -0.00000
671 5.5135 -0.00000
672 5.5192 -0.00000
673 5.5287 -0.00000
674 5.5576 -0.00000
675 5.5641 -0.00000
676 5.5922 -0.00000
677 5.6062 -0.00000
678 5.6338 -0.00000
679 5.6373 -0.00000
680 5.6586 -0.00000
681 5.6712 -0.00000
682 5.6781 -0.00000
683 5.7103 -0.00000
684 5.7130 -0.00000
685 5.7271 -0.00000
686 5.7430 -0.00000
687 5.7587 -0.00000
688 5.7694 -0.00000
689 5.8021 -0.00000
690 5.8066 -0.00000
691 5.8315 -0.00000
692 5.8415 -0.00000
693 5.8541 -0.00000
694 5.8721 -0.00000
695 5.8807 -0.00000
696 5.9025 -0.00000
697 5.9137 -0.00000
698 5.9373 -0.00000
699 5.9517 -0.00000
700 5.9547 -0.00000
701 5.9610 -0.00000
702 6.0021 -0.00000
703 6.0152 -0.00000
704 6.0303 -0.00000
705 6.0491 -0.00000
706 6.0557 -0.00000
707 6.0630 -0.00000
708 6.0877 -0.00000
709 6.0947 -0.00000
710 6.1009 -0.00000
711 6.1253 -0.00000
712 6.1371 0.00000
713 6.1518 0.00000
714 6.1705 0.00000
715 6.1777 0.00000
716 6.1973 0.00000
717 6.1998 0.00000
718 6.2159 0.00000
719 6.2300 0.00000
720 6.2624 0.00000
721 6.2640 0.00000
722 6.2812 0.00000
723 6.3017 0.00000
724 6.3033 0.00000
725 6.3210 0.00000
726 6.3461 0.00000
727 6.3585 0.00000
728 6.3676 0.00000
729 6.3783 0.00000
730 6.3869 0.00000
731 6.4135 0.00000
732 6.4262 0.00000
733 6.4428 0.00000
734 6.4527 0.00000
735 6.4633 0.00000
736 6.4810 0.00000
737 6.4928 0.00000
738 6.5006 0.00000
739 6.5166 0.00000
740 6.5389 0.00000
741 6.5462 0.00000
742 6.5593 0.00000
743 6.5789 0.00000
744 6.5928 0.00000
745 6.6158 0.00000
746 6.6207 0.00000
747 6.6271 0.00000
748 6.6356 0.00000
749 6.6533 0.00000
750 6.6768 0.00000
751 6.6785 0.00000
752 6.6975 0.00000
753 6.7083 0.00000
754 6.7293 0.00000
755 6.7410 0.00000
756 6.7504 0.00000
757 6.7707 0.00000
758 6.7823 0.00000
759 6.7999 0.00000
760 6.8106 0.00000
761 6.8153 0.00000
762 6.8401 0.00000
763 6.8507 0.00000
764 6.8626 0.00000
765 6.8718 0.00000
766 6.8777 0.00000
767 6.8996 0.00000
768 6.9077 0.00000
769 6.9377 0.00000
770 6.9486 0.00000
771 6.9632 0.00000
772 6.9721 0.00000
773 6.9774 0.00000
774 6.9952 0.00000
775 7.0160 0.00000
776 7.0225 0.00000
777 7.0398 0.00000
778 7.0497 0.00000
779 7.0660 0.00000
780 7.0881 0.00000
781 7.0901 0.00000
782 7.1109 0.00000
783 7.1160 0.00000
784 7.1422 0.00000
785 7.1445 0.00000
786 7.1520 0.00000
787 7.1608 0.00000
788 7.1905 0.00000
789 7.1966 0.00000
790 7.2002 0.00000
791 7.2096 0.00000
792 7.2368 0.00000
793 7.2465 0.00000
794 7.2471 0.00000
795 7.2713 0.00000
796 7.2888 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.477 -3.322 0.122 -0.984 -1.048 -0.049 0.386 0.451
-3.322 1.621 -0.110 0.559 0.848 0.039 -0.208 -0.329
0.122 -0.110 3.290 0.097 -0.267 -0.839 -0.020 0.060
-0.984 0.559 0.097 3.619 0.601 -0.019 -0.934 -0.295
-1.048 0.848 -0.267 0.601 4.397 0.059 -0.291 -1.325
-0.049 0.039 -0.839 -0.019 0.059 0.223 0.003 -0.012
0.386 -0.208 -0.020 -0.934 -0.291 0.003 0.257 0.123
0.451 -0.329 0.060 -0.295 -1.325 -0.012 0.123 0.418
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5226.10780 -8296.35095 -4994.26190 649.53190 -1719.42773 946.85137
Hartree 12984.64336 10485.15754 12477.38974 416.50394 -1721.72068 479.85587
E(xc) -4966.58831 -4968.23394 -4965.31341 1.45635 0.59907 1.26454
Local -22711.98416-17186.59074-22357.36625 -1032.25423 3493.55992 -1355.56019
n-local -578.33957 -581.41911 -542.71128 -12.38458 -3.81868 5.28410
augment 254.68551 256.65517 245.93031 0.64805 -2.23936 -4.67312
Kinetic 19036.23781 19118.84025 18897.68146 -19.99885 -37.06264 -92.47873
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.8162742 -162.3048906 -229.0144564 3.5025853 9.8898908 -19.4561558
in kB -62.8322977 -51.5528322 -72.7417628 1.1125247 3.1413217 -6.1798504
external PRESSURE = -62.3756309 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.128E+03 -.238E+02 -.336E+02 0.133E+03 0.229E+02 0.285E+02 -.451E+01 0.917E+00 0.505E+01 -.177E-02 0.145E-02 -.902E-03
0.743E+02 0.485E+01 0.114E+02 -.754E+02 -.648E+00 -.105E+02 0.110E+01 -.422E+01 -.925E+00 0.273E-02 0.962E-04 0.331E-02
-.459E+02 0.480E+02 -.163E+02 0.488E+02 -.493E+02 0.214E+02 -.292E+01 0.129E+01 -.506E+01 0.140E-03 0.188E-03 0.484E-03
0.637E+02 -.203E+02 0.543E+02 -.603E+02 0.245E+02 -.493E+02 -.340E+01 -.420E+01 -.493E+01 0.920E-03 0.103E-02 -.274E-03
-.411E+02 -.172E+02 0.249E+02 0.416E+02 0.170E+02 -.266E+02 -.457E+00 0.163E+00 0.172E+01 -.191E-02 -.350E-03 -.564E-03
0.726E+02 -.298E+01 -.105E+03 -.755E+02 0.465E+01 0.110E+03 0.292E+01 -.168E+01 -.538E+01 0.311E-02 -.208E-03 -.260E-03
0.388E+02 -.613E+02 -.820E+02 -.365E+02 0.605E+02 0.794E+02 -.228E+01 0.809E+00 0.261E+01 -.249E-03 -.476E-03 0.115E-02
0.180E+01 -.753E+02 -.131E+01 0.273E+01 0.750E+02 -.909E+00 -.455E+01 0.284E+00 0.223E+01 0.162E-02 -.562E-03 0.482E-03
-.956E+02 -.177E+02 0.208E+02 0.102E+03 0.230E+02 -.221E+02 -.603E+01 -.524E+01 0.126E+01 0.560E-03 -.637E-04 0.550E-03
0.153E+02 -.344E+02 -.455E+02 -.168E+02 0.309E+02 0.478E+02 0.151E+01 0.353E+01 -.227E+01 0.453E-04 0.762E-03 -.920E-03
-.459E+02 0.124E+02 0.606E+02 0.474E+02 -.135E+02 -.626E+02 -.148E+01 0.110E+01 0.193E+01 -.133E-03 -.159E-02 -.611E-03
0.859E+02 -.846E+02 -.152E+02 -.884E+02 0.903E+02 0.156E+02 0.242E+01 -.577E+01 -.410E+00 -.188E-03 -.219E-03 -.130E-02
-.554E+02 -.963E+02 -.126E+02 0.561E+02 0.989E+02 0.117E+02 -.740E+00 -.265E+01 0.915E+00 0.111E-03 -.966E-03 -.759E-03
0.279E+02 0.106E+01 -.555E+02 -.324E+02 -.140E+01 0.605E+02 0.452E+01 0.355E+00 -.501E+01 -.803E-03 -.564E-03 0.972E-03
0.567E+02 -.314E+02 0.658E+02 -.580E+02 0.338E+02 -.622E+02 0.122E+01 -.239E+01 -.368E+01 0.269E-03 -.353E-03 0.772E-03
-.657E+02 0.352E+02 0.187E+02 0.709E+02 -.410E+02 -.179E+02 -.517E+01 0.580E+01 -.846E+00 -.120E-02 -.169E-02 -.741E-03
-.612E+01 0.110E+03 0.150E+02 0.439E+01 -.120E+03 -.168E+02 0.177E+01 0.970E+01 0.184E+01 0.207E-02 -.675E-03 0.243E-02
-.445E+01 -.468E+02 -.332E+01 -.558E+01 0.474E+02 0.419E+01 0.101E+02 -.570E+00 -.875E+00 -.317E-02 0.408E-03 -.362E-03
0.311E+02 0.192E+02 0.108E+03 -.299E+02 -.191E+02 -.103E+03 -.125E+01 -.984E-01 -.416E+01 0.365E-02 -.346E-03 0.206E-03
-.186E+02 0.783E+02 0.288E+02 0.169E+02 -.709E+02 -.327E+02 0.174E+01 -.738E+01 0.390E+01 -.235E-02 0.797E-03 0.277E-03
0.104E+03 -.412E+02 0.376E+02 -.102E+03 0.397E+02 -.383E+02 -.133E+01 0.150E+01 0.649E+00 0.177E-02 -.131E-04 -.101E-02
-.495E+02 0.401E+02 -.792E+02 0.542E+02 -.428E+02 0.793E+02 -.470E+01 0.271E+01 -.104E+00 -.414E-03 0.385E-03 0.117E-03
0.700E+02 0.942E+02 -.872E+02 -.736E+02 -.957E+02 0.871E+02 0.352E+01 0.149E+01 0.185E+00 0.401E-02 0.381E-03 -.986E-03
0.545E+02 0.803E+01 -.186E+03 -.538E+02 -.694E+01 0.189E+03 -.761E+00 -.111E+01 -.289E+01 0.292E-02 -.650E-03 -.172E-02
-.838E+02 -.914E+01 -.901E+01 0.861E+02 0.110E+02 0.117E+02 -.223E+01 -.185E+01 -.271E+01 0.222E-02 -.393E-02 0.892E-03
0.233E+02 0.250E+02 0.719E+02 -.243E+02 -.177E+02 -.665E+02 0.972E+00 -.727E+01 -.544E+01 0.115E-02 -.408E-04 -.830E-03
-.933E+02 0.582E+01 0.706E+02 0.984E+02 -.353E+01 -.754E+02 -.519E+01 -.225E+01 0.488E+01 0.190E-02 -.479E-02 0.198E-02
-.889E+01 0.156E+02 0.885E+01 0.898E+01 -.136E+02 -.634E+01 -.159E+00 -.197E+01 -.253E+01 0.599E-02 -.224E-02 0.240E-02
0.248E+02 -.478E+02 -.899E+02 -.318E+02 0.516E+02 0.888E+02 0.710E+01 -.382E+01 0.111E+01 0.619E-03 -.328E-02 -.207E-02
0.158E+02 -.737E+02 -.660E+02 -.177E+02 0.748E+02 0.685E+02 0.196E+01 -.119E+01 -.247E+01 0.243E-02 -.384E-02 0.575E-03
-.497E+02 -.614E+02 0.344E+02 0.482E+02 0.733E+02 -.249E+02 0.149E+01 -.118E+02 -.944E+01 0.159E-02 -.521E-02 -.177E-02
0.845E+02 0.452E+02 0.722E+02 -.798E+02 -.454E+02 -.746E+02 -.474E+01 0.244E+00 0.242E+01 -.127E-02 0.259E-03 -.544E-03
-.527E+02 0.200E+01 0.284E+02 0.566E+02 -.509E+01 -.261E+02 -.388E+01 0.310E+01 -.231E+01 0.827E-03 -.280E-03 -.378E-03
0.158E+02 -.438E+02 -.213E+02 -.179E+02 0.493E+02 0.167E+02 0.216E+01 -.551E+01 0.454E+01 0.251E-04 0.860E-03 -.101E-02
-.284E+02 -.101E+03 -.665E+02 0.265E+02 0.987E+02 0.651E+02 0.186E+01 0.189E+01 0.145E+01 0.264E-03 0.253E-02 0.354E-03
0.400E+02 -.102E+03 -.455E+02 -.403E+02 0.109E+03 0.502E+02 0.226E+00 -.657E+01 -.468E+01 0.125E-02 -.173E-02 0.643E-03
0.108E+03 0.832E+02 0.811E+02 -.105E+03 -.887E+02 -.834E+02 -.313E+01 0.553E+01 0.228E+01 0.178E-03 0.227E-02 -.459E-04
0.244E+02 0.110E+03 0.211E+02 -.242E+02 -.110E+03 -.202E+02 -.185E+00 0.436E+00 -.909E+00 -.552E-03 0.317E-02 0.378E-03
-.505E+01 -.847E+02 -.719E+02 0.766E+01 0.850E+02 0.696E+02 -.262E+01 -.238E+00 0.233E+01 0.198E-02 -.148E-05 -.109E-04
0.938E+01 0.106E+03 0.560E+02 -.106E+02 -.109E+03 -.593E+02 0.120E+01 0.260E+01 0.329E+01 -.267E-04 0.493E-02 -.141E-02
0.211E+02 0.840E+01 0.132E+03 -.198E+02 -.859E+01 -.136E+03 -.158E+01 0.203E+00 0.375E+01 0.738E-02 -.245E-03 0.163E-02
-.152E+02 0.226E+02 0.423E+02 0.157E+02 -.218E+02 -.408E+02 -.588E+00 -.848E+00 -.150E+01 0.457E-02 0.164E-02 0.215E-02
0.204E+02 0.132E+03 0.337E+02 -.223E+02 -.133E+03 -.266E+02 0.183E+01 0.682E+00 -.707E+01 0.394E-02 0.340E-02 0.783E-03
0.866E+02 -.227E+02 -.103E+03 -.916E+02 0.186E+02 0.106E+03 0.499E+01 0.417E+01 -.270E+01 -.907E-03 0.403E-02 -.740E-03
0.855E+01 0.117E+02 -.154E+02 -.963E+01 -.128E+02 0.158E+02 0.109E+01 0.110E+01 -.372E+00 0.531E-02 0.214E-02 0.666E-03
-.197E+02 -.328E+02 0.110E+02 0.268E+02 0.353E+02 -.128E+02 -.717E+01 -.244E+01 0.182E+01 0.370E-03 0.179E-02 -.147E-02
-.540E+01 -.274E+02 -.847E+01 0.782E+01 0.235E+02 0.346E+01 -.242E+01 0.390E+01 0.500E+01 -.206E-02 -.187E-02 -.836E-03
0.512E+02 -.197E+02 0.608E+02 -.562E+02 0.167E+02 -.593E+02 0.504E+01 0.304E+01 -.154E+01 -.452E-02 -.286E-03 -.274E-03
-.530E+02 -.628E+02 -.171E+02 0.484E+02 0.651E+02 0.218E+02 0.459E+01 -.233E+01 -.474E+01 -.112E-02 -.181E-02 -.207E-03
0.270E+02 0.347E+02 0.453E+02 -.300E+02 -.353E+02 -.419E+02 0.305E+01 0.590E+00 -.334E+01 -.258E-02 -.165E-02 0.150E-03
0.831E+01 0.152E+02 0.606E+02 -.511E+01 -.151E+02 -.598E+02 -.320E+01 -.113E+00 -.815E+00 -.300E-02 -.130E-02 -.798E-03
-.191E+02 -.322E+02 -.220E+02 0.166E+02 0.276E+02 0.274E+02 0.245E+01 0.461E+01 -.541E+01 -.329E-02 0.299E-03 -.552E-03
-.736E+01 -.887E+02 -.318E+02 0.240E+01 0.859E+02 0.372E+02 0.497E+01 0.275E+01 -.547E+01 -.184E-02 -.312E-02 -.943E-03
-.299E+02 -.534E+02 -.800E+02 0.278E+02 0.471E+02 0.859E+02 0.205E+01 0.632E+01 -.595E+01 -.174E-02 -.147E-02 0.403E-03
-.932E+01 -.922E+01 -.131E+02 0.946E+01 0.483E+01 0.135E+02 -.184E+00 0.437E+01 -.444E+00 0.328E-03 0.891E-03 0.724E-03
-.644E+01 -.414E+02 0.775E+02 0.590E+01 0.458E+02 -.790E+02 0.559E+00 -.441E+01 0.156E+01 -.169E-02 -.802E-03 -.238E-02
-.493E+02 -.389E+02 -.616E+02 0.558E+02 0.431E+02 0.616E+02 -.640E+01 -.426E+01 -.134E-01 -.306E-03 0.179E-02 0.932E-04
-.192E+02 0.761E+02 -.585E+02 0.173E+02 -.826E+02 0.605E+02 0.192E+01 0.645E+01 -.194E+01 -.253E-03 0.927E-03 -.195E-02
-.845E+02 0.323E+02 0.961E+02 0.870E+02 -.308E+02 -.976E+02 -.245E+01 -.153E+01 0.148E+01 0.667E-03 -.902E-03 0.137E-02
-.190E+02 0.699E+02 0.489E+02 0.133E+02 -.672E+02 -.501E+02 0.569E+01 -.271E+01 0.116E+01 -.235E-02 0.355E-02 -.853E-03
-.518E+02 0.131E+03 0.210E+02 0.541E+02 -.135E+03 -.228E+02 -.225E+01 0.358E+01 0.179E+01 -.623E-03 0.495E-03 0.294E-03
-.675E+01 0.364E+02 -.100E+03 0.133E+01 -.370E+02 0.104E+03 0.540E+01 0.590E+00 -.337E+01 -.183E-02 0.276E-02 0.869E-03
-.127E+02 0.405E+02 0.113E+02 0.128E+02 -.360E+02 -.187E+02 -.913E-01 -.457E+01 0.734E+01 -.182E-02 0.166E-02 -.169E-02
0.121E+02 0.278E+02 -.160E+02 -.229E+01 -.281E+02 0.168E+02 -.973E+01 0.300E+00 -.832E+00 -.212E-02 0.264E-03 0.198E-02
0.513E+02 0.217E+02 0.162E+02 -.519E+02 -.223E+02 -.166E+02 0.582E+00 0.525E+00 0.469E+00 -.253E-02 0.147E-02 -.885E-03
0.162E+01 0.540E+02 0.869E+02 0.100E+01 -.563E+02 -.819E+02 -.265E+01 0.230E+01 -.502E+01 -.313E-02 0.378E-02 -.888E-03
-.752E+02 -.804E+00 -.788E+01 0.751E+02 0.101E+01 0.160E+01 0.139E+00 -.203E+00 0.628E+01 -.175E-02 0.154E-02 0.127E-02
0.131E+02 -.512E+02 0.180E+02 -.194E+02 0.529E+02 -.114E+02 0.633E+01 -.177E+01 -.665E+01 -.392E-02 0.309E-02 0.193E-03
-.454E+02 0.238E+02 -.445E+02 0.460E+02 -.278E+02 0.461E+02 -.634E+00 0.398E+01 -.156E+01 -.319E-02 0.160E-02 0.200E-03
-.517E+02 -.358E+02 0.685E+01 0.493E+02 0.325E+02 -.994E+01 0.240E+01 0.332E+01 0.308E+01 -.213E-02 0.130E-02 -.704E-03
-.731E+02 -.264E+02 -.836E+01 0.707E+02 0.234E+02 0.954E+01 0.238E+01 0.299E+01 -.118E+01 -.921E-03 0.213E-02 0.748E-03
0.576E+02 -.115E+02 0.526E+02 -.535E+02 0.122E+02 -.516E+02 -.405E+01 -.601E+00 -.913E+00 -.628E-03 0.774E-03 -.265E-02
0.163E+02 -.139E+01 0.238E+02 -.177E+02 -.348E+01 -.240E+02 0.140E+01 0.491E+01 0.222E+00 -.154E-03 -.135E-02 0.105E-02
0.213E+02 -.856E+02 -.259E+02 -.194E+02 0.821E+02 0.290E+02 -.182E+01 0.356E+01 -.312E+01 0.166E-02 -.244E-02 0.679E-03
-.298E+02 -.645E-01 0.153E+02 0.337E+02 0.679E+00 -.162E+02 -.388E+01 -.602E+00 0.985E+00 -.133E-03 -.154E-02 -.121E-02
0.798E+01 0.819E+01 0.279E+02 -.791E+01 -.467E+01 -.247E+02 -.659E-01 -.351E+01 -.319E+01 -.848E-03 -.877E-03 -.130E-02
-.193E+02 -.103E+03 -.429E+02 0.213E+02 0.985E+02 0.413E+02 -.206E+01 0.413E+01 0.162E+01 0.974E-03 -.665E-03 -.129E-02
0.296E+02 -.155E+03 -.125E+03 -.302E+02 0.160E+03 0.129E+03 0.634E+00 -.496E+01 -.483E+01 0.129E-04 -.110E-02 -.551E-04
0.905E+02 0.218E+02 0.769E+02 -.872E+02 -.228E+02 -.746E+02 -.330E+01 0.102E+01 -.229E+01 0.533E-03 -.207E-03 -.583E-03
0.573E+02 0.126E+02 0.566E+02 -.576E+02 -.753E+01 -.536E+02 0.356E+00 -.509E+01 -.302E+01 -.645E-03 0.161E-02 0.654E-03
-.911E+02 -.336E+01 0.506E+02 0.878E+02 0.108E+01 -.496E+02 0.334E+01 0.227E+01 -.907E+00 0.439E-03 -.195E-03 0.221E-02
-.368E+02 0.276E+02 0.949E+01 0.349E+02 -.306E+02 -.135E+02 0.198E+01 0.300E+01 0.399E+01 -.183E-03 -.241E-02 0.231E-03
0.466E+02 0.207E+02 -.568E+02 -.484E+02 -.239E+02 0.532E+02 0.177E+01 0.325E+01 0.363E+01 0.302E-02 0.427E-03 -.130E-02
0.106E+01 0.864E+02 -.572E+02 -.351E+00 -.820E+02 0.587E+02 -.710E+00 -.437E+01 -.146E+01 0.187E-02 0.146E-03 0.200E-03
0.138E+02 -.263E+02 0.262E+02 -.154E+02 0.296E+02 -.315E+02 0.156E+01 -.330E+01 0.536E+01 -.443E-03 -.938E-03 -.844E-03
-.762E+02 -.113E+01 0.321E+02 0.716E+02 0.105E+01 -.300E+02 0.459E+01 0.718E-01 -.210E+01 0.369E-03 -.222E-02 0.171E-02
-.325E+02 -.111E+03 0.188E+02 0.308E+02 0.107E+03 -.178E+02 0.174E+01 0.440E+01 -.102E+01 -.115E-02 -.438E-02 -.418E-03
0.507E+02 -.328E+02 -.115E+03 -.510E+02 0.314E+02 0.113E+03 0.334E+00 0.136E+01 0.178E+01 0.252E-02 -.308E-02 -.130E-02
0.134E+02 -.894E+00 0.182E+02 -.151E+02 0.295E+01 -.214E+02 0.173E+01 -.205E+01 0.321E+01 0.247E-03 0.328E-02 -.696E-03
0.352E+02 -.853E+02 -.347E+02 -.329E+02 0.817E+02 0.301E+02 -.231E+01 0.361E+01 0.456E+01 0.535E-03 0.457E-03 0.191E-03
0.458E+02 0.261E+02 0.167E+01 -.499E+02 -.241E+02 -.113E+00 0.402E+01 -.193E+01 -.154E+01 -.833E-03 -.785E-03 0.385E-03
0.558E+02 0.110E+03 0.491E+01 -.509E+02 -.109E+03 -.340E+01 -.496E+01 -.543E+00 -.152E+01 0.143E-02 0.215E-02 -.820E-03
0.744E+02 -.614E+02 -.109E+03 -.781E+02 0.659E+02 0.117E+03 0.370E+01 -.454E+01 -.732E+01 0.108E-02 0.280E-02 -.197E-03
-.485E+01 0.201E+02 0.605E+02 0.449E+01 -.165E+02 -.575E+02 0.350E+00 -.361E+01 -.300E+01 -.486E-02 -.679E-03 0.664E-04
-.350E+02 -.265E+01 0.909E+01 0.329E+02 0.463E+01 -.517E+01 0.205E+01 -.198E+01 -.391E+01 -.142E-02 -.109E-02 0.192E-02
0.641E+01 -.573E+02 0.206E+02 -.765E+01 0.538E+02 -.231E+02 0.125E+01 0.356E+01 0.251E+01 -.502E-02 -.226E-02 -.143E-03
-.279E+02 -.960E+01 -.683E+01 0.262E+02 0.617E+01 0.112E+02 0.168E+01 0.343E+01 -.440E+01 -.113E-02 -.234E-02 0.380E-03
0.102E+02 -.376E+02 0.274E+02 -.521E+01 0.386E+02 -.284E+02 -.500E+01 -.102E+01 0.925E+00 -.341E-02 0.149E-02 -.146E-02
-.449E+02 -.141E+02 0.353E+02 0.472E+02 0.180E+02 -.392E+02 -.226E+01 -.391E+01 0.392E+01 0.579E-03 -.623E-03 0.538E-03
-.181E+02 -.324E+02 -.838E+01 0.202E+02 0.341E+02 0.114E+02 -.212E+01 -.169E+01 -.300E+01 -.376E-02 -.453E-03 -.574E-03
-.120E+03 0.151E+02 -.132E+03 0.123E+03 -.185E+02 0.137E+03 -.272E+01 0.344E+01 -.495E+01 -.665E-04 -.252E-02 0.171E-02
-.411E+02 0.831E+02 0.693E+02 0.435E+02 -.817E+02 -.661E+02 -.234E+01 -.143E+01 -.311E+01 -.992E-03 -.686E-03 0.132E-02
-.133E+00 0.242E+02 -.601E+02 0.421E+01 -.241E+02 0.619E+02 -.407E+01 -.618E-01 -.181E+01 -.766E-03 0.169E-02 0.503E-03
0.882E+00 -.322E+02 0.738E+02 -.156E+01 0.298E+02 -.733E+02 0.660E+00 0.237E+01 -.591E+00 -.281E-02 0.157E-02 0.671E-03
0.194E+02 0.158E+02 -.440E+02 -.227E+02 -.146E+02 0.398E+02 0.329E+01 -.116E+01 0.420E+01 -.171E-02 0.168E-02 0.144E-02
-.783E+02 0.289E+02 0.521E+00 0.741E+02 -.277E+02 -.544E+00 0.426E+01 -.122E+01 0.277E-01 -.196E-02 0.271E-02 0.824E-03
0.106E+01 -.190E+02 0.174E+02 -.285E+01 0.191E+02 -.189E+02 0.177E+01 -.145E+00 0.154E+01 0.441E-02 -.162E-02 0.184E-02
0.684E+02 -.104E+02 -.120E+03 -.665E+02 0.975E+01 0.117E+03 -.196E+01 0.628E+00 0.208E+01 0.731E-03 0.567E-03 -.151E-02
0.787E+02 0.207E+02 -.507E+02 -.760E+02 -.193E+02 0.488E+02 -.264E+01 -.143E+01 0.189E+01 -.672E-05 0.896E-03 -.128E-02
0.905E+02 0.152E+02 -.190E+02 -.878E+02 -.140E+02 0.169E+02 -.277E+01 -.122E+01 0.214E+01 0.112E-02 -.826E-03 0.389E-03
0.188E+02 -.755E+01 0.890E+02 -.191E+02 0.663E+01 -.866E+02 0.251E+00 0.921E+00 -.239E+01 -.323E-02 0.128E-02 0.807E-03
0.193E+02 -.334E+02 0.330E+00 -.195E+02 0.317E+02 -.955E+00 0.207E+00 0.171E+01 0.630E+00 -.127E-02 0.114E-02 -.557E-03
-.300E+01 0.372E+02 0.171E+02 0.110E+01 -.337E+02 -.156E+02 0.190E+01 -.351E+01 -.150E+01 0.655E-03 0.122E-02 0.125E-02
0.436E+02 -.165E+02 0.664E+02 -.433E+02 0.154E+02 -.692E+02 -.346E+00 0.107E+01 0.282E+01 0.394E-02 0.434E-03 -.155E-03
0.230E+02 0.703E+01 0.460E+02 -.216E+02 -.453E+01 -.471E+02 -.136E+01 -.251E+01 0.113E+01 -.473E-02 0.188E-02 -.569E-03
0.216E+02 -.293E+02 -.170E+02 -.217E+02 0.304E+02 0.162E+02 0.125E+00 -.111E+01 0.765E+00 0.103E-02 -.794E-03 -.595E-04
-.543E+02 -.566E+01 -.625E+02 0.534E+02 0.615E+01 0.595E+02 0.917E+00 -.482E+00 0.302E+01 -.264E-02 -.400E-03 -.124E-03
-.493E+02 -.316E+02 -.476E+02 0.487E+02 0.333E+02 0.452E+02 0.675E+00 -.176E+01 0.245E+01 -.221E-02 -.230E-02 -.160E-03
-.207E+02 -.276E+02 0.808E+02 0.198E+02 0.261E+02 -.786E+02 0.957E+00 0.153E+01 -.222E+01 -.238E-02 0.431E-03 -.180E-02
0.609E+02 0.387E+02 -.205E+02 -.591E+02 -.377E+02 0.208E+02 -.180E+01 -.105E+01 -.295E+00 0.341E-04 0.137E-02 -.372E-02
0.493E+02 -.356E+01 0.545E+02 -.475E+02 0.332E+01 -.531E+02 -.187E+01 0.250E+00 -.147E+01 -.132E-02 0.283E-02 -.221E-02
-.109E+02 0.154E+02 -.214E+01 0.945E+01 -.152E+02 0.375E+01 0.145E+01 -.266E+00 -.164E+01 -.398E-02 -.277E-03 0.743E-03
0.210E+01 -.295E+02 -.310E+02 -.270E+01 0.293E+02 0.284E+02 0.603E+00 0.153E+00 0.260E+01 -.223E-02 0.308E-02 -.761E-03
0.137E+02 0.114E+03 0.544E+01 -.138E+02 -.113E+03 -.607E+01 0.760E-01 -.195E+01 0.629E+00 -.104E-02 -.122E-03 0.631E-03
-.114E+02 -.857E+02 -.603E+02 0.108E+02 0.835E+02 0.585E+02 0.625E+00 0.222E+01 0.182E+01 0.185E-02 -.659E-03 -.873E-03
-.499E+02 -.147E+02 -.430E+02 0.474E+02 0.131E+02 0.413E+02 0.244E+01 0.159E+01 0.165E+01 -.280E-02 -.182E-03 0.301E-02
0.380E+02 -.360E+02 0.483E+01 -.357E+02 0.352E+02 -.485E+01 -.226E+01 0.825E+00 0.216E-01 -.140E-02 -.365E-02 0.545E-04
0.600E+02 0.239E+02 0.114E+03 -.648E+02 -.245E+02 -.120E+03 0.485E+01 0.547E+00 0.569E+01 -.658E-04 -.138E-02 -.483E-03
0.110E+03 0.310E+01 0.214E+03 -.119E+03 -.793E+01 -.230E+03 0.848E+01 0.482E+01 0.156E+02 -.171E-03 0.434E-02 0.467E-04
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.140E+02 0.131E+02 0.183E+02 -.252E-02 0.279E-02 0.162E-02
0.310E+02 -.576E+02 0.905E+02 -.289E+02 0.625E+02 -.997E+02 -.215E+01 -.486E+01 0.920E+01 -.111E-02 0.212E-02 -.186E-02
-.493E+02 -.297E+02 -.881E+02 0.561E+02 0.333E+02 0.946E+02 -.676E+01 -.362E+01 -.650E+01 -.141E-02 -.286E-02 0.345E-02
0.322E+02 -.881E+00 -.208E+02 -.295E+02 -.567E+01 0.626E+01 -.268E+01 0.656E+01 0.145E+02 0.229E-02 -.198E-02 0.124E-03
0.575E+02 -.152E+02 -.937E+02 -.628E+02 0.976E+01 0.999E+02 0.524E+01 0.543E+01 -.621E+01 -.148E-02 0.129E-02 0.624E-03
0.506E+01 -.626E+02 -.630E+02 0.248E+01 0.606E+02 0.665E+02 -.754E+01 0.200E+01 -.355E+01 0.832E-03 0.246E-02 0.443E-02
0.568E+02 -.134E+03 -.127E+03 -.577E+02 0.139E+03 0.138E+03 0.931E+00 -.592E+01 -.107E+02 -.529E-03 0.128E-02 0.215E-02
-.719E+02 -.151E+03 -.738E+00 0.608E+02 0.171E+03 -.694E+00 0.111E+02 -.198E+02 0.143E+01 -.439E-02 0.213E-02 -.237E-02
-.833E+02 0.491E+02 0.344E+02 0.753E+02 -.432E+02 -.424E+02 0.793E+01 -.587E+01 0.804E+01 0.239E-02 0.147E-03 0.743E-03
0.528E+02 -.728E+02 -.203E+02 -.512E+02 0.712E+02 0.193E+02 -.159E+01 0.157E+01 0.105E+01 -.218E-04 0.858E-04 -.135E-02
0.977E+02 -.101E+03 -.553E+02 -.949E+02 0.102E+03 0.576E+02 -.285E+01 -.137E+01 -.238E+01 -.258E-06 -.250E-03 -.309E-02
-.365E+02 0.618E+02 0.394E+02 0.469E+02 -.843E+02 -.381E+02 -.104E+02 0.224E+02 -.137E+01 0.229E-02 -.332E-02 0.187E-02
-.561E+02 -.156E+03 -.603E+02 0.689E+02 0.161E+03 0.636E+02 -.128E+02 -.451E+01 -.330E+01 -.688E-03 -.112E-02 0.251E-02
0.128E+03 -.257E+02 0.139E+03 -.134E+03 0.246E+02 -.157E+03 0.614E+01 0.117E+01 0.185E+02 -.701E-03 0.517E-04 0.343E-03
0.132E+03 -.124E+03 -.282E+02 -.153E+03 0.113E+03 0.873E+01 0.212E+02 0.103E+02 0.195E+02 -.987E-03 0.338E-03 -.212E-02
-.772E+01 0.164E+03 0.122E+03 0.787E+01 -.176E+03 -.127E+03 -.161E+00 0.117E+02 0.522E+01 0.197E-02 0.291E-02 -.815E-05
-.105E+03 -.499E+02 0.165E+02 0.108E+03 0.510E+02 -.261E+02 -.331E+01 -.108E+01 0.956E+01 -.242E-02 -.153E-02 -.178E-03
0.727E+02 -.278E+02 0.997E+02 -.804E+02 0.310E+02 -.961E+02 0.766E+01 -.311E+01 -.355E+01 0.310E-02 -.285E-02 -.686E-03
-.137E+02 0.601E+01 0.184E+03 0.398E+01 -.279E+01 -.187E+03 0.990E+01 -.322E+01 0.204E+01 -.902E-02 -.135E-02 0.110E-01
0.211E+02 0.943E+00 0.146E+03 -.230E+02 -.169E+01 -.152E+03 0.193E+01 0.744E+00 0.566E+01 -.128E-02 -.111E-02 -.127E-02
-.178E+02 0.173E+03 -.845E+02 0.207E+02 -.176E+03 0.993E+02 -.294E+01 0.306E+01 -.147E+02 0.906E-02 -.332E-02 -.941E-03
-.605E+02 0.196E+03 -.583E+02 0.630E+02 -.208E+03 0.689E+02 -.258E+01 0.118E+02 -.106E+02 -.149E-02 -.985E-03 0.683E-03
0.272E+02 0.154E+03 -.613E+02 -.427E+02 -.161E+03 0.674E+02 0.155E+02 0.656E+01 -.606E+01 -.214E-02 0.329E-02 0.143E-02
0.960E+02 0.205E+02 -.960E+02 -.102E+03 -.193E+02 0.899E+02 0.600E+01 -.123E+01 0.617E+01 0.376E-02 -.128E-02 -.232E-02
0.994E+02 0.118E+03 -.443E+02 -.105E+03 -.129E+03 0.395E+02 0.542E+01 0.105E+02 0.481E+01 -.996E-03 0.356E-02 0.433E-02
-.110E+03 0.843E+02 -.286E+02 0.108E+03 -.886E+02 0.319E+02 0.190E+01 0.431E+01 -.333E+01 -.403E-02 0.442E-03 0.828E-03
-.500E+02 -.338E+02 0.794E+02 0.440E+02 0.364E+02 -.769E+02 0.597E+01 -.264E+01 -.244E+01 0.219E-02 -.530E-02 0.127E-02
-.536E+02 0.125E+03 0.169E+03 0.523E+02 -.137E+03 -.180E+03 0.130E+01 0.118E+02 0.107E+02 0.396E-03 -.580E-02 -.118E-02
-.773E+02 0.440E+02 0.171E+02 0.777E+02 -.506E+02 -.160E+02 -.375E+00 0.652E+01 -.104E+01 0.877E-02 -.293E-02 0.181E-02
0.358E+02 0.708E+02 0.506E+02 -.339E+02 -.791E+02 -.535E+02 -.193E+01 0.824E+01 0.287E+01 0.550E-02 -.297E-02 0.178E-02
0.781E+01 -.837E+01 -.280E+02 -.103E+02 0.115E+02 0.322E+02 0.252E+01 -.314E+01 -.416E+01 0.864E-02 0.238E-02 -.285E-03
-.537E+02 -.363E+02 0.235E+02 0.643E+02 0.313E+02 -.384E+02 -.106E+02 0.496E+01 0.149E+02 -.864E-04 -.571E-02 -.113E-02
0.153E+02 -.499E+02 -.553E+02 -.215E+02 0.538E+02 0.566E+02 0.616E+01 -.394E+01 -.137E+01 0.610E-02 -.364E-02 0.181E-02
0.490E+02 -.191E+03 -.751E+02 -.630E+02 0.214E+03 0.966E+02 0.140E+02 -.228E+02 -.216E+02 0.127E-02 -.249E-02 0.143E-02
-.621E+02 -.558E+02 -.214E+02 0.707E+02 0.480E+02 0.226E+02 -.858E+01 0.778E+01 -.129E+01 0.405E-02 -.824E-02 -.143E-02
-.178E+02 0.160E+02 -.134E+03 0.346E+02 -.218E+02 0.120E+03 -.167E+02 0.581E+01 0.143E+02 0.487E-02 -.229E-02 -.505E-02
0.119E+03 0.159E+03 0.117E+03 -.128E+03 -.172E+03 -.129E+03 0.859E+01 0.132E+02 0.122E+02 -.245E-03 0.207E-02 -.422E-02
-.660E+02 -.394E+02 -.830E+01 0.656E+02 0.376E+02 0.421E+01 0.461E+00 0.175E+01 0.408E+01 0.129E-03 0.155E-02 -.634E-03
0.567E+02 0.175E+02 0.399E+02 -.590E+02 -.164E+02 -.393E+02 0.223E+01 -.107E+01 -.630E+00 -.217E-02 -.139E-03 -.115E-02
-.602E+02 -.277E+02 -.340E+02 0.600E+02 0.270E+02 0.333E+02 0.134E+00 0.634E+00 0.795E+00 0.896E-03 0.319E-02 -.746E-03
0.133E+02 -.118E+03 -.710E+02 -.193E+02 0.120E+03 0.738E+02 0.595E+01 -.230E+01 -.280E+01 0.144E-02 0.270E-02 0.515E-03
-.467E+01 -.745E+02 -.351E+02 -.111E+01 0.701E+02 0.294E+02 0.579E+01 0.438E+01 0.571E+01 0.417E-03 -.113E-02 0.525E-02
-.861E+02 -.977E+02 -.365E+02 0.967E+02 0.915E+02 0.317E+02 -.106E+02 0.618E+01 0.484E+01 0.109E-02 -.226E-02 0.276E-03
0.549E+01 0.223E+03 -.689E+02 -.747E+01 -.214E+03 0.106E+03 0.200E+01 -.906E+01 -.370E+02 0.990E-03 0.203E-02 -.476E-04
-.706E+02 0.473E+02 -.545E+02 0.930E+02 -.422E+02 0.549E+02 -.224E+02 -.508E+01 -.407E+00 -.244E-02 0.294E-02 0.798E-03
-.183E+02 0.321E+03 0.151E+03 0.190E+02 -.349E+03 -.161E+03 -.702E+00 0.279E+02 0.101E+02 -.250E-02 0.568E-02 0.119E-02
0.167E+03 0.261E+02 0.617E+02 -.173E+03 -.408E+01 -.557E+02 0.553E+01 -.220E+02 -.595E+01 0.209E-02 0.798E-02 0.752E-04
-.136E+03 0.339E+02 0.713E+00 0.157E+03 -.152E+02 0.255E+02 -.201E+02 -.188E+02 -.263E+02 -.677E-02 0.139E-02 0.641E-02
0.669E+02 -.180E+03 -.562E+02 -.715E+02 0.201E+03 0.512E+02 0.461E+01 -.204E+02 0.498E+01 -.131E-02 -.231E-02 -.193E-02
-.348E+02 0.859E+02 0.576E+02 0.412E+02 -.903E+02 -.575E+02 -.642E+01 0.437E+01 -.167E+00 0.358E-02 -.114E-02 0.435E-02
-.804E+02 -.123E+02 0.390E+02 0.882E+02 0.167E+02 -.373E+02 -.783E+01 -.443E+01 -.172E+01 0.402E-02 0.439E-02 0.606E-02
0.443E+02 0.274E+02 0.916E+02 -.503E+02 -.304E+02 -.101E+03 0.593E+01 0.300E+01 0.929E+01 0.594E-02 0.192E-02 -.248E-02
0.950E+02 0.455E+02 0.593E+02 -.948E+02 -.471E+02 -.399E+02 -.907E-02 0.161E+01 -.193E+02 -.133E-01 0.609E-03 -.106E-01
0.358E+02 0.129E+03 0.619E+02 -.366E+02 -.131E+03 -.623E+02 0.802E+00 0.217E+01 0.405E+00 0.255E-02 0.654E-02 -.496E-04
0.169E+02 0.798E+02 0.565E+02 -.136E+02 -.698E+02 -.586E+02 -.325E+01 -.996E+01 0.206E+01 0.664E-02 0.398E-02 0.324E-02
0.103E+03 -.335E+02 -.771E+02 -.107E+03 0.304E+02 0.762E+02 0.424E+01 0.312E+01 0.902E+00 -.139E-04 0.128E-02 0.444E-03
-.572E+02 0.721E+02 0.325E+02 0.734E+02 -.705E+02 -.331E+02 -.162E+02 -.159E+01 0.644E+00 0.562E-02 0.136E-02 -.130E-02
0.102E+03 0.167E+02 -.128E+03 -.116E+03 -.214E+02 0.141E+03 0.134E+02 0.464E+01 -.131E+02 0.254E-02 0.211E-02 -.228E-02
-.228E+01 -.220E+02 -.463E+02 0.165E+01 0.241E+02 0.484E+02 0.638E+00 -.215E+01 -.210E+01 0.105E-02 0.324E-02 -.274E-02
0.511E+02 -.930E+02 -.400E+02 -.446E+02 0.935E+02 0.417E+02 -.652E+01 -.528E+00 -.176E+01 0.193E-02 0.488E-03 -.232E-03
0.151E+03 -.253E+02 -.461E+02 -.168E+03 0.267E+02 0.446E+02 0.167E+02 -.145E+01 0.148E+01 -.255E-02 -.235E-02 -.127E-02
-.127E+02 -.106E+03 -.107E+02 0.945E+01 0.104E+03 0.513E+01 0.328E+01 0.187E+01 0.551E+01 0.120E-02 0.326E-03 0.261E-02
-.809E+02 0.370E+02 0.119E+03 0.965E+02 -.440E+02 -.128E+03 -.156E+02 0.707E+01 0.901E+01 -.236E-02 -.210E-03 -.237E-02
0.386E+02 -.113E+03 0.488E+02 -.513E+02 0.121E+03 -.538E+02 0.127E+02 -.816E+01 0.502E+01 -.288E-02 -.391E-02 -.464E-02
0.569E+02 -.128E+03 -.115E+03 -.580E+02 0.137E+03 0.114E+03 0.113E+01 -.888E+01 0.494E+00 -.286E-02 -.373E-02 0.185E-02
-.222E+02 -.153E+03 0.584E+02 0.202E+02 0.161E+03 -.753E+02 0.203E+01 -.749E+01 0.169E+02 -.450E-02 -.386E-02 -.318E-02
0.247E+02 -.106E+03 -.767E+02 -.270E+02 0.115E+03 0.751E+02 0.228E+01 -.861E+01 0.166E+01 -.385E-03 -.302E-02 -.256E-02
-.548E+02 0.285E+02 -.187E+03 0.457E+02 -.184E+02 0.223E+03 0.930E+01 -.102E+02 -.358E+02 -.821E-02 0.894E-02 0.378E-02
0.280E+02 -.180E+02 -.516E+02 -.377E+02 0.187E+02 0.480E+02 0.968E+01 -.653E+00 0.362E+01 0.122E-02 0.297E-02 0.126E-02
-.484E+02 0.117E+03 -.312E+02 0.501E+02 -.119E+03 0.326E+02 -.167E+01 0.162E+01 -.147E+01 -.163E-02 0.175E-02 -.328E-02
-.456E+02 -.148E+02 -.194E+02 0.477E+02 0.242E+02 0.184E+02 -.207E+01 -.938E+01 0.957E+00 -.138E-02 -.203E-02 0.814E-04
0.213E+03 -.103E+03 -.132E+02 -.246E+03 0.943E+02 -.309E+01 0.334E+02 0.858E+01 0.162E+02 -.140E-02 0.233E-02 0.179E-02
-.169E+03 -.157E+03 -.418E+02 0.180E+03 0.189E+03 0.327E+02 -.105E+02 -.319E+02 0.908E+01 -.270E-02 0.926E-03 -.126E-02
-.101E+03 0.154E+03 -.590E+02 0.100E+03 -.168E+03 0.710E+02 0.935E+00 0.145E+02 -.120E+02 -.103E-02 0.113E-02 0.420E-02
-.281E+03 0.134E+03 0.107E+03 0.312E+03 -.142E+03 -.871E+02 -.315E+02 0.753E+01 -.194E+02 -.195E-02 0.407E-02 -.791E-02
-.892E+02 0.889E+02 0.169E+02 0.901E+02 -.776E+02 -.125E+02 -.882E+00 -.113E+02 -.434E+01 -.239E-02 0.527E-02 0.195E-02
-.426E+02 -.270E+02 0.830E+02 0.394E+02 0.371E+02 -.883E+02 0.324E+01 -.100E+02 0.530E+01 0.422E-02 -.142E-02 -.992E-03
0.303E+02 0.156E+03 -.636E+02 -.318E+02 -.182E+03 0.858E+02 0.142E+01 0.259E+02 -.222E+02 0.355E-02 -.213E-02 0.255E-02
-.327E+02 0.157E+03 0.371E+02 0.338E+02 -.166E+03 -.371E+02 -.105E+01 0.822E+01 0.110E-02 -.380E-02 0.515E-02 -.139E-02
0.623E+01 0.697E+02 0.978E+02 -.636E+01 -.672E+02 -.999E+02 0.129E+00 -.257E+01 0.215E+01 -.338E-02 0.642E-02 -.167E-02
-.661E+02 0.309E+03 0.114E+03 0.735E+02 -.334E+03 -.122E+03 -.742E+01 0.250E+02 0.762E+01 -.483E-02 0.617E-02 0.194E-02
-.466E+02 -.274E+02 0.734E+02 0.519E+02 0.328E+02 -.769E+02 -.523E+01 -.539E+01 0.355E+01 -.505E-02 0.288E-02 -.321E-02
-.953E+02 -.148E+03 -.562E+01 0.976E+02 0.163E+03 -.997E+00 -.226E+01 -.153E+02 0.662E+01 -.423E-02 -.123E-02 -.211E-02
-.949E+02 -.178E+02 -.122E+03 0.101E+03 0.238E+02 0.131E+03 -.622E+01 -.600E+01 -.849E+01 -.272E-02 0.899E-04 -.288E-04
-.578E+02 -.377E+02 0.323E+02 0.660E+02 0.428E+02 -.440E+02 -.817E+01 -.508E+01 0.117E+02 -.354E-02 0.358E-02 0.382E-03
-.330E+02 0.418E+02 -.791E+02 0.333E+02 -.401E+02 0.821E+02 -.322E+00 -.171E+01 -.303E+01 -.236E-02 0.124E-02 0.803E-03
0.213E+02 -.855E+02 -.944E+02 -.180E+02 0.104E+03 0.902E+02 -.334E+01 -.182E+02 0.419E+01 0.360E-02 0.763E-02 0.274E-02
-.175E+02 -.179E+01 -.147E+02 0.176E+02 0.200E+01 0.179E+02 -.130E+00 -.212E+00 -.324E+01 -.541E-04 0.871E-04 -.786E-04
-.326E+02 0.684E+01 0.100E+02 0.346E+02 -.795E+01 -.122E+02 -.207E+01 0.112E+01 0.222E+01 -.316E-03 0.304E-03 -.207E-03
0.925E+01 -.329E+02 -.135E+02 -.981E+01 0.356E+02 0.150E+02 0.589E+00 -.271E+01 -.156E+01 -.308E-04 -.373E-03 -.295E-03
-.758E+01 -.123E+02 -.638E+02 0.870E+01 0.104E+02 0.690E+02 -.111E+01 0.194E+01 -.518E+01 0.346E-04 -.340E-03 0.328E-03
-.305E+02 0.653E+01 0.925E+00 0.337E+02 -.705E+01 -.831E+00 -.313E+01 0.521E+00 -.813E-01 -.124E-03 -.730E-04 0.625E-04
0.540E+02 -.298E+02 -.123E+02 -.594E+02 0.318E+02 0.122E+02 0.532E+01 -.199E+01 0.418E-01 -.240E-03 -.211E-03 -.531E-04
0.144E+02 0.227E+02 -.366E+02 -.142E+02 -.253E+02 0.380E+02 -.198E+00 0.255E+01 -.142E+01 0.950E-03 -.574E-04 -.468E-03
0.274E+02 -.828E+01 -.376E+02 -.293E+02 0.100E+02 0.391E+02 0.191E+01 -.174E+01 -.153E+01 0.463E-03 0.683E-04 -.391E-03
-.195E+02 0.138E+02 0.325E+02 0.214E+02 -.151E+02 -.344E+02 -.189E+01 0.133E+01 0.192E+01 0.146E-03 -.116E-02 0.502E-03
-.575E+01 0.320E+02 0.234E+02 0.731E+01 -.343E+02 -.250E+02 -.158E+01 0.225E+01 0.158E+01 -.623E-04 0.514E-03 -.435E-04
0.854E+01 -.361E+02 -.270E+02 -.877E+01 0.379E+02 0.286E+02 0.266E+00 -.188E+01 -.159E+01 0.741E-03 0.186E-04 -.966E-04
-.219E+02 -.188E+02 0.176E+02 0.246E+02 0.196E+02 -.192E+02 -.267E+01 -.832E+00 0.167E+01 -.307E-03 0.465E-03 -.267E-03
0.110E+00 -.356E+01 0.164E+02 -.137E+01 0.324E+01 -.173E+02 0.126E+01 0.320E+00 0.867E+00 -.205E-03 -.179E-03 0.113E-03
-.155E+02 0.167E+02 -.304E+02 0.160E+02 -.192E+02 0.321E+02 -.460E+00 0.253E+01 -.171E+01 -.395E-03 -.207E-03 0.556E-04
-.201E+02 0.670E+01 -.250E+02 0.220E+02 -.821E+01 0.267E+02 -.194E+01 0.153E+01 -.178E+01 0.120E-03 0.619E-04 -.589E-03
-.265E+02 0.112E+00 -.256E+02 0.290E+02 0.283E+00 0.273E+02 -.255E+01 -.405E+00 -.174E+01 -.335E-04 0.425E-03 0.414E-04
-.355E+02 -.355E+02 -.526E+02 0.375E+02 0.390E+02 0.567E+02 -.201E+01 -.345E+01 -.403E+01 -.144E-03 -.514E-03 0.198E-03
-.522E+02 0.195E+02 0.468E+00 0.564E+02 -.226E+02 -.233E+01 -.424E+01 0.309E+01 0.187E+01 -.105E-03 -.862E-03 0.274E-03
0.138E+02 -.187E+01 -.156E+01 -.162E+02 0.358E+01 0.123E+01 0.240E+01 -.172E+01 0.318E+00 -.854E-03 0.669E-03 -.930E-04
0.202E+02 0.143E+01 -.139E+02 -.226E+02 -.217E+01 0.158E+02 0.236E+01 0.736E+00 -.190E+01 -.928E-03 0.302E-05 0.690E-04
0.198E+02 0.302E+02 -.181E+01 -.209E+02 -.327E+02 0.304E+01 0.114E+01 0.255E+01 -.124E+01 -.305E-03 0.603E-03 -.420E-03
0.598E+01 -.266E+02 -.357E+02 -.812E+01 0.288E+02 0.399E+02 0.214E+01 -.215E+01 -.428E+01 -.755E-03 0.374E-03 -.246E-04
-.580E+02 -.126E+02 -.239E+02 0.627E+02 0.136E+02 0.262E+02 -.468E+01 -.105E+01 -.228E+01 -.340E-03 0.560E-03 -.721E-04
0.348E+02 0.178E+02 -.100E+02 -.386E+02 -.200E+02 0.131E+02 0.377E+01 0.224E+01 -.302E+01 -.276E-03 0.114E-03 -.306E-03
0.213E+02 -.403E+02 0.350E+02 -.233E+02 0.444E+02 -.377E+02 0.196E+01 -.406E+01 0.269E+01 -.402E-03 0.520E-04 -.173E-04
-.984E+00 -.736E+02 -.113E+02 0.188E+01 0.788E+02 0.119E+02 -.894E+00 -.515E+01 -.617E+00 0.181E-03 -.353E-03 0.229E-03
0.277E+02 -.305E+02 0.132E+02 -.317E+02 0.337E+02 -.149E+02 0.391E+01 -.320E+01 0.168E+01 0.842E-04 -.381E-03 -.150E-04
0.126E+02 0.520E+02 0.682E+01 -.143E+02 -.569E+02 -.622E+01 0.166E+01 0.493E+01 -.600E+00 -.222E-03 0.123E-04 -.384E-03
0.207E+02 -.559E+02 0.150E+02 -.234E+02 0.594E+02 -.177E+02 0.269E+01 -.352E+01 0.279E+01 0.470E-05 0.401E-04 -.614E-03
0.609E+02 0.178E+02 0.118E+02 -.660E+02 -.187E+02 -.111E+02 0.511E+01 0.972E+00 -.742E+00 0.295E-03 -.155E-03 0.271E-04
0.414E+02 0.230E+02 0.510E+02 -.442E+02 -.254E+02 -.545E+02 0.284E+01 0.240E+01 0.346E+01 -.165E-03 0.159E-03 0.823E-04
-.491E+02 0.971E+01 0.428E+02 0.530E+02 -.112E+02 -.461E+02 -.386E+01 0.151E+01 0.329E+01 0.174E-03 -.202E-03 0.486E-03
0.125E+02 -.236E+02 -.345E+02 -.153E+02 0.263E+02 0.381E+02 0.282E+01 -.267E+01 -.359E+01 -.400E-03 -.477E-03 0.129E-03
-.357E+02 -.740E+01 -.289E+02 0.408E+02 0.770E+01 0.301E+02 -.513E+01 -.310E+00 -.124E+01 0.811E-03 0.248E-03 -.474E-03
0.171E+02 0.660E+02 -.329E+02 -.191E+02 -.702E+02 0.354E+02 0.198E+01 0.414E+01 -.254E+01 0.365E-03 0.214E-03 -.271E-04
0.725E+01 0.463E+02 -.639E+01 -.692E+01 -.514E+02 0.709E+01 -.338E+00 0.512E+01 -.709E+00 0.383E-04 -.628E-03 0.155E-04
-.304E+02 -.165E+02 0.529E+02 0.317E+02 0.182E+02 -.577E+02 -.129E+01 -.168E+01 0.478E+01 0.209E-03 -.223E-03 -.106E-04
-.117E+01 -.520E+02 0.442E+02 0.151E+00 0.545E+02 -.487E+02 0.101E+01 -.253E+01 0.445E+01 -.775E-04 -.105E-02 -.751E-04
0.153E+02 -.444E+02 -.564E+01 -.157E+02 0.492E+02 0.314E+01 0.384E+00 -.475E+01 0.249E+01 0.251E-03 -.964E-03 -.144E-03
-.517E+02 0.206E+02 -.690E+01 0.567E+02 -.222E+02 0.746E+01 -.504E+01 0.164E+01 -.544E+00 -.499E-03 0.775E-03 -.300E-03
0.736E+01 -.710E+02 -.174E+02 -.710E+01 0.761E+02 0.179E+02 -.250E+00 -.511E+01 -.509E+00 0.815E-04 -.794E-05 -.849E-04
-.432E+01 0.498E+02 0.316E+01 0.584E+01 -.547E+02 -.395E+01 -.153E+01 0.494E+01 0.789E+00 -.215E-03 -.140E-03 0.445E-04
0.347E+02 0.564E+02 0.268E+02 -.368E+02 -.602E+02 -.297E+02 0.216E+01 0.374E+01 0.288E+01 0.418E-03 0.494E-03 0.159E-03
-.147E+02 0.381E+02 -.278E+02 0.173E+02 -.426E+02 0.284E+02 -.258E+01 0.450E+01 -.612E+00 0.378E-06 0.493E-03 0.213E-03
-.460E+02 0.180E+02 0.376E+02 0.507E+02 -.196E+02 -.395E+02 -.461E+01 0.165E+01 0.187E+01 -.111E-02 0.562E-04 0.863E-04
-.127E+02 0.446E+02 0.170E+01 0.124E+02 -.500E+02 -.199E+01 0.349E+00 0.540E+01 0.287E+00 -.793E-03 -.116E-03 0.483E-03
0.451E+01 -.618E+02 0.155E+02 -.489E+01 0.668E+02 -.173E+02 0.378E+00 -.496E+01 0.181E+01 -.978E-03 -.843E-03 0.461E-04
-.353E+02 0.744E+01 0.393E+02 0.385E+02 -.836E+01 -.433E+02 -.327E+01 0.919E+00 0.392E+01 -.749E-03 -.605E-03 0.419E-03
0.396E+02 0.135E+02 0.351E+02 -.431E+02 -.161E+02 -.380E+02 0.352E+01 0.257E+01 0.290E+01 -.641E-03 0.700E-03 -.182E-03
-.312E+02 0.274E+02 -.291E+02 0.336E+02 -.297E+02 0.331E+02 -.240E+01 0.234E+01 -.393E+01 0.221E-03 -.140E-03 0.276E-03
0.179E+01 -.314E+02 0.370E+02 -.284E+01 0.340E+02 -.416E+02 0.102E+01 -.259E+01 0.461E+01 -.821E-03 -.177E-03 -.220E-03
0.427E+02 0.298E+02 0.194E+02 -.479E+02 -.306E+02 -.194E+02 0.522E+01 0.853E+00 0.140E-01 0.106E-03 -.809E-04 0.141E-03
0.815E+01 0.339E+02 0.282E+02 -.913E+01 -.367E+02 -.326E+02 0.967E+00 0.280E+01 0.445E+01 -.156E-03 0.559E-03 0.327E-03
0.221E+02 -.423E+02 0.356E+01 -.242E+02 0.469E+02 -.149E+01 0.215E+01 -.451E+01 -.207E+01 -.822E-03 0.492E-03 0.288E-05
0.155E+02 0.381E+02 -.434E+02 -.166E+02 -.417E+02 0.471E+02 0.115E+01 0.363E+01 -.370E+01 -.350E-03 0.762E-03 0.238E-03
-.450E+02 0.399E+02 0.319E+02 0.464E+02 -.439E+02 -.352E+02 -.146E+01 0.398E+01 0.333E+01 -.193E-03 0.369E-03 0.778E-04
-.582E+02 -.307E+02 0.547E+01 0.630E+02 0.329E+02 -.555E+01 -.471E+01 -.215E+01 0.107E+00 -.579E-03 0.496E-03 -.385E-03
-.183E+02 -.178E+02 0.455E+02 0.190E+02 0.189E+02 -.507E+02 -.801E+00 -.110E+01 0.516E+01 -.155E-03 0.418E-03 0.594E-04
0.364E+02 -.286E+01 0.638E+02 -.388E+02 0.379E+01 -.684E+02 0.238E+01 -.925E+00 0.460E+01 -.148E-03 0.191E-03 -.319E-03
-.244E+02 -.264E+02 -.317E+02 0.277E+02 0.286E+02 0.350E+02 -.333E+01 -.221E+01 -.339E+01 0.657E-03 -.119E-03 0.526E-03
0.349E+02 -.175E+02 0.344E+02 -.377E+02 0.171E+02 -.388E+02 0.278E+01 0.345E+00 0.436E+01 0.501E-03 -.409E-03 0.288E-03
0.175E+02 0.250E+02 -.345E+02 -.199E+02 -.278E+02 0.383E+02 0.239E+01 0.272E+01 -.385E+01 0.191E-03 -.173E-03 -.281E-03
-.122E+02 0.567E+01 0.492E+02 0.146E+02 -.569E+01 -.539E+02 -.239E+01 0.212E-01 0.467E+01 -.106E-03 -.245E-03 -.141E-03
-.176E+02 -.548E+02 -.537E+02 0.195E+02 0.576E+02 0.578E+02 -.183E+01 -.280E+01 -.403E+01 0.335E-03 -.264E-04 0.138E-04
0.175E+02 -.278E+01 0.579E+02 -.171E+02 0.450E+01 -.629E+02 -.461E+00 -.171E+01 0.500E+01 0.298E-03 0.297E-05 0.153E-03
-.241E+02 0.459E+02 0.315E+01 0.275E+02 -.497E+02 -.188E+01 -.337E+01 0.381E+01 -.127E+01 -.850E-04 0.662E-04 0.285E-03
-.279E+02 -.422E+02 0.653E+01 0.283E+02 0.475E+02 -.622E+01 -.416E+00 -.526E+01 -.298E+00 0.437E-04 -.533E-03 0.440E-03
-.556E+02 -.754E+01 -.197E+02 0.605E+02 0.843E+01 0.212E+02 -.490E+01 -.890E+00 -.151E+01 -.203E-03 -.757E-03 -.110E-03
0.271E+02 -.295E+02 -.542E+02 -.294E+02 0.326E+02 0.576E+02 0.223E+01 -.311E+01 -.346E+01 0.643E-03 -.309E-04 -.433E-03
-.180E+02 0.452E+02 0.259E+02 0.202E+02 -.473E+02 -.303E+02 -.214E+01 0.211E+01 0.440E+01 0.639E-03 0.201E-03 0.358E-03
-.314E+02 -.257E+02 -.402E+02 0.345E+02 0.275E+02 0.439E+02 -.313E+01 -.180E+01 -.375E+01 0.259E-03 -.354E-03 -.177E-03
-.573E+02 0.624E+01 -.128E+02 0.619E+02 -.735E+01 0.150E+02 -.463E+01 0.113E+01 -.215E+01 0.128E-03 -.879E-03 0.324E-03
-.199E+02 -.563E+02 -.219E+02 0.211E+02 0.600E+02 0.253E+02 -.118E+01 -.378E+01 -.343E+01 -.872E-04 -.101E-02 -.375E-03
-.352E+01 -.109E+02 -.649E+02 0.520E+01 0.118E+02 0.699E+02 -.165E+01 -.939E+00 -.494E+01 0.287E-03 -.789E-03 -.554E-03
0.261E+02 0.266E+02 -.381E+02 -.287E+02 -.295E+02 0.417E+02 0.258E+01 0.294E+01 -.363E+01 0.209E-03 0.834E-03 -.315E-03
0.313E+02 -.134E+02 -.514E+02 -.338E+02 0.120E+02 0.557E+02 0.246E+01 0.141E+01 -.433E+01 0.164E-03 -.685E-04 0.143E-03
-.313E+02 -.190E+02 0.349E+02 0.351E+02 0.216E+02 -.376E+02 -.378E+01 -.259E+01 0.270E+01 -.419E-03 -.121E-03 0.220E-03
0.579E+02 0.757E+01 -.230E+02 -.620E+02 -.497E+01 0.250E+02 0.409E+01 -.259E+01 -.201E+01 0.498E-03 0.503E-03 0.800E-04
0.438E+02 -.249E+01 0.266E+02 -.464E+02 0.166E+01 -.309E+02 0.256E+01 0.831E+00 0.432E+01 0.327E-03 0.734E-03 -.544E-04
0.289E+02 0.368E+02 0.237E+02 -.323E+02 -.405E+02 -.251E+02 0.339E+01 0.374E+01 0.132E+01 -.105E-02 0.762E-04 0.126E-03
-.550E+02 -.693E+01 0.152E+02 0.599E+02 0.799E+01 -.168E+02 -.488E+01 -.106E+01 0.163E+01 -.504E-03 0.167E-03 0.273E-03
-.225E+02 -.208E+02 -.435E+02 0.247E+02 0.216E+02 0.482E+02 -.214E+01 -.800E+00 -.468E+01 -.118E-02 -.424E-03 -.146E-03
-.567E+01 -.602E+02 -.152E+01 0.536E+01 0.654E+02 0.161E+01 0.318E+00 -.524E+01 -.918E-01 -.100E-03 -.145E-02 0.263E-03
0.300E+02 -.210E+02 -.306E+02 -.328E+02 0.227E+02 0.347E+02 0.288E+01 -.168E+01 -.408E+01 -.775E-03 0.808E-04 -.199E-03
0.372E+02 0.131E+02 -.235E+01 -.421E+02 -.147E+02 0.278E+01 0.489E+01 0.163E+01 -.459E+00 -.110E-03 -.405E-03 -.832E-04
0.143E+02 0.338E+02 0.557E+01 -.161E+02 -.387E+02 -.652E+01 0.178E+01 0.486E+01 0.941E+00 -.777E-03 0.298E-03 -.968E-04
-.227E+02 0.337E+02 0.598E+02 0.243E+02 -.355E+02 -.645E+02 -.167E+01 0.185E+01 0.466E+01 -.291E-03 -.265E-03 0.376E-03
0.508E+02 -.159E+02 -.305E+02 -.555E+02 0.179E+02 0.318E+02 0.468E+01 -.199E+01 -.125E+01 -.127E-03 0.497E-03 0.195E-03
-.396E+02 -.170E+02 0.407E+02 0.439E+02 0.184E+02 -.436E+02 -.428E+01 -.142E+01 0.289E+01 -.812E-03 0.162E-03 0.154E-03
-.483E+02 -.623E+01 -.199E+02 0.534E+02 0.709E+01 0.207E+02 -.511E+01 -.847E+00 -.814E+00 -.867E-03 0.202E-03 0.242E-03
-.694E+02 -.606E+01 -.192E+02 0.739E+02 0.744E+01 0.214E+02 -.457E+01 -.138E+01 -.217E+01 -.377E-03 0.410E-03 0.521E-04
0.222E+02 -.123E+02 -.342E+02 -.237E+02 0.125E+02 0.395E+02 0.148E+01 -.141E+00 -.529E+01 0.939E-03 -.413E-03 0.658E-03
-.210E+02 0.343E+02 0.199E+02 0.239E+02 -.389E+02 -.205E+02 -.293E+01 0.461E+01 0.666E+00 0.149E-02 -.725E-03 0.551E-03
-.257E+02 -.305E+02 0.729E+01 0.292E+02 0.347E+02 -.810E+01 -.348E+01 -.418E+01 0.824E+00 0.738E-03 -.488E-03 0.379E-03
0.911E+01 -.436E+02 -.444E+02 -.862E+01 0.485E+02 0.465E+02 -.486E+00 -.494E+01 -.204E+01 0.199E-03 0.414E-03 -.418E-04
0.532E+02 -.119E+01 0.424E+00 -.581E+02 0.739E+00 -.273E+01 0.489E+01 0.453E+00 0.230E+01 0.665E-04 0.149E-03 -.105E-03
0.178E+01 0.308E+02 -.604E+02 -.154E+01 -.343E+02 0.644E+02 -.233E+00 0.352E+01 -.409E+01 0.221E-03 0.173E-03 -.273E-03
0.157E+02 -.169E+02 -.437E+02 -.162E+02 0.201E+02 0.481E+02 0.477E+00 -.322E+01 -.438E+01 -.114E-03 0.142E-03 -.823E-04
0.514E+02 -.211E+01 0.204E+02 -.559E+02 0.234E+01 -.233E+02 0.450E+01 -.233E+00 0.290E+01 0.217E-03 0.121E-03 0.194E-03
0.869E+01 0.478E+02 -.331E+02 -.809E+01 -.527E+02 0.349E+02 -.586E+00 0.496E+01 -.178E+01 0.121E-04 0.183E-03 -.109E-03
0.736E+01 0.363E+02 -.240E+02 -.512E+01 -.407E+02 0.264E+02 -.223E+01 0.442E+01 -.238E+01 0.640E-04 -.109E-03 0.974E-04
0.191E+02 -.243E+02 -.335E+02 -.179E+02 0.288E+02 0.368E+02 -.111E+01 -.444E+01 -.335E+01 0.348E-03 -.300E-03 0.972E-04
0.666E+02 0.998E+01 -.219E+01 -.717E+02 -.108E+02 0.208E+01 0.511E+01 0.800E+00 0.903E-01 -.643E-04 -.402E-03 0.866E-04
0.368E+02 -.178E+02 0.346E+02 -.418E+02 0.199E+02 -.356E+02 0.506E+01 -.205E+01 0.971E+00 -.101E-02 0.288E-03 0.482E-04
-.164E+02 -.351E+02 0.918E+01 0.199E+02 0.393E+02 -.837E+01 -.342E+01 -.428E+01 -.802E+00 -.735E-03 0.183E-03 0.426E-03
0.493E+00 0.264E+02 0.567E+02 0.951E+00 -.289E+02 -.611E+02 -.145E+01 0.253E+01 0.448E+01 -.860E-03 -.545E-04 0.257E-03
0.442E+02 -.209E+02 0.112E+02 -.486E+02 0.240E+02 -.127E+02 0.435E+01 -.311E+01 0.152E+01 -.163E-03 0.243E-03 -.276E-03
0.891E+01 -.117E+02 -.362E+02 -.892E+01 0.113E+02 0.418E+02 0.252E-01 0.361E+00 -.555E+01 -.177E-04 0.119E-03 -.319E-04
-.361E+02 -.231E+02 0.119E+02 0.405E+02 0.261E+02 -.133E+02 -.435E+01 -.296E+01 0.139E+01 0.678E-04 0.355E-03 -.128E-03
0.239E+02 0.365E+02 0.712E+00 -.273E+02 -.406E+02 0.791E+00 0.351E+01 0.408E+01 -.151E+01 -.100E-03 0.110E-03 0.189E-03
0.298E+01 0.146E+02 0.436E+02 -.229E+01 -.145E+02 -.489E+02 -.691E+00 -.103E+00 0.537E+01 -.477E-04 0.346E-03 0.288E-03
-.447E+02 0.222E+02 -.175E+02 0.495E+02 -.237E+02 0.194E+02 -.473E+01 0.150E+01 -.194E+01 -.199E-03 0.519E-03 0.219E-03
0.163E+02 0.322E+02 0.151E+02 -.170E+02 -.369E+02 -.168E+02 0.762E+00 0.473E+01 0.169E+01 0.993E-03 -.767E-04 -.161E-03
0.400E+02 -.335E+02 0.325E+02 -.434E+02 0.367E+02 -.354E+02 0.342E+01 -.325E+01 0.297E+01 0.120E-02 -.303E-04 -.428E-03
-.259E+02 -.153E+02 0.224E+02 0.312E+02 0.166E+02 -.237E+02 -.528E+01 -.131E+01 0.129E+01 0.143E-02 0.232E-03 0.183E-03
-.138E+02 0.292E+02 0.246E+02 0.169E+02 -.334E+02 -.266E+02 -.312E+01 0.414E+01 0.193E+01 -.966E-03 0.416E-03 -.179E-03
-.505E+01 -.247E+01 -.346E+02 0.567E+01 0.225E+01 0.400E+02 -.610E+00 0.224E+00 -.539E+01 -.101E-02 0.477E-03 -.208E-03
0.459E+02 0.704E+01 0.290E+02 -.511E+02 -.824E+01 -.301E+02 0.512E+01 0.120E+01 0.107E+01 -.982E-03 0.650E-03 -.159E-03
0.373E+02 0.575E+01 -.213E+02 -.415E+02 -.730E+01 0.243E+02 0.414E+01 0.155E+01 -.307E+01 0.965E-04 -.615E-03 0.181E-03
-.195E+02 -.363E+02 -.315E+02 0.222E+02 0.404E+02 0.340E+02 -.274E+01 -.412E+01 -.257E+01 0.105E-03 -.445E-03 -.982E-05
0.240E+02 -.896E+01 0.285E+02 -.262E+02 0.113E+02 -.332E+02 0.222E+01 -.229E+01 0.463E+01 0.337E-03 -.509E-03 0.281E-03
-.580E+02 0.223E+01 -.449E+01 0.633E+02 -.369E+01 0.435E+01 -.531E+01 0.145E+01 0.150E+00 -.866E-03 0.109E-03 -.172E-03
0.930E+01 0.212E+02 -.225E+02 -.125E+02 -.258E+02 0.228E+02 0.322E+01 0.464E+01 -.232E+00 -.704E-03 0.173E-03 0.511E-04
-.383E+01 -.182E+02 -.577E+02 0.308E+01 0.206E+02 0.624E+02 0.759E+00 -.234E+01 -.462E+01 -.875E-03 -.401E-04 0.119E-03
-.492E+02 0.111E+02 -.158E+00 0.537E+02 -.139E+02 -.758E+00 -.455E+01 0.277E+01 0.928E+00 -.909E-03 -.228E-03 -.648E-04
-.170E+02 -.347E+02 -.507E+02 0.175E+02 0.371E+02 0.555E+02 -.442E+00 -.235E+01 -.477E+01 -.476E-03 -.744E-03 -.381E-03
0.212E+02 0.213E+02 -.545E+01 -.255E+02 -.247E+02 0.571E+01 0.431E+01 0.335E+01 -.273E+00 -.637E-03 -.517E-03 -.234E-03
-.161E+02 -.433E+02 -.455E+01 0.180E+02 0.480E+02 0.653E+01 -.189E+01 -.470E+01 -.198E+01 -.272E-03 0.145E-04 -.519E-03
-.408E+02 0.227E+02 0.436E+02 0.448E+02 -.252E+02 -.460E+02 -.408E+01 0.247E+01 0.248E+01 -.275E-03 -.107E-04 -.544E-03
0.285E+02 -.114E+02 0.393E+02 -.323E+02 0.125E+02 -.430E+02 0.374E+01 -.117E+01 0.370E+01 -.828E-04 -.121E-03 -.264E-03
0.361E+02 -.940E+01 0.251E+02 -.392E+02 0.119E+02 -.288E+02 0.311E+01 -.249E+01 0.368E+01 0.275E-04 0.349E-03 -.479E-03
0.896E+01 0.400E+02 0.129E+02 -.822E+01 -.452E+02 -.145E+02 -.736E+00 0.512E+01 0.166E+01 0.157E-03 -.192E-03 -.725E-03
0.360E+02 0.964E+01 -.465E+02 -.389E+02 -.994E+01 0.510E+02 0.292E+01 0.306E+00 -.454E+01 -.323E-03 0.256E-03 -.314E-03
0.846E+01 -.406E+02 0.302E+02 -.699E+01 0.453E+02 -.329E+02 -.147E+01 -.466E+01 0.270E+01 -.543E-03 0.883E-03 -.253E-03
0.398E+02 0.332E+02 0.435E+02 -.431E+02 -.358E+02 -.469E+02 0.330E+01 0.261E+01 0.333E+01 -.299E-05 0.107E-02 -.201E-03
0.340E+02 -.170E+02 -.138E+02 -.372E+02 0.185E+02 0.182E+02 0.321E+01 -.148E+01 -.440E+01 -.329E-03 0.103E-02 -.100E-03
-.252E+02 -.358E+02 0.106E+02 0.275E+02 0.401E+02 -.128E+02 -.228E+01 -.433E+01 0.219E+01 -.983E-03 0.127E-03 0.907E-04
-.280E+02 0.262E+02 -.374E+01 0.320E+02 -.298E+02 0.483E+01 -.399E+01 0.355E+01 -.108E+01 -.687E-03 -.890E-04 0.154E-03
0.180E+02 0.288E+02 0.213E+02 -.211E+02 -.312E+02 -.251E+02 0.317E+01 0.239E+01 0.379E+01 -.536E-03 0.342E-03 0.317E-03
-.270E+02 0.290E+02 -.255E+02 0.297E+02 -.332E+02 0.276E+02 -.269E+01 0.425E+01 -.208E+01 -.767E-03 0.112E-02 -.665E-04
-.401E+01 -.431E+02 -.337E+02 0.479E+01 0.472E+02 0.369E+02 -.767E+00 -.413E+01 -.328E+01 -.790E-03 0.455E-03 -.182E-03
0.343E+02 -.356E+01 -.312E+01 -.399E+02 0.228E+01 0.341E+01 0.561E+01 0.128E+01 -.302E+00 -.412E-03 0.107E-02 -.707E-04
0.427E+02 0.300E+02 0.158E+02 -.475E+02 -.316E+02 -.181E+02 0.476E+01 0.158E+01 0.228E+01 0.112E-04 -.827E-04 0.160E-04
-.347E+02 0.280E+02 0.279E+02 0.388E+02 -.298E+02 -.311E+02 -.405E+01 0.182E+01 0.321E+01 0.334E-03 -.191E-03 -.117E-03
0.593E+01 0.472E+02 -.481E+02 -.557E+01 -.496E+02 0.528E+02 -.348E+00 0.247E+01 -.473E+01 0.124E-03 0.148E-03 0.157E-03
-.534E+02 -.839E+01 -.297E+02 0.585E+02 0.770E+01 0.315E+02 -.507E+01 0.687E+00 -.179E+01 0.146E-03 -.250E-03 -.151E-03
0.357E+01 -.532E+02 0.143E+02 -.376E+01 0.581E+02 -.166E+02 0.194E+00 -.486E+01 0.231E+01 0.271E-03 0.300E-03 -.176E-03
0.299E+02 -.137E+02 -.449E+02 -.330E+02 0.138E+02 0.492E+02 0.314E+01 -.113E+00 -.439E+01 0.217E-04 -.788E-04 0.211E-03
-.157E+02 0.203E+02 -.436E+02 0.162E+02 -.233E+02 0.483E+02 -.490E+00 0.291E+01 -.461E+01 -.944E-03 0.454E-03 0.132E-03
-.526E+02 0.311E+01 0.966E+01 0.574E+02 -.319E+01 -.121E+02 -.478E+01 0.755E-01 0.242E+01 -.982E-03 -.463E-05 0.598E-03
0.904E+01 -.455E+02 -.187E+02 -.104E+02 0.505E+02 0.201E+02 0.139E+01 -.501E+01 -.135E+01 -.611E-03 -.645E-03 0.580E-03
0.108E+02 -.222E+02 -.430E+02 -.111E+02 0.231E+02 0.484E+02 0.396E+00 -.947E+00 -.540E+01 -.481E-03 -.104E-02 0.214E-03
0.101E+02 -.532E+02 0.196E+02 -.105E+02 0.581E+02 -.219E+02 0.385E+00 -.491E+01 0.231E+01 -.703E-04 -.813E-03 -.110E-04
0.345E+02 0.184E+02 0.168E+02 -.387E+02 -.213E+02 -.183E+02 0.425E+01 0.291E+01 0.150E+01 -.251E-03 -.942E-03 0.346E-03
0.233E+02 -.576E+02 -.650E+02 -.218E+02 0.621E+02 0.715E+02 -.147E+01 -.449E+01 -.644E+01 -.538E-03 -.711E-03 -.793E-03
0.812E+01 0.238E+02 -.406E+02 -.119E+02 -.271E+02 0.429E+02 0.379E+01 0.333E+01 -.238E+01 0.711E-04 -.903E-03 0.320E-03
-.339E+02 -.595E+02 -.103E+02 0.373E+02 0.638E+02 0.914E+01 -.342E+01 -.428E+01 0.114E+01 0.165E-03 -.449E-04 -.111E-03
-.225E+02 -.292E+01 0.912E+02 0.213E+02 0.568E+01 -.992E+02 0.114E+01 -.271E+01 0.786E+01 0.106E-03 -.997E-04 0.125E-02
0.230E+01 0.102E+03 0.408E+02 -.246E+01 -.110E+03 -.441E+02 0.154E+00 0.760E+01 0.335E+01 -.479E-04 0.355E-03 0.681E-04
-.292E+02 0.483E+02 0.636E+02 0.318E+02 -.524E+02 -.702E+02 -.259E+01 0.407E+01 0.668E+01 -.340E-03 -.660E-03 -.418E-03
-.572E+02 0.474E+02 0.107E+02 0.633E+02 -.517E+02 -.132E+02 -.615E+01 0.432E+01 0.258E+01 0.168E-02 -.978E-03 -.599E-03
0.372E+02 -.318E+02 0.119E+02 -.411E+02 0.359E+02 -.115E+02 0.387E+01 -.415E+01 -.404E+00 -.176E-03 0.357E-04 -.128E-04
-.207E+02 -.300E+01 0.601E+02 0.238E+02 0.390E+01 -.645E+02 -.310E+01 -.902E+00 0.447E+01 0.158E-03 -.379E-03 -.309E-03
0.188E+02 0.428E+02 0.991E+01 -.216E+02 -.478E+02 -.110E+02 0.283E+01 0.499E+01 0.103E+01 -.702E-04 -.734E-03 -.306E-03
-----------------------------------------------------------------------------------------------
-.152E+02 0.154E+02 0.283E+02 -.238E-12 -.123E-11 -.647E-12 0.153E+02 -.155E+02 -.282E+02 -.594E-01 0.524E-01 0.242E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.64186 1.48214 17.06675 -0.032106 0.007607 0.009879
4.49284 1.47521 6.57925 0.015714 -0.016748 -0.010592
16.87498 4.72571 0.64170 -0.007616 -0.011859 0.011068
5.32170 4.12201 5.03854 0.006542 0.004201 0.022378
1.68124 1.81432 9.00229 -0.020444 -0.011557 0.006789
4.78388 1.79542 13.44420 0.018253 -0.007965 -0.003717
1.60923 4.66902 10.60859 0.038060 -0.003953 0.008234
4.59948 4.61605 11.97968 -0.023038 0.004380 0.015131
0.26168 7.88732 17.00346 0.008565 0.008776 -0.006081
4.32823 7.13237 6.13954 0.006340 -0.006425 -0.007246
1.15836 10.23248 2.22911 0.006388 -0.007592 -0.012713
4.20281 9.48982 3.74725 -0.030333 -0.018453 0.013083
1.45951 6.44809 7.93508 -0.008237 -0.013064 0.004053
4.91570 6.83546 14.41591 0.015892 0.014905 -0.009583
5.04439 9.97589 13.84703 0.000708 0.008038 -0.006131
1.38541 13.25089 0.04846 -0.014832 0.000949 -0.001163
4.47212 13.77451 7.04392 0.045692 0.006508 -0.023703
1.67940 15.88332 2.19110 0.040806 0.007456 -0.011423
4.12570 15.98171 4.64122 -0.032487 -0.002482 -0.018508
1.45762 14.59388 7.97478 -0.005180 -0.012305 0.002866
4.39413 13.02277 14.77671 0.011173 -0.003429 0.009475
1.58158 16.18476 10.72200 0.024927 -0.010239 -0.008923
4.62011 15.86249 12.36297 -0.054567 -0.001216 0.022915
6.86638 2.10523 15.68365 -0.000539 -0.023090 -0.031338
9.96461 1.59499 6.51611 0.030063 0.036601 -0.010423
7.05178 5.23315 2.92550 0.002904 -0.003249 -0.003513
9.74009 4.05705 4.25251 -0.054690 0.025999 -0.002406
7.25396 1.45400 8.41439 -0.060214 0.017229 -0.016146
9.83813 2.04153 14.59794 0.023239 0.004600 0.022129
7.49512 4.33811 9.97574 0.017222 -0.007253 0.003779
9.77521 4.37549 12.41487 -0.035853 0.048441 0.047667
7.22743 7.00067 0.30968 -0.033149 0.004008 0.008358
9.97060 7.34578 5.63347 0.027834 0.009085 0.010689
6.98121 9.88716 1.99920 0.042426 -0.005498 -0.007194
9.73749 10.17058 3.86376 -0.041861 -0.005870 -0.000304
7.63324 6.85537 7.87956 -0.023094 0.010432 0.026284
7.60951 11.17113 11.30108 0.015297 0.022184 0.021589
10.24116 11.37042 12.84021 -0.043510 -0.015243 0.006562
7.14968 12.18741 16.59045 -0.009400 0.009559 -0.002031
10.22717 13.24483 6.56251 0.018943 -0.018941 0.011572
7.10851 15.96803 3.31284 -0.238737 0.008552 -0.056121
9.98106 15.98258 4.67244 -0.023603 -0.008765 0.015025
7.45342 13.64050 8.60028 -0.030757 -0.009259 -0.007798
10.19282 13.78567 14.74825 0.045497 0.010576 0.029913
7.32963 16.13769 10.58599 0.016072 0.008259 0.001350
9.55633 16.50661 12.99637 -0.050456 -0.026803 -0.005566
12.29853 1.15054 16.68772 -0.011064 0.027089 -0.005286
15.94801 1.31221 7.49056 0.030142 0.008533 0.001649
14.06761 3.25645 1.45256 0.012603 0.001560 0.010576
15.37351 2.99046 4.61581 0.006936 -0.001618 -0.004416
12.89434 1.79925 8.93241 -0.007590 -0.004484 -0.004620
15.41721 0.15030 15.53900 0.019460 0.003852 0.009306
12.99686 3.86828 11.40381 0.010131 -0.003316 -0.007057
15.87222 5.01759 12.22934 -0.032684 -0.009789 -0.003977
13.22624 8.02406 16.93142 -0.041671 -0.014563 -0.006812
16.98314 5.51966 5.53486 0.016285 0.001464 0.049149
12.13025 10.55361 1.50822 0.044726 0.004562 0.002652
16.78535 10.30388 5.11962 -0.000424 -0.019341 0.029495
15.25706 8.16994 14.35662 0.020653 0.004594 -0.012325
12.33089 12.13902 11.06543 0.035030 0.002300 0.022668
14.90077 11.26681 12.89998 -0.014311 0.018313 -0.002384
12.59167 13.57151 16.79930 -0.019896 -0.000864 -0.004290
16.01848 13.07187 6.76003 0.031483 0.005270 0.010981
11.94689 16.26054 1.98798 0.032869 0.006397 -0.011752
14.34971 13.41488 4.27099 -0.008041 0.009547 0.016437
13.15964 13.25387 8.45805 -0.029089 0.001519 0.005684
15.62532 13.28220 15.23584 0.023278 0.001177 -0.002477
13.60971 15.77143 10.64971 0.031469 0.000653 -0.017119
16.15844 15.95275 12.69924 -0.023323 -0.007599 -0.013379
1.36654 0.57050 1.55189 -0.005078 -0.012434 -0.017280
0.90775 3.41886 0.01274 0.010844 0.003272 0.005364
4.02369 5.43045 5.36735 -0.005141 0.005819 -0.004756
3.20678 2.14546 7.86437 0.008429 0.028474 0.006615
5.79528 5.02115 10.57074 -0.003109 0.011625 -0.020689
17.04577 9.11743 1.21179 0.007356 0.010449 0.002848
2.77742 9.21192 2.48664 0.001232 0.014870 0.030833
2.81310 7.56780 7.26104 -0.010111 0.023877 0.002422
17.12044 8.39250 9.14037 0.012709 0.006091 -0.007136
3.95713 11.55753 13.54720 0.009072 -0.001283 0.003671
6.41726 10.12256 12.42911 -0.009161 -0.026371 -0.007083
16.91753 8.50780 15.23474 -0.023288 -0.013262 0.022567
1.44984 12.03085 1.55339 0.015683 -0.007018 -0.003265
4.79048 14.80710 13.98960 0.011040 0.000043 -0.012414
3.11870 15.33132 11.36232 -0.000667 0.030800 0.013696
3.00949 12.98255 16.24173 0.017730 -0.003585 0.015335
10.48073 5.76131 4.69188 0.001507 -0.012448 0.012472
11.49646 4.95789 11.70356 0.010498 0.009818 -0.011252
8.52749 2.92178 15.57855 0.003476 0.010989 0.002782
10.14635 11.45842 5.54347 0.000785 0.011650 -0.014219
5.80510 7.27850 7.38669 0.014360 -0.006926 -0.021914
6.47221 6.75190 15.62000 -0.019609 -0.004093 0.017177
6.87560 12.26263 9.84914 0.007699 -0.006743 -0.006692
8.78806 12.88249 15.53017 -0.018695 -0.019568 -0.019700
15.83933 1.43918 5.57695 -0.010524 0.002769 0.007403
15.29276 2.54508 2.69935 -0.018364 0.007427 0.006587
14.65503 2.32055 8.38987 0.006134 0.016810 0.017753
11.64250 2.01783 7.39434 -0.024012 -0.012151 0.020432
12.68819 0.12958 9.88300 -0.002819 -0.010341 -0.014131
15.37217 6.33533 13.63967 0.005680 -0.005606 0.009478
13.54304 0.37020 15.51574 0.002263 -0.010942 -0.024721
11.75266 6.99000 7.66732 -0.018309 0.008983 -0.030138
14.65615 9.39892 13.02257 0.004285 -0.004495 0.018439
11.79518 11.93591 0.23318 0.004297 -0.008006 0.004140
15.58618 14.27071 5.41637 -0.018732 -0.019586 -0.004746
12.64628 14.64779 1.25231 0.002496 0.002433 -0.002588
16.37264 14.38491 13.79086 0.009439 0.005350 0.005990
6.79855 4.16503 6.13590 -0.016432 0.003822 -0.008260
3.44577 2.11595 14.68039 -0.009457 0.007569 0.016297
3.40531 6.39619 15.41316 -0.017240 -0.005462 0.014296
4.68675 9.80120 15.71211 0.001032 -0.003645 0.009024
1.37468 15.81582 6.57831 -0.002109 -0.000761 -0.002375
7.09082 6.82694 3.84162 0.009703 -0.002096 0.005312
7.61960 10.48078 15.85078 0.002101 -0.012237 0.005616
7.41673 15.85090 1.53025 0.004702 -0.007407 0.010677
15.55464 16.72334 8.03624 0.007089 -0.013734 -0.002473
13.07552 4.75033 1.82604 -0.004284 -0.003357 -0.008233
15.87262 16.00190 16.79211 -0.003034 0.004313 -0.011599
13.32410 2.60448 12.73806 0.005314 0.001367 -0.003462
0.55202 6.59035 4.23847 0.011182 0.005980 -0.012592
15.18781 9.39240 4.84197 0.014198 0.006808 -0.001838
11.03001 13.47182 10.75280 -0.009657 0.013290 0.003916
15.23425 13.02029 2.66790 0.020979 0.001531 -0.018724
12.82605 15.26774 12.27016 -0.004526 0.002399 0.024991
4.40861 11.95418 6.74225 0.013508 0.000502 -0.000840
8.12617 8.21030 9.04369 -0.005107 -0.010531 -0.004859
13.25196 17.02672 3.08145 -0.019385 -0.014233 -0.021740
13.74918 3.77584 5.08644 -0.006057 0.005547 0.001072
11.37601 6.90345 15.32891 0.022354 0.003091 0.023958
4.65921 2.62510 5.40261 -0.023098 0.001322 0.000951
5.77772 4.27565 3.43351 -0.017919 0.006748 -0.014683
0.34442 1.70039 8.04747 -0.021819 0.000504 -0.015564
1.80174 0.52059 10.02548 -0.004332 0.020454 -0.004567
4.75176 3.01553 12.34452 -0.005522 0.004467 -0.005418
1.50874 3.14566 9.98821 0.003848 -0.006087 -0.006920
4.95502 5.61724 13.24762 0.005551 -0.008948 -0.013114
2.96521 4.81070 11.54603 -0.001001 0.004799 -0.001966
16.29007 1.39881 16.27637 0.005514 -0.008455 -0.008420
16.82529 6.26816 0.05617 -0.007542 -0.001917 0.001767
4.31848 8.27295 4.89424 0.003872 0.007732 -0.004315
5.63220 9.69456 2.96125 0.006331 -0.002372 -0.006350
0.94982 5.35700 6.79638 -0.016428 0.002151 -0.022689
1.85268 5.69227 9.33295 -0.009536 0.014638 0.000941
4.75642 8.28799 13.57962 0.000893 0.000056 -0.001818
0.07696 7.35453 8.20196 0.018530 -0.003530 -0.014501
4.28106 14.65768 5.60810 -0.006253 -0.021105 0.026014
1.65916 14.75321 0.95009 0.002465 -0.009006 -0.001351
4.07936 0.13554 5.63681 -0.004267 0.030134 0.014076
5.61974 16.05884 3.83511 0.152777 -0.007851 -0.054342
3.00960 15.90881 3.37775 -0.002086 -0.003065 -0.003822
3.08256 14.09556 7.94822 -0.033184 0.012159 0.022750
0.23024 13.47375 7.69670 0.001999 -0.005170 0.001049
1.10924 15.18602 9.46974 0.001512 0.006120 -0.003753
4.55401 0.32124 12.75898 -0.005694 0.006507 -0.002115
5.91022 15.72218 11.29971 0.028111 0.007435 -0.033972
16.98703 13.16104 16.30431 -0.004409 0.006223 0.004808
9.65979 2.88684 5.47612 -0.006820 -0.027110 0.019874
8.39000 4.29380 3.31729 0.008451 -0.011221 0.011342
8.63071 1.34825 7.47112 0.004683 -0.004466 0.004257
5.92531 1.23596 7.41078 0.022030 0.003257 0.010709
7.22991 0.30292 9.59065 0.006660 -0.020829 0.012993
10.15414 2.86963 13.21189 0.003981 -0.001531 -0.006325
7.20238 2.90264 9.16176 0.007408 -0.005154 -0.007467
9.15020 5.39149 13.44139 0.046732 -0.043097 -0.044745
8.72421 4.11169 11.04036 0.000403 -0.008867 -0.009971
6.24941 1.79371 14.18193 0.000943 0.004896 0.020661
6.87752 5.68410 1.32922 -0.008123 -0.009634 0.009973
9.84058 8.69234 4.65491 -0.001509 0.000786 -0.005203
7.03778 8.42542 1.15379 -0.013676 -0.002853 0.001409
10.91722 10.34107 2.66842 -0.004311 -0.007159 0.003168
8.28381 10.10313 3.07475 0.004602 0.003123 -0.004918
8.65359 6.97987 6.56400 0.007967 -0.002557 -0.011187
7.85764 5.44225 8.74725 -0.008223 -0.002278 0.007691
10.10672 10.04819 13.80428 0.016964 0.031376 -0.002583
10.83740 12.62435 13.70452 0.014149 0.009767 0.012848
11.31367 10.95617 11.63509 0.011671 -0.003119 -0.014338
8.78987 11.87364 12.23884 0.000396 -0.007786 -0.016615
8.85631 6.92825 0.03663 0.039607 -0.025242 -0.017594
6.87726 11.19773 1.06765 -0.023634 -0.005214 -0.012659
10.26960 14.61289 5.54621 -0.008840 0.040212 -0.026130
10.18844 0.20660 5.55045 -0.008836 -0.028056 -0.018571
10.69163 16.02913 3.16044 -0.019181 -0.000075 0.018128
8.30578 15.92981 4.34366 0.168936 -0.001657 0.098333
8.82130 13.37212 7.56575 0.002515 0.006419 0.000400
6.01013 14.02491 7.72938 0.004615 0.001095 0.001384
9.76327 15.09472 13.81751 -0.005168 0.021504 -0.016005
7.81155 14.92527 9.56726 -0.004452 0.014513 0.019404
9.32242 0.52828 14.12749 -0.001302 -0.009462 -0.010252
8.39193 16.36973 11.82378 0.008336 0.002886 0.014377
5.76916 12.65274 15.62085 -0.012379 0.004842 0.001261
11.64970 0.18989 0.72831 -0.003807 -0.019264 0.001290
13.23677 2.28659 0.45698 -0.009744 -0.020793 -0.015373
16.60574 4.08145 4.83083 -0.013256 -0.006695 -0.005554
12.61831 3.04271 10.00498 -0.000378 0.008690 0.001298
0.18398 5.11146 11.39172 -0.008112 -0.005136 -0.004420
14.49959 4.73254 11.30767 0.012668 0.000990 0.007289
11.14545 1.80549 15.70274 0.007053 -0.004628 -0.005548
14.28583 7.45191 0.94463 0.170189 -0.093301 -0.036334
12.46578 9.25606 0.51316 -0.000427 0.009527 -0.003770
16.43078 11.67463 5.98593 -0.006849 0.010246 0.001229
0.41622 10.55227 3.71540 0.005952 0.010750 -0.010754
15.60032 6.13509 6.19306 -0.007029 -0.055901 -0.097620
11.21623 7.79704 6.62079 -0.010295 -0.009817 0.014784
15.25724 11.88576 14.40388 0.004860 0.000405 0.002263
16.25282 11.55288 11.97219 0.024247 -0.066746 0.192850
13.64187 12.04601 12.11203 -0.013257 0.002416 -0.001624
14.09711 8.35626 15.56728 -0.010812 -0.000692 0.010456
12.17458 6.83199 16.52244 0.010015 0.021630 -0.012852
14.57426 12.94069 7.62601 0.006554 -0.007374 0.003799
11.72961 13.33798 7.47128 -0.002860 -0.002870 0.001848
12.95183 11.98895 9.51824 0.007245 -0.000405 -0.011363
13.50919 14.60599 9.39412 0.000502 0.012156 0.010269
15.85692 17.08529 13.91951 -0.005021 0.002714 0.002289
0.46199 16.24065 11.95912 -0.001010 0.003092 0.010593
15.13842 16.00726 11.36408 -0.008027 0.000962 0.003942
14.17694 13.51603 16.11870 -0.008292 -0.002241 0.007234
11.53282 14.18852 15.67996 -0.017883 -0.003687 -0.013944
16.92455 4.80564 2.12153 0.011615 -0.004217 -0.007648
1.60006 0.97274 16.06455 0.012817 0.008068 -0.003182
3.92598 10.74303 4.47997 0.028189 0.001529 0.000359
0.19161 8.00810 10.19181 0.016542 -0.008395 -0.001743
1.71818 7.63782 17.04318 0.002960 -0.006705 0.013228
16.08878 8.77149 9.12579 -0.000465 -0.006955 -0.016177
6.95549 0.80848 16.43421 0.008873 0.002154 0.002393
5.89680 2.96623 16.43815 0.014992 0.006542 -0.002015
10.71578 3.42562 3.31391 0.010928 -0.007137 0.000091
8.33908 10.11227 10.56568 -0.015733 -0.012970 0.003349
7.05576 13.36304 0.39824 0.028949 -0.005931 0.005418
10.76878 16.86957 12.24896 0.019775 0.002976 0.000605
15.38379 4.13029 0.42846 -0.004246 0.002248 -0.000289
16.09552 3.80459 13.07032 0.015724 0.012119 0.000867
0.59449 9.54532 6.01764 0.006212 0.017785 -0.006482
13.34874 10.76331 2.33409 -0.018982 -0.009002 0.009080
12.14258 7.65901 8.44743 0.021591 0.005057 0.028635
12.58494 6.37172 7.28872 0.003136 -0.007269 0.010350
13.16224 14.29868 4.08591 -0.002005 -0.005187 -0.013809
0.54949 15.53765 3.09511 -0.012125 -0.005884 -0.001010
13.80354 12.16564 4.87665 0.004412 -0.000040 -0.011349
0.91225 1.01832 2.45762 0.001294 0.004933 0.001181
1.87539 3.64522 0.50065 -0.003915 0.004300 0.007576
3.25532 4.96689 6.00833 0.002733 -0.007852 -0.009342
2.79245 3.00628 7.29890 -0.006735 -0.019166 0.007502
5.98165 6.10581 10.68965 0.002408 -0.016167 0.003206
16.24035 9.78504 0.85745 -0.006478 -0.007252 -0.014782
2.41818 8.17377 2.61366 0.000785 -0.004589 0.000422
2.23005 8.30027 6.66842 0.002144 -0.018614 0.004018
2.88370 11.35445 13.71363 -0.007587 -0.011239 -0.018523
5.78732 9.61133 11.66393 -0.000553 0.010195 0.011537
0.57261 8.18277 14.59300 -0.005757 -0.005138 0.003393
0.85677 12.59169 2.29873 -0.000125 0.011824 -0.007960
5.86628 14.88030 14.24365 -0.000331 -0.004921 0.026873
2.69235 14.46203 11.89749 0.004158 -0.014438 0.006041
3.07130 11.88376 16.39528 -0.003831 0.009422 -0.009944
10.75176 6.10306 3.67142 -0.019112 0.003076 0.008772
11.29364 5.49374 10.75758 -0.014218 -0.014130 0.014884
8.42795 3.90787 15.07502 -0.002810 -0.008670 -0.003129
11.19653 11.12062 5.65219 0.007053 0.014942 0.021533
5.85716 8.38277 7.49832 0.000486 0.010718 0.002669
6.79100 5.69792 15.47615 0.000444 -0.012144 0.000538
6.41389 11.45974 9.23912 -0.010327 0.006123 -0.016097
9.36616 11.94559 15.64178 -0.001793 0.010452 0.000845
16.80953 1.09253 5.17413 -0.004384 0.001100 0.020721
15.21576 1.45135 2.63136 -0.000971 -0.006115 0.001322
14.56534 3.34777 7.99739 -0.011265 -0.011830 0.004515
12.33304 1.81867 6.55032 -0.002562 -0.009053 -0.014134
11.94733 16.72679 9.27160 -0.005223 0.012510 -0.007767
15.88816 5.83304 14.48528 0.003299 0.008791 -0.006996
13.33163 0.90531 14.57374 -0.019689 0.002497 0.011657
13.56510 9.21298 13.02665 -0.015278 0.012684 -0.017023
11.55061 11.36060 16.46022 -0.010004 -0.000976 -0.002229
15.14675 15.18404 5.83622 -0.004509 0.016026 -0.000159
12.40784 13.89133 2.02070 0.007781 -0.009446 0.002385
16.66951 13.56314 13.11090 -0.013996 0.001508 0.012255
2.37332 1.04166 1.50953 0.011778 -0.007639 0.017234
1.01805 3.64919 16.09076 -0.017043 0.002241 0.005547
3.51889 5.62529 4.40614 -0.017853 -0.001283 -0.012465
3.91616 2.61636 8.57654 -0.004349 -0.016274 -0.011915
5.20853 4.94360 9.63382 -0.003162 -0.002141 0.015668
16.56872 8.53547 2.02104 0.001402 -0.008174 0.002324
3.27131 9.21385 1.49503 -0.014864 0.004997 -0.013534
3.19566 8.15529 8.11640 0.012697 -0.010503 -0.013009
4.05460 11.91693 12.50967 -0.011902 0.007455 -0.014001
7.14376 9.32463 12.68809 -0.006468 0.018047 0.002538
17.00999 9.60785 15.31198 0.002861 0.014560 0.006656
2.49587 12.22448 1.87043 0.001208 -0.005697 0.018076
4.30483 15.47805 14.72844 -0.004041 0.011385 -0.007521
3.56277 14.89720 10.44818 -0.014210 -0.001235 -0.015880
3.65695 13.36784 17.05902 -0.003143 -0.011503 -0.015030
11.45891 5.51513 5.15019 -0.010697 0.017835 0.012444
11.76700 5.74719 12.42874 0.009624 -0.012837 -0.003218
8.86451 3.10289 16.61294 0.028730 -0.004512 -0.005972
9.60815 10.85622 6.30064 0.001007 -0.010365 -0.006636
5.27661 6.97428 8.31451 0.010315 -0.005322 0.013240
7.25869 7.30498 15.06965 0.006262 0.005780 0.000294
6.00947 12.81878 10.26315 0.004637 0.010361 -0.018397
8.25360 12.70079 14.56991 -0.004645 0.000468 0.013526
15.11258 0.65299 5.29783 -0.008391 -0.003178 -0.016983
16.30882 2.77751 2.33549 0.011624 0.001465 0.016405
15.10573 2.46759 9.39291 0.006487 -0.007186 -0.017440
11.57906 3.12513 7.40578 0.001645 0.009944 -0.002742
12.08761 0.48351 10.74506 0.001160 0.009622 0.000285
14.32469 5.97509 13.73394 0.006707 -0.010015 -0.024263
13.18063 16.49027 15.32399 -0.006498 -0.004589 -0.011405
15.00848 9.01835 12.04666 -0.006951 -0.005847 -0.000931
10.81443 12.37891 0.50366 0.003076 0.012466 -0.015239
16.46546 14.55598 4.81965 0.004610 -0.001404 0.016617
13.71994 14.84637 1.42927 -0.006825 0.012431 0.019042
0.18292 14.69786 14.29151 -0.007572 -0.012225 0.015877
6.47663 4.19510 7.18233 0.014896 -0.001377 0.007703
7.36800 3.23977 5.99818 0.013823 -0.009219 0.008417
7.48159 5.00203 5.96722 0.008621 0.004782 0.008098
3.54489 3.12898 15.09790 0.004180 -0.013081 -0.008046
2.45410 2.02643 14.21510 -0.003515 -0.000913 -0.012219
3.49882 1.39940 15.51075 0.012316 0.004209 -0.013849
3.30788 7.04397 16.29180 0.015096 -0.002437 -0.019781
2.47808 6.44602 14.82382 -0.002551 0.002482 -0.011498
3.52764 5.36316 15.77776 0.007122 0.019998 -0.011515
5.12567 8.90986 16.17395 0.007158 0.005890 0.004448
4.88298 10.65991 16.35528 0.010063 -0.002408 -0.001560
3.59128 9.63651 15.67518 0.017093 0.002315 -0.020606
0.37545 16.21443 6.39318 -0.001933 0.001883 -0.006603
2.05611 16.65689 6.74488 0.006024 0.002545 0.005951
1.68796 15.29328 5.66147 -0.007003 0.001917 0.003983
6.22587 7.42176 3.53542 -0.011436 0.008517 -0.007317
7.07488 6.73594 4.92945 0.006315 0.002479 0.001631
7.98082 7.40631 3.56080 -0.009231 -0.003720 0.008682
6.93313 9.68398 16.12871 0.013597 0.013549 -0.003796
7.74019 10.50560 14.76054 -0.007292 0.006592 0.005435
8.60021 10.19190 16.25987 0.012233 -0.001542 0.012322
7.23764 14.79285 1.19001 -0.007887 0.005246 0.001400
6.72860 16.49932 0.97092 -0.019503 0.008423 -0.015143
8.45820 16.11558 1.30229 -0.024434 -0.000775 0.024505
16.16877 15.91470 7.64122 -0.006538 0.014443 0.005567
15.66248 16.69197 9.13059 0.008597 0.002263 -0.000762
14.50454 16.49596 7.80288 -0.008420 -0.003381 -0.011652
12.24084 4.40871 2.46186 0.004810 -0.000800 -0.007412
13.63408 5.53448 2.34970 0.009705 0.006648 0.008512
12.64881 5.17729 0.90571 -0.011963 0.004984 -0.007343
16.93320 15.72945 16.75354 0.006063 -0.008267 0.010985
15.26398 15.09882 16.81776 -0.002784 -0.006424 -0.006234
15.75097 16.50910 0.60846 0.007558 0.001141 -0.002218
14.24825 2.04135 12.54204 0.002349 -0.005955 0.012196
13.42131 3.09344 13.71920 0.012339 0.000535 0.009069
12.47161 1.91509 12.79299 -0.003349 -0.002061 -0.007633
0.93076 7.53867 4.64453 -0.002511 -0.005231 0.006062
1.38509 6.08118 3.73119 -0.023413 0.000380 0.024783
16.93753 6.82544 3.44263 -0.011733 0.001789 -0.009856
14.56768 9.90623 4.09358 -0.017689 0.003144 -0.016172
15.35611 8.36356 4.49632 -0.001043 0.003296 -0.002125
14.60701 9.33627 5.77561 0.021169 0.008593 -0.010736
11.33346 14.37589 10.22518 -0.001096 0.001337 -0.004510
10.36902 12.91433 10.06828 -0.017650 -0.000841 -0.019024
10.41860 13.75679 11.61195 0.016505 -0.005445 -0.012501
15.69461 13.91774 2.22715 -0.016546 -0.010482 0.018440
16.04195 12.31039 2.89527 -0.009414 0.007632 0.009762
14.59328 12.55102 1.91344 -0.010663 -0.002319 -0.007623
13.38692 14.41638 12.68156 0.002048 0.005854 -0.004620
13.00036 16.12795 12.93611 0.009926 -0.005611 -0.012081
11.77006 15.02994 12.31834 0.002657 0.005253 -0.014024
3.45661 11.64956 6.29252 -0.018441 -0.006799 -0.018897
5.22908 11.59788 6.10549 -0.013464 0.013250 0.012718
4.48771 11.45671 7.72183 0.007735 -0.000361 -0.000961
9.15595 8.06431 9.39981 0.017414 0.001937 0.017881
8.07473 9.19693 8.56239 -0.003747 0.002042 -0.003912
7.47409 8.22671 9.92870 0.011608 -0.005872 -0.015004
13.34871 16.44599 4.00751 0.018970 -0.008572 0.019695
14.22947 17.02630 2.58193 -0.001140 -0.001251 0.003951
12.97630 0.90629 3.34959 0.000971 0.012826 0.001551
13.67188 3.95068 6.16591 0.017263 -0.006585 -0.008944
13.67466 4.75781 4.59850 -0.008229 -0.003657 0.001133
12.88883 3.16843 4.76906 -0.003867 -0.004733 -0.008564
15.80548 6.68426 6.98118 0.027981 0.045002 0.060256
10.99343 6.33144 8.12394 0.000574 -0.004382 0.000089
0.65300 9.22756 8.95285 -0.002642 -0.000932 0.007449
16.09560 11.86308 11.06913 -0.039132 0.053130 -0.150062
10.09069 9.17278 13.38449 0.001712 -0.016400 -0.008859
9.09279 6.43850 16.39259 -0.023761 0.025579 0.041875
15.03450 6.92118 0.59996 -0.118357 0.087578 0.061872
10.63508 7.71281 15.40931 -0.014706 0.006231 -0.012108
12.00991 7.08722 14.44496 -0.012217 -0.001452 -0.002755
10.85487 5.94948 15.17544 -0.018926 -0.014769 -0.014441
-----------------------------------------------------------------------------------
total drift: 0.040825 -0.041748 0.076205
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4509453960 eV
energy without entropy= -2279.4745930585 energy(sigma->0) = -2279.45882795
d Force = 0.1655345E-02[-0.502E-02, 0.833E-02] d Energy = 0.1703912E-02-0.486E-04
d Force = 0.2734067E+00[ 0.252E+00, 0.295E+00] d Ewald = 0.2734093E+00-0.268E-05
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
Conjugate gradient step on ions:
trial-energy change: -0.001704 1 .order -0.001655 -0.008332 0.005022
(g-gl).g = 0.980E-02 g.g = 0.959E-02 gl.gl = 0.657E-01
g(Force) = 0.959E-02 g(Stress)= 0.000E+00 ortho =-0.219E-03
gamma = 0.14919
trial = 0.87220
opt step = 0.54865 (harmonic = 0.54421) maximal distance =0.00195951
next E = -2279.451874 (d E = -0.00263)
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 5 -------------------------------------------
--------------------------------------- Iteration 5( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1616
total energy-change (2. order) :-0.7376095E-03 (-0.8554533E-02)
number of electron 1204.0000383 magnetization
augmentation part 54.0276864 magnetization
free energy = -0.227945168912E+04 energy without entropy= -0.227947537133E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1920
total energy-change (2. order) :-0.2215706E-03 (-0.3170922E-03)
number of electron 1204.0000383 magnetization
augmentation part 54.0280802 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8731
0.8731
free energy = -0.227945191069E+04 energy without entropy= -0.227947558981E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1960
total energy-change (2. order) : 0.4568590E-04 (-0.1509497E-04)
number of electron 1204.0000383 magnetization
augmentation part 54.0280101 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2441
1.1507 1.3375
free energy = -0.227945186501E+04 energy without entropy= -0.227947554513E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1880
total energy-change (2. order) : 0.1324572E-04 (-0.1288566E-04)
number of electron 1204.0000383 magnetization
augmentation part 54.0279927 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.1813
1.8199 0.8621 0.8621
free energy = -0.227945185176E+04 energy without entropy= -0.227947553392E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 5( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1064
total energy-change (2. order) : 0.2983070E-05 (-0.1314966E-05)
number of electron 1204.0000383 magnetization
augmentation part 54.0279927 magnetization
free energy = -0.227945184878E+04 energy without entropy= -0.227947553113E+04
--------------------------------------------------------------------------------------------------------
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 -89.4942 2 -89.9764 3 -90.3024 4 -88.6791 5 -89.6451
6 -88.8976 7 -90.0176 8 -89.2630 9 -89.2517 10 -88.8400
11 -89.0677 12 -88.8728 13 -89.4125 14 -88.7250 15 -88.5925
16 -89.8707 17 -89.9098 18 -90.1361 19 -91.0027 20 -89.6024
21 -88.6581 22 -89.4891 23 -89.0068 24 -88.1883 25 -90.1327
26 -89.0554 27 -89.2920 28 -90.0682 29 -89.1002 30 -89.1707
31 -87.6701 32 -89.1442 33 -89.3394 34 -89.1685 35 -90.0064
36 -88.8550 37 -88.5428 38 -89.2813 39 -87.9779 40 -90.6600
41 -91.3767 42 -90.9689 43 -90.1209 44 -88.9872 45 -89.8697
46 -89.1866 47 -90.1121 48 -88.5493 49 -90.4882 50 -89.1447
51 -88.8820 52 -89.3164 53 -88.5547 54 -89.3782 55 -89.4655
56 -89.2722 57 -89.2434 58 -88.9829 59 -89.0411 60 -89.4044
61 -89.4661 62 -89.4797 63 -89.7249 64 -89.7975 65 -88.0757
66 -90.4224 67 -90.2090 68 -89.2937 69 -89.8272 70 -54.0380
71 -54.2559 72 -52.8471 73 -53.4321 74 -52.8691 75 -53.3216
76 -53.0840 77 -53.0828 78 -54.7523 79 -52.7239 80 -52.9699
81 -53.3620 82 -53.2397 83 -52.8987 84 -52.8311 85 -53.0995
86 -53.2016 87 -52.2537 88 -52.4822 89 -53.6636 90 -53.0841
91 -52.7953 92 -53.3785 93 -51.8816 94 -53.3736 95 -54.1991
96 -52.8668 97 -53.4109 98 -53.1031 99 -53.3686 100 -53.2724
101 -54.3869 102 -53.1413 103 -53.0881 104 -53.1397 105 -53.3723
106 -53.3455 107 -52.5631 108 -52.8836 109 -52.7274 110 -52.5256
111 -53.1270 112 -52.4178 113 -51.5968 114 -54.5331 115 -52.8280
116 -53.7398 117 -53.1736 118 -52.6478 119 -53.3547 120 -52.8727
121 -52.7907 122 -53.1647 123 -52.6533 124 -53.1174 125 -52.6312
126 -53.6029 127 -53.3865 128 -54.0583 129 -75.3037 130 -75.0452
131 -75.2951 132 -75.4256 133 -75.0641 134 -75.3771 135 -74.9126
136 -75.2221 137 -75.6988 138 -76.5118 139 -75.1847 140 -74.9481
141 -75.5585 142 -75.5548 143 -74.6213 144 -75.6780 145 -75.9697
146 -75.6553 147 -75.9730 148 -77.2770 149 -76.0874 150 -75.5436
151 -75.5176 152 -75.3275 153 -75.1231 154 -75.2156 155 -75.5511
156 -75.5405 157 -75.2797 158 -75.6404 159 -75.5660 160 -75.4326
161 -74.3844 162 -75.1637 163 -71.5206 164 -74.4255 165 -74.9785
166 -74.9907 167 -75.3224 168 -74.8454 169 -75.3999 170 -75.0119
171 -75.2529 172 -74.8965 173 -75.2562 174 -74.9227 175 -75.1567
176 -75.1163 177 -74.6735 178 -73.5287 179 -76.0649 180 -76.0077
181 -76.1096 182 -77.2624 183 -75.6396 184 -75.5285 185 -75.1845
186 -75.4033 187 -75.0856 188 -75.3708 189 -74.1813 190 -75.8351
191 -76.5004 192 -75.7159 193 -74.8913 194 -75.5067 195 -75.0254
196 -75.3952 197 -75.4670 198 -75.4122 199 -75.4989 200 -75.3697
201 -75.2697 202 -75.1158 203 -75.4808 204 -75.4137 205 -75.4299
206 -75.3664 207 -75.1669 208 -75.6347 209 -75.5911 210 -75.3868
211 -75.4269 212 -75.5174 213 -75.3736 214 -75.3269 215 -75.5237
216 -75.1570 217 -36.7727 218 -35.8251 219 -35.1586 220 -36.9801
221 -35.7623 222 -37.0742 223 -35.1568 224 -35.0559 225 -35.4612
226 -34.9205 227 -33.9878 228 -35.2893 229 -37.6171 230 -35.2403
231 -35.4264 232 -35.4100 233 -36.6579 234 -36.6455 235 -35.6086
236 -36.0110 237 -35.4175 238 -37.6593 239 -37.9847 240 -36.9241
241 -37.1690 242 -36.7155 243 -37.0858 244 -37.0230 245 -37.0295
246 -36.5791 247 -36.7924 248 -37.2257 249 -37.0914 250 -36.5644
251 -36.8874 252 -36.9083 253 -37.0831 254 -36.1879 255 -36.1390
256 -36.8743 257 -37.0021 258 -36.4575 259 -37.1352 260 -36.0710
261 -37.3348 262 -38.0769 263 -36.8545 264 -37.2421 265 -36.9788
266 -37.1094 267 -37.1581 268 -37.0178 269 -36.8393 270 -37.2158
271 -37.2998 272 -36.9467 273 -37.7369 274 -37.9398 275 -36.9762
276 -37.1796 277 -36.8283 278 -37.2279 279 -36.9609 280 -37.0509
281 -36.5015 282 -36.6017 283 -37.2430 284 -37.0862 285 -36.7389
286 -36.8090 287 -36.8228 288 -37.1057 289 -36.1680 290 -36.6159
291 -36.8880 292 -37.0041 293 -36.3604 294 -37.0614 295 -36.1000
296 -37.3983 297 -38.2283 298 -36.8980 299 -37.1119 300 -36.9189
301 -37.1177 302 -37.2702 303 -37.0190 304 -36.9975 305 -37.1746
306 -37.4103 307 -37.1611 308 -36.5712 309 -36.5481 310 -36.6622
311 -36.7745 312 -36.7188 313 -36.7963 314 -36.5933 315 -36.6099
316 -36.6551 317 -36.3181 318 -36.1835 319 -36.4973 320 -37.0484
321 -36.9554 322 -37.1321 323 -36.3433 324 -36.4460 325 -36.4143
326 -35.5494 327 -35.5337 328 -35.5235 329 -37.6926 330 -38.0707
331 -38.0315 332 -36.8449 333 -36.7024 334 -36.8242 335 -37.5708
336 -37.4364 337 -37.1799 338 -37.1291 339 -37.1275 340 -37.2930
341 -36.4933 342 -36.5792 343 -36.4532 344 -37.1600 345 -37.2115
346 -37.2445 347 -36.6540 348 -36.6731 349 -36.6306 350 -36.6879
351 -36.6033 352 -36.5419 353 -37.0052 354 -36.9485 355 -36.9221
356 -36.5324 357 -36.6295 358 -36.4864 359 -36.8453 360 -36.8623
361 -37.0021 362 -36.4349 363 -36.5260 364 -36.5063 365 -37.4011
366 -37.6040 367 -37.5312 368 -37.1315 369 -37.1983 370 -37.3165
371 -39.2095 372 -36.7051 373 -37.0100 374 -39.7737 375 -39.5632
376 -38.9405 377 -39.7185 378 -36.3351 379 -36.4940 380 -36.1957
E-fermi : 0.8042 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.8041749978
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6491 2.00000
2 -21.2106 2.00000
3 -20.6543 2.00000
4 -20.5287 2.00000
5 -20.4999 2.00000
6 -20.4008 2.00000
7 -20.3386 2.00000
8 -20.2649 2.00000
9 -20.2419 2.00000
10 -20.2141 2.00000
11 -20.1877 2.00000
12 -20.1588 2.00000
13 -20.1467 2.00000
14 -20.1011 2.00000
15 -20.0974 2.00000
16 -20.0735 2.00000
17 -20.0173 2.00000
18 -19.9190 2.00000
19 -19.8727 2.00000
20 -19.8311 2.00000
21 -19.8018 2.00000
22 -19.7752 2.00000
23 -19.7379 2.00000
24 -19.7195 2.00000
25 -19.6967 2.00000
26 -19.6765 2.00000
27 -19.6574 2.00000
28 -19.6388 2.00000
29 -19.6216 2.00000
30 -19.6120 2.00000
31 -19.5825 2.00000
32 -19.5626 2.00000
33 -19.5157 2.00000
34 -19.4839 2.00000
35 -19.4672 2.00000
36 -19.4436 2.00000
37 -19.4223 2.00000
38 -19.4006 2.00000
39 -19.3516 2.00000
40 -19.3298 2.00000
41 -19.3058 2.00000
42 -19.2994 2.00000
43 -19.2843 2.00000
44 -19.2765 2.00000
45 -19.2305 2.00000
46 -19.2261 2.00000
47 -19.1922 2.00000
48 -19.1859 2.00000
49 -19.1800 2.00000
50 -19.1432 2.00000
51 -19.1353 2.00000
52 -19.1239 2.00000
53 -19.1083 2.00000
54 -19.0850 2.00000
55 -19.0656 2.00000
56 -19.0469 2.00000
57 -19.0325 2.00000
58 -19.0219 2.00000
59 -19.0092 2.00000
60 -18.9814 2.00000
61 -18.9644 2.00000
62 -18.9502 2.00000
63 -18.9460 2.00000
64 -18.9394 2.00000
65 -18.9044 2.00000
66 -18.8625 2.00000
67 -18.8587 2.00000
68 -18.8508 2.00000
69 -18.8494 2.00000
70 -18.7925 2.00000
71 -18.7884 2.00000
72 -18.7764 2.00000
73 -18.7662 2.00000
74 -18.7287 2.00000
75 -18.6970 2.00000
76 -18.6617 2.00000
77 -18.6441 2.00000
78 -18.6252 2.00000
79 -18.6132 2.00000
80 -18.5788 2.00000
81 -18.4882 2.00000
82 -18.3645 2.00000
83 -18.3319 2.00000
84 -18.3013 2.00000
85 -18.0627 2.00000
86 -17.9724 2.00000
87 -17.1808 2.00000
88 -15.1309 2.00000
89 -13.6200 2.00000
90 -13.5525 2.00000
91 -13.2320 2.00000
92 -13.0508 2.00000
93 -12.9480 2.00000
94 -12.8530 2.00000
95 -12.7727 2.00000
96 -12.7404 2.00000
97 -12.7332 2.00000
98 -12.6751 2.00000
99 -12.6260 2.00000
100 -12.5628 2.00000
101 -12.5243 2.00000
102 -12.4848 2.00000
103 -12.4632 2.00000
104 -12.4213 2.00000
105 -12.3982 2.00000
106 -12.3704 2.00000
107 -12.3402 2.00000
108 -12.3092 2.00000
109 -12.2864 2.00000
110 -12.2694 2.00000
111 -12.2275 2.00000
112 -12.2206 2.00000
113 -12.1941 2.00000
114 -12.1452 2.00000
115 -12.1385 2.00000
116 -12.1064 2.00000
117 -12.1045 2.00000
118 -12.0637 2.00000
119 -12.0465 2.00000
120 -11.9959 2.00000
121 -11.9815 2.00000
122 -11.9456 2.00000
123 -11.9178 2.00000
124 -11.9128 2.00000
125 -11.8873 2.00000
126 -11.8673 2.00000
127 -11.8447 2.00000
128 -11.8307 2.00000
129 -11.8256 2.00000
130 -11.7853 2.00000
131 -11.7602 2.00000
132 -11.7288 2.00000
133 -11.7198 2.00000
134 -11.6827 2.00000
135 -11.6156 2.00000
136 -11.6014 2.00000
137 -11.5922 2.00000
138 -11.5742 2.00000
139 -11.5166 2.00000
140 -11.5103 2.00000
141 -11.4460 2.00000
142 -11.4100 2.00000
143 -11.3922 2.00000
144 -11.3245 2.00000
145 -11.1648 2.00000
146 -11.0512 2.00000
147 -11.0480 2.00000
148 -10.6323 2.00000
149 -10.4840 2.00000
150 -10.3831 2.00000
151 -10.1435 2.00000
152 -10.0964 2.00000
153 -10.0606 2.00000
154 -9.8800 2.00000
155 -9.8295 2.00000
156 -9.8137 2.00000
157 -9.7744 2.00000
158 -9.6475 2.00000
159 -9.5927 2.00000
160 -9.4843 2.00000
161 -9.4709 2.00000
162 -9.3967 2.00000
163 -9.3760 2.00000
164 -9.3353 2.00000
165 -9.3040 2.00000
166 -9.1954 2.00000
167 -9.1805 2.00000
168 -9.1594 2.00000
169 -9.0743 2.00000
170 -8.9831 2.00000
171 -8.9678 2.00000
172 -8.9197 2.00000
173 -8.8799 2.00000
174 -8.8330 2.00000
175 -8.7994 2.00000
176 -8.7292 2.00000
177 -8.6930 2.00000
178 -8.6473 2.00000
179 -8.5836 2.00000
180 -8.4462 2.00000
181 -8.4002 2.00000
182 -8.3274 2.00000
183 -8.2760 2.00000
184 -8.2162 2.00000
185 -8.1849 2.00000
186 -8.1653 2.00000
187 -8.0950 2.00000
188 -8.0790 2.00000
189 -8.0280 2.00000
190 -7.9763 2.00000
191 -7.9580 2.00000
192 -7.9124 2.00000
193 -7.8353 2.00000
194 -7.7766 2.00000
195 -7.7347 2.00000
196 -7.6990 2.00000
197 -7.6613 2.00000
198 -7.6280 2.00000
199 -7.5872 2.00000
200 -7.5727 2.00000
201 -7.5400 2.00000
202 -7.5114 2.00000
203 -7.4771 2.00000
204 -7.4333 2.00000
205 -7.4084 2.00000
206 -7.3346 2.00000
207 -7.3315 2.00000
208 -7.2871 2.00000
209 -7.2604 2.00000
210 -7.2413 2.00000
211 -7.2014 2.00000
212 -7.1808 2.00000
213 -7.1453 2.00000
214 -7.1186 2.00000
215 -7.0840 2.00000
216 -7.0465 2.00000
217 -7.0217 2.00000
218 -6.9826 2.00000
219 -6.9580 2.00000
220 -6.9206 2.00000
221 -6.8815 2.00000
222 -6.8074 2.00000
223 -6.7799 2.00000
224 -6.7439 2.00000
225 -6.7013 2.00000
226 -6.6860 2.00000
227 -6.6804 2.00000
228 -6.6595 2.00000
229 -6.6438 2.00000
230 -6.5973 2.00000
231 -6.5833 2.00000
232 -6.5261 2.00000
233 -6.4975 2.00000
234 -6.4785 2.00000
235 -6.3974 2.00000
236 -6.3640 2.00000
237 -6.3212 2.00000
238 -6.2992 2.00000
239 -6.2194 2.00000
240 -6.1815 2.00000
241 -6.1508 2.00000
242 -6.1201 2.00000
243 -6.0963 2.00000
244 -6.0704 2.00000
245 -6.0436 2.00000
246 -6.0319 2.00000
247 -6.0044 2.00000
248 -5.9964 2.00000
249 -5.9558 2.00000
250 -5.9032 2.00000
251 -5.8805 2.00000
252 -5.8475 2.00000
253 -5.8214 2.00000
254 -5.7807 2.00000
255 -5.7710 2.00000
256 -5.7521 2.00000
257 -5.7395 2.00000
258 -5.7284 2.00000
259 -5.7122 2.00000
260 -5.7043 2.00000
261 -5.6871 2.00000
262 -5.6565 2.00000
263 -5.6378 2.00000
264 -5.6206 2.00000
265 -5.6028 2.00000
266 -5.5778 2.00000
267 -5.5687 2.00000
268 -5.5387 2.00000
269 -5.5230 2.00000
270 -5.5162 2.00000
271 -5.4922 2.00000
272 -5.4766 2.00000
273 -5.4548 2.00000
274 -5.4437 2.00000
275 -5.4328 2.00000
276 -5.4270 2.00000
277 -5.4060 2.00000
278 -5.3981 2.00000
279 -5.3819 2.00000
280 -5.3543 2.00000
281 -5.3461 2.00000
282 -5.3140 2.00000
283 -5.2968 2.00000
284 -5.2844 2.00000
285 -5.2763 2.00000
286 -5.2635 2.00000
287 -5.2527 2.00000
288 -5.2362 2.00000
289 -5.2257 2.00000
290 -5.2109 2.00000
291 -5.2006 2.00000
292 -5.1833 2.00000
293 -5.1809 2.00000
294 -5.1710 2.00000
295 -5.1507 2.00000
296 -5.1436 2.00000
297 -5.1381 2.00000
298 -5.1166 2.00000
299 -5.0930 2.00000
300 -5.0855 2.00000
301 -5.0738 2.00000
302 -5.0695 2.00000
303 -5.0535 2.00000
304 -5.0446 2.00000
305 -5.0266 2.00000
306 -5.0142 2.00000
307 -4.9969 2.00000
308 -4.9916 2.00000
309 -4.9764 2.00000
310 -4.9545 2.00000
311 -4.9455 2.00000
312 -4.9249 2.00000
313 -4.9223 2.00000
314 -4.9131 2.00000
315 -4.8908 2.00000
316 -4.8828 2.00000
317 -4.8742 2.00000
318 -4.8620 2.00000
319 -4.8496 2.00000
320 -4.8357 2.00000
321 -4.8266 2.00000
322 -4.8155 2.00000
323 -4.8075 2.00000
324 -4.8036 2.00000
325 -4.7881 2.00000
326 -4.7708 2.00000
327 -4.7630 2.00000
328 -4.7451 2.00000
329 -4.7391 2.00000
330 -4.7288 2.00000
331 -4.7164 2.00000
332 -4.7122 2.00000
333 -4.7029 2.00000
334 -4.6850 2.00000
335 -4.6785 2.00000
336 -4.6660 2.00000
337 -4.6623 2.00000
338 -4.6359 2.00000
339 -4.6209 2.00000
340 -4.6156 2.00000
341 -4.6047 2.00000
342 -4.5908 2.00000
343 -4.5723 2.00000
344 -4.5541 2.00000
345 -4.5487 2.00000
346 -4.5369 2.00000
347 -4.5172 2.00000
348 -4.5047 2.00000
349 -4.4849 2.00000
350 -4.4760 2.00000
351 -4.4669 2.00000
352 -4.4540 2.00000
353 -4.4435 2.00000
354 -4.4392 2.00000
355 -4.4308 2.00000
356 -4.4136 2.00000
357 -4.3992 2.00000
358 -4.3872 2.00000
359 -4.3777 2.00000
360 -4.3684 2.00000
361 -4.3563 2.00000
362 -4.3410 2.00000
363 -4.3298 2.00000
364 -4.3177 2.00000
365 -4.3052 2.00000
366 -4.2785 2.00000
367 -4.2706 2.00000
368 -4.2565 2.00000
369 -4.2358 2.00000
370 -4.2273 2.00000
371 -4.2201 2.00000
372 -4.2063 2.00000
373 -4.1927 2.00000
374 -4.1737 2.00000
375 -4.1547 2.00000
376 -4.1453 2.00000
377 -4.1363 2.00000
378 -4.1257 2.00000
379 -4.1144 2.00000
380 -4.1073 2.00000
381 -4.1027 2.00000
382 -4.0672 2.00000
383 -4.0587 2.00000
384 -4.0497 2.00000
385 -4.0376 2.00000
386 -4.0247 2.00000
387 -4.0178 2.00000
388 -4.0053 2.00000
389 -3.9816 2.00000
390 -3.9783 2.00000
391 -3.9683 2.00000
392 -3.9515 2.00000
393 -3.9344 2.00000
394 -3.9196 2.00000
395 -3.8996 2.00000
396 -3.8942 2.00000
397 -3.8851 2.00000
398 -3.8671 2.00000
399 -3.8634 2.00000
400 -3.8482 2.00000
401 -3.8396 2.00000
402 -3.8284 2.00000
403 -3.8020 2.00000
404 -3.7958 2.00000
405 -3.7704 2.00000
406 -3.7699 2.00000
407 -3.7550 2.00000
408 -3.7369 2.00000
409 -3.7163 2.00000
410 -3.7049 2.00000
411 -3.7013 2.00000
412 -3.6944 2.00000
413 -3.6852 2.00000
414 -3.6757 2.00000
415 -3.6665 2.00000
416 -3.6465 2.00000
417 -3.6365 2.00000
418 -3.6341 2.00000
419 -3.6209 2.00000
420 -3.6049 2.00000
421 -3.5961 2.00000
422 -3.5872 2.00000
423 -3.5664 2.00000
424 -3.5483 2.00000
425 -3.5303 2.00000
426 -3.5155 2.00000
427 -3.5129 2.00000
428 -3.5039 2.00000
429 -3.4780 2.00000
430 -3.4642 2.00000
431 -3.4573 2.00000
432 -3.4436 2.00000
433 -3.4284 2.00000
434 -3.4235 2.00000
435 -3.4117 2.00000
436 -3.4003 2.00000
437 -3.3974 2.00000
438 -3.3658 2.00000
439 -3.3625 2.00000
440 -3.3535 2.00000
441 -3.3299 2.00000
442 -3.3189 2.00000
443 -3.3130 2.00000
444 -3.2839 2.00000
445 -3.2626 2.00000
446 -3.2613 2.00000
447 -3.2487 2.00000
448 -3.2283 2.00000
449 -3.2222 2.00000
450 -3.2172 2.00000
451 -3.2057 2.00000
452 -3.1859 2.00000
453 -3.1798 2.00000
454 -3.1744 2.00000
455 -3.1482 2.00000
456 -3.1462 2.00000
457 -3.1398 2.00000
458 -3.1213 2.00000
459 -3.1101 2.00000
460 -3.0957 2.00000
461 -3.0782 2.00000
462 -3.0703 2.00000
463 -3.0635 2.00000
464 -3.0611 2.00000
465 -3.0523 2.00000
466 -3.0389 2.00000
467 -3.0255 2.00000
468 -3.0221 2.00000
469 -3.0195 2.00000
470 -2.9964 2.00000
471 -2.9943 2.00000
472 -2.9803 2.00000
473 -2.9644 2.00000
474 -2.9509 2.00000
475 -2.9367 2.00000
476 -2.9144 2.00000
477 -2.9100 2.00000
478 -2.8913 2.00000
479 -2.8849 2.00000
480 -2.8791 2.00000
481 -2.8692 2.00000
482 -2.8556 2.00000
483 -2.8248 2.00000
484 -2.8224 2.00000
485 -2.8178 2.00000
486 -2.8002 2.00000
487 -2.7807 2.00000
488 -2.7616 2.00000
489 -2.7600 2.00000
490 -2.7540 2.00000
491 -2.7464 2.00000
492 -2.7293 2.00000
493 -2.7213 2.00000
494 -2.7067 2.00000
495 -2.7049 2.00000
496 -2.6917 2.00000
497 -2.6871 2.00000
498 -2.6695 2.00000
499 -2.6654 2.00000
500 -2.6496 2.00000
501 -2.6440 2.00000
502 -2.6191 2.00000
503 -2.6023 2.00000
504 -2.6004 2.00000
505 -2.5826 2.00000
506 -2.5706 2.00000
507 -2.5654 2.00000
508 -2.5402 2.00000
509 -2.5331 2.00000
510 -2.5265 2.00000
511 -2.5225 2.00000
512 -2.5036 2.00000
513 -2.4950 2.00000
514 -2.4830 2.00000
515 -2.4704 2.00000
516 -2.4569 2.00000
517 -2.4448 2.00000
518 -2.4224 2.00000
519 -2.4122 2.00000
520 -2.4072 2.00000
521 -2.3957 2.00000
522 -2.3880 2.00000
523 -2.3761 2.00000
524 -2.3676 2.00000
525 -2.3531 2.00000
526 -2.3445 2.00000
527 -2.3357 2.00000
528 -2.3286 2.00000
529 -2.3088 2.00000
530 -2.3009 2.00000
531 -2.2918 2.00000
532 -2.2779 2.00000
533 -2.2669 2.00000
534 -2.2480 2.00000
535 -2.2405 2.00000
536 -2.2233 2.00000
537 -2.2200 2.00000
538 -2.2101 2.00000
539 -2.1978 2.00000
540 -2.1935 2.00000
541 -2.1782 2.00000
542 -2.1663 2.00000
543 -2.1444 2.00000
544 -2.1358 2.00000
545 -2.1152 2.00000
546 -2.1093 2.00000
547 -2.0971 2.00000
548 -2.0847 2.00000
549 -2.0655 2.00000
550 -2.0510 2.00000
551 -2.0447 2.00000
552 -2.0288 2.00000
553 -2.0204 2.00000
554 -2.0042 2.00000
555 -1.9894 2.00000
556 -1.9647 2.00000
557 -1.9512 2.00000
558 -1.9353 2.00000
559 -1.9153 2.00000
560 -1.9065 2.00000
561 -1.8900 2.00000
562 -1.8689 2.00000
563 -1.8484 2.00000
564 -1.8350 2.00000
565 -1.8119 2.00000
566 -1.8037 2.00000
567 -1.7771 2.00000
568 -1.7715 2.00000
569 -1.7455 2.00000
570 -1.7287 2.00000
571 -1.6882 2.00000
572 -1.6831 2.00000
573 -1.6621 2.00000
574 -1.6496 2.00000
575 -1.6187 2.00000
576 -1.6091 2.00000
577 -1.5799 2.00000
578 -1.5620 2.00000
579 -1.5424 2.00000
580 -1.5339 2.00000
581 -1.5177 2.00000
582 -1.4801 2.00000
583 -1.4440 2.00000
584 -1.4222 2.00000
585 -1.4026 2.00000
586 -1.3718 2.00000
587 -1.3394 2.00000
588 -1.3238 2.00000
589 -1.3022 2.00000
590 -1.2590 2.00000
591 -1.2332 2.00000
592 -1.1933 2.00000
593 -1.1649 2.00000
594 -1.0918 2.00000
595 -1.0586 2.00000
596 -0.9699 2.00000
597 -0.8622 2.00000
598 -0.6261 2.00000
599 -0.1741 2.00000
600 0.2497 2.00063
601 0.6247 2.02183
602 0.6452 1.97754
603 1.7684 -0.00000
604 2.1132 -0.00000
605 2.4389 -0.00000
606 3.0953 -0.00000
607 3.1354 -0.00000
608 3.2756 -0.00000
609 3.4485 -0.00000
610 3.7446 -0.00000
611 3.8467 -0.00000
612 3.9139 -0.00000
613 3.9903 -0.00000
614 4.0101 -0.00000
615 4.0906 -0.00000
616 4.1435 -0.00000
617 4.1790 -0.00000
618 4.2750 -0.00000
619 4.2923 -0.00000
620 4.3245 -0.00000
621 4.3712 -0.00000
622 4.4166 -0.00000
623 4.4716 -0.00000
624 4.4759 -0.00000
625 4.5111 -0.00000
626 4.5231 -0.00000
627 4.5839 -0.00000
628 4.6244 -0.00000
629 4.6408 -0.00000
630 4.6546 -0.00000
631 4.6722 -0.00000
632 4.7005 -0.00000
633 4.7300 -0.00000
634 4.7405 -0.00000
635 4.7695 -0.00000
636 4.7958 -0.00000
637 4.8043 -0.00000
638 4.8363 -0.00000
639 4.8602 -0.00000
640 4.8766 -0.00000
641 4.9117 -0.00000
642 4.9270 -0.00000
643 4.9667 -0.00000
644 4.9893 -0.00000
645 5.0246 -0.00000
646 5.0326 -0.00000
647 5.0532 -0.00000
648 5.0626 -0.00000
649 5.1066 -0.00000
650 5.1321 -0.00000
651 5.1402 -0.00000
652 5.1533 -0.00000
653 5.1586 -0.00000
654 5.2035 -0.00000
655 5.2120 -0.00000
656 5.2310 -0.00000
657 5.2409 -0.00000
658 5.2771 -0.00000
659 5.2962 -0.00000
660 5.3152 -0.00000
661 5.3258 -0.00000
662 5.3354 -0.00000
663 5.3632 -0.00000
664 5.3887 -0.00000
665 5.4118 -0.00000
666 5.4251 -0.00000
667 5.4360 -0.00000
668 5.4461 -0.00000
669 5.4484 -0.00000
670 5.4762 -0.00000
671 5.5132 -0.00000
672 5.5191 -0.00000
673 5.5289 -0.00000
674 5.5577 -0.00000
675 5.5640 -0.00000
676 5.5919 -0.00000
677 5.6063 -0.00000
678 5.6335 -0.00000
679 5.6371 -0.00000
680 5.6588 -0.00000
681 5.6715 -0.00000
682 5.6779 -0.00000
683 5.7099 -0.00000
684 5.7129 -0.00000
685 5.7268 -0.00000
686 5.7430 -0.00000
687 5.7582 -0.00000
688 5.7695 -0.00000
689 5.8023 -0.00000
690 5.8067 -0.00000
691 5.8316 -0.00000
692 5.8415 -0.00000
693 5.8540 -0.00000
694 5.8725 -0.00000
695 5.8804 -0.00000
696 5.9025 -0.00000
697 5.9138 -0.00000
698 5.9376 -0.00000
699 5.9517 -0.00000
700 5.9545 -0.00000
701 5.9608 -0.00000
702 6.0021 -0.00000
703 6.0152 -0.00000
704 6.0301 -0.00000
705 6.0494 -0.00000
706 6.0557 -0.00000
707 6.0628 -0.00000
708 6.0877 -0.00000
709 6.0942 -0.00000
710 6.1012 -0.00000
711 6.1249 -0.00000
712 6.1375 0.00000
713 6.1514 0.00000
714 6.1706 0.00000
715 6.1774 0.00000
716 6.1970 0.00000
717 6.2000 0.00000
718 6.2160 0.00000
719 6.2304 0.00000
720 6.2626 0.00000
721 6.2643 0.00000
722 6.2811 0.00000
723 6.3016 0.00000
724 6.3034 0.00000
725 6.3212 0.00000
726 6.3459 0.00000
727 6.3590 0.00000
728 6.3677 0.00000
729 6.3784 0.00000
730 6.3868 0.00000
731 6.4135 0.00000
732 6.4264 0.00000
733 6.4429 0.00000
734 6.4530 0.00000
735 6.4633 0.00000
736 6.4810 0.00000
737 6.4929 0.00000
738 6.5009 0.00000
739 6.5169 0.00000
740 6.5393 0.00000
741 6.5464 0.00000
742 6.5597 0.00000
743 6.5789 0.00000
744 6.5930 0.00000
745 6.6161 0.00000
746 6.6209 0.00000
747 6.6273 0.00000
748 6.6354 0.00000
749 6.6531 0.00000
750 6.6776 0.00000
751 6.6788 0.00000
752 6.6976 0.00000
753 6.7082 0.00000
754 6.7291 0.00000
755 6.7408 0.00000
756 6.7503 0.00000
757 6.7704 0.00000
758 6.7824 0.00000
759 6.8001 0.00000
760 6.8108 0.00000
761 6.8157 0.00000
762 6.8402 0.00000
763 6.8506 0.00000
764 6.8627 0.00000
765 6.8719 0.00000
766 6.8777 0.00000
767 6.8999 0.00000
768 6.9073 0.00000
769 6.9378 0.00000
770 6.9485 0.00000
771 6.9633 0.00000
772 6.9722 0.00000
773 6.9775 0.00000
774 6.9955 0.00000
775 7.0159 0.00000
776 7.0229 0.00000
777 7.0398 0.00000
778 7.0496 0.00000
779 7.0661 0.00000
780 7.0885 0.00000
781 7.0903 0.00000
782 7.1107 0.00000
783 7.1161 0.00000
784 7.1425 0.00000
785 7.1444 0.00000
786 7.1520 0.00000
787 7.1607 0.00000
788 7.1906 0.00000
789 7.1962 0.00000
790 7.2002 0.00000
791 7.2096 0.00000
792 7.2365 0.00000
793 7.2460 0.00000
794 7.2471 0.00000
795 7.2697 0.00000
796 7.2888 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.480 -3.324 0.122 -0.985 -1.052 -0.050 0.386 0.453
-3.324 1.622 -0.110 0.559 0.851 0.039 -0.208 -0.330
0.122 -0.110 3.290 0.097 -0.266 -0.839 -0.019 0.060
-0.985 0.559 0.097 3.620 0.604 -0.019 -0.934 -0.296
-1.052 0.851 -0.266 0.604 4.399 0.059 -0.291 -1.326
-0.050 0.039 -0.839 -0.019 0.059 0.223 0.003 -0.012
0.386 -0.208 -0.019 -0.934 -0.291 0.003 0.257 0.123
0.453 -0.330 0.060 -0.296 -1.326 -0.012 0.123 0.418
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5225.08239 -8296.27606 -4995.26583 649.84368 -1718.80219 951.51662
Hartree 12984.75964 10485.39279 12477.27350 416.62017 -1721.46871 480.35205
E(xc) -4966.58954 -4968.23255 -4965.30952 1.45642 0.59772 1.24298
Local -22712.99579-17186.90048-22356.38032 -1032.73595 3492.73791 -1360.46516
n-local -578.27877 -581.43744 -542.76113 -12.36049 -3.79155 5.68567
augment 254.68204 256.66009 245.94252 0.64781 -2.24163 -4.70661
Kinetic 19036.17931 19118.84702 18897.71947 -19.99860 -37.08820 -92.43684
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.6886176 -162.3097466 -229.1444302 3.4730310 9.9433437 -18.8112911
in kB -62.7917502 -51.5543747 -72.7830463 1.1031373 3.1583000 -5.9750223
external PRESSURE = -62.3763904 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.128E+03 -.238E+02 -.336E+02 0.133E+03 0.229E+02 0.286E+02 -.448E+01 0.910E+00 0.505E+01 -.406E-03 -.166E-03 0.142E-03
0.744E+02 0.488E+01 0.114E+02 -.754E+02 -.670E+00 -.105E+02 0.109E+01 -.422E+01 -.916E+00 0.780E-03 -.108E-02 0.223E-03
-.459E+02 0.480E+02 -.163E+02 0.488E+02 -.493E+02 0.214E+02 -.292E+01 0.129E+01 -.506E+01 -.168E-03 -.883E-03 0.316E-03
0.638E+02 -.203E+02 0.543E+02 -.604E+02 0.245E+02 -.494E+02 -.341E+01 -.421E+01 -.495E+01 -.216E-03 0.539E-04 0.589E-03
-.411E+02 -.173E+02 0.249E+02 0.416E+02 0.171E+02 -.266E+02 -.453E+00 0.169E+00 0.170E+01 -.736E-03 0.181E-04 -.448E-03
0.727E+02 -.297E+01 -.105E+03 -.756E+02 0.464E+01 0.110E+03 0.291E+01 -.167E+01 -.538E+01 0.479E-03 -.467E-04 0.207E-03
0.388E+02 -.613E+02 -.820E+02 -.365E+02 0.605E+02 0.794E+02 -.229E+01 0.808E+00 0.261E+01 0.177E-02 -.352E-03 -.416E-03
0.180E+01 -.753E+02 -.130E+01 0.272E+01 0.750E+02 -.914E+00 -.453E+01 0.280E+00 0.222E+01 -.117E-02 0.112E-03 -.143E-03
-.955E+02 -.177E+02 0.208E+02 0.102E+03 0.230E+02 -.221E+02 -.603E+01 -.523E+01 0.127E+01 0.571E-03 0.913E-03 -.374E-03
0.153E+02 -.344E+02 -.455E+02 -.168E+02 0.309E+02 0.478E+02 0.150E+01 0.353E+01 -.227E+01 0.147E-03 0.125E-04 0.954E-05
-.459E+02 0.124E+02 0.606E+02 0.474E+02 -.135E+02 -.625E+02 -.148E+01 0.111E+01 0.194E+01 0.827E-03 -.105E-03 -.986E-03
0.858E+02 -.846E+02 -.151E+02 -.883E+02 0.904E+02 0.155E+02 0.244E+01 -.576E+01 -.413E+00 -.143E-02 -.225E-03 0.701E-03
-.554E+02 -.963E+02 -.126E+02 0.561E+02 0.989E+02 0.117E+02 -.735E+00 -.265E+01 0.914E+00 -.896E-04 -.696E-03 -.339E-03
0.279E+02 0.112E+01 -.555E+02 -.324E+02 -.145E+01 0.605E+02 0.450E+01 0.342E+00 -.501E+01 0.170E-03 0.471E-04 -.562E-04
0.568E+02 -.314E+02 0.659E+02 -.580E+02 0.338E+02 -.622E+02 0.122E+01 -.240E+01 -.368E+01 -.270E-03 0.285E-03 -.582E-05
-.658E+02 0.352E+02 0.187E+02 0.709E+02 -.410E+02 -.179E+02 -.516E+01 0.580E+01 -.847E+00 -.361E-03 -.140E-03 -.484E-03
-.595E+01 0.110E+03 0.149E+02 0.424E+01 -.120E+03 -.168E+02 0.173E+01 0.970E+01 0.186E+01 0.127E-02 0.541E-03 -.843E-03
-.448E+01 -.468E+02 -.330E+01 -.556E+01 0.473E+02 0.415E+01 0.101E+02 -.578E+00 -.862E+00 0.150E-02 -.109E-03 0.102E-02
0.310E+02 0.192E+02 0.108E+03 -.298E+02 -.191E+02 -.103E+03 -.119E+01 -.999E-01 -.415E+01 0.170E-03 -.109E-03 -.114E-02
-.186E+02 0.783E+02 0.288E+02 0.169E+02 -.709E+02 -.327E+02 0.174E+01 -.737E+01 0.390E+01 -.874E-03 0.115E-05 0.465E-04
0.104E+03 -.412E+02 0.376E+02 -.102E+03 0.397E+02 -.383E+02 -.134E+01 0.150E+01 0.636E+00 0.160E-03 -.215E-03 0.425E-03
-.495E+02 0.400E+02 -.792E+02 0.542E+02 -.428E+02 0.793E+02 -.471E+01 0.271E+01 -.995E-01 0.104E-02 -.143E-03 -.807E-03
0.700E+02 0.942E+02 -.871E+02 -.735E+02 -.957E+02 0.870E+02 0.356E+01 0.150E+01 0.161E+00 -.183E-02 -.877E-05 0.819E-03
0.545E+02 0.800E+01 -.186E+03 -.537E+02 -.692E+01 0.189E+03 -.757E+00 -.110E+01 -.287E+01 -.650E-03 -.754E-04 -.756E-03
-.837E+02 -.911E+01 -.907E+01 0.860E+02 0.110E+02 0.118E+02 -.225E+01 -.187E+01 -.269E+01 0.101E-02 0.172E-02 -.340E-03
0.233E+02 0.250E+02 0.719E+02 -.243E+02 -.177E+02 -.665E+02 0.969E+00 -.727E+01 -.544E+01 0.102E-02 -.122E-03 0.111E-03
-.933E+02 0.590E+01 0.705E+02 0.984E+02 -.361E+01 -.754E+02 -.516E+01 -.228E+01 0.488E+01 -.935E-03 0.116E-02 -.789E-03
-.893E+01 0.156E+02 0.880E+01 0.903E+01 -.136E+02 -.630E+01 -.121E+00 -.198E+01 -.251E+01 -.372E-02 0.695E-03 0.668E-05
0.248E+02 -.478E+02 -.899E+02 -.318E+02 0.516E+02 0.888E+02 0.708E+01 -.382E+01 0.110E+01 0.466E-03 0.857E-03 0.129E-02
0.158E+02 -.737E+02 -.660E+02 -.177E+02 0.748E+02 0.684E+02 0.195E+01 -.119E+01 -.247E+01 -.175E-03 0.212E-03 -.116E-04
-.498E+02 -.613E+02 0.344E+02 0.483E+02 0.732E+02 -.249E+02 0.154E+01 -.119E+02 -.948E+01 -.735E-03 0.124E-02 0.359E-03
0.845E+02 0.452E+02 0.721E+02 -.798E+02 -.454E+02 -.746E+02 -.472E+01 0.236E+00 0.242E+01 -.494E-03 -.347E-04 0.467E-04
-.527E+02 0.202E+01 0.284E+02 0.566E+02 -.510E+01 -.260E+02 -.389E+01 0.309E+01 -.232E+01 0.136E-02 0.404E-03 -.374E-03
0.159E+02 -.437E+02 -.213E+02 -.180E+02 0.492E+02 0.167E+02 0.212E+01 -.552E+01 0.453E+01 0.168E-02 -.135E-04 -.673E-05
-.285E+02 -.101E+03 -.665E+02 0.266E+02 0.987E+02 0.651E+02 0.188E+01 0.189E+01 0.144E+01 -.215E-02 -.775E-03 0.230E-03
0.400E+02 -.102E+03 -.454E+02 -.402E+02 0.109E+03 0.501E+02 0.247E+00 -.658E+01 -.469E+01 -.103E-02 0.192E-03 0.928E-03
0.108E+03 0.833E+02 0.812E+02 -.105E+03 -.888E+02 -.835E+02 -.315E+01 0.551E+01 0.227E+01 0.230E-03 0.101E-03 0.524E-03
0.243E+02 0.110E+03 0.211E+02 -.241E+02 -.110E+03 -.202E+02 -.161E+00 0.454E+00 -.913E+00 -.145E-02 -.830E-03 -.160E-06
-.506E+01 -.847E+02 -.719E+02 0.767E+01 0.850E+02 0.696E+02 -.261E+01 -.248E+00 0.233E+01 -.115E-02 0.180E-03 -.446E-03
0.941E+01 0.106E+03 0.560E+02 -.106E+02 -.109E+03 -.593E+02 0.119E+01 0.261E+01 0.329E+01 0.166E-02 -.121E-02 0.512E-03
0.205E+02 0.842E+01 0.132E+03 -.193E+02 -.861E+01 -.136E+03 -.138E+01 0.196E+00 0.381E+01 -.480E-02 -.370E-04 -.909E-03
-.153E+02 0.226E+02 0.424E+02 0.158E+02 -.218E+02 -.409E+02 -.534E+00 -.839E+00 -.149E+01 0.474E-03 -.500E-03 0.628E-03
0.203E+02 0.132E+03 0.337E+02 -.222E+02 -.133E+03 -.266E+02 0.185E+01 0.692E+00 -.707E+01 -.261E-02 -.321E-03 0.938E-04
0.867E+02 -.227E+02 -.103E+03 -.916E+02 0.186E+02 0.106E+03 0.495E+01 0.416E+01 -.272E+01 0.305E-03 0.848E-04 0.844E-03
0.850E+01 0.117E+02 -.154E+02 -.960E+01 -.128E+02 0.158E+02 0.110E+01 0.111E+01 -.363E+00 0.870E-03 0.186E-03 0.424E-03
-.197E+02 -.329E+02 0.110E+02 0.269E+02 0.353E+02 -.128E+02 -.714E+01 -.242E+01 0.182E+01 -.136E-02 -.580E-03 -.542E-03
-.535E+01 -.273E+02 -.842E+01 0.777E+01 0.235E+02 0.343E+01 -.243E+01 0.388E+01 0.499E+01 -.150E-03 0.159E-02 -.108E-03
0.514E+02 -.197E+02 0.609E+02 -.564E+02 0.167E+02 -.593E+02 0.500E+01 0.303E+01 -.155E+01 0.189E-02 0.349E-03 0.181E-03
-.529E+02 -.628E+02 -.170E+02 0.484E+02 0.651E+02 0.218E+02 0.458E+01 -.234E+01 -.476E+01 0.106E-03 -.195E-03 -.447E-03
0.270E+02 0.347E+02 0.453E+02 -.301E+02 -.353E+02 -.420E+02 0.304E+01 0.584E+00 -.335E+01 0.568E-03 0.120E-03 -.217E-03
0.829E+01 0.152E+02 0.606E+02 -.510E+01 -.151E+02 -.598E+02 -.319E+01 -.106E+00 -.817E+00 0.547E-03 0.338E-03 0.392E-04
-.191E+02 -.322E+02 -.219E+02 0.166E+02 0.276E+02 0.273E+02 0.245E+01 0.460E+01 -.542E+01 0.991E-03 0.607E-03 0.588E-03
-.736E+01 -.887E+02 -.317E+02 0.239E+01 0.860E+02 0.372E+02 0.497E+01 0.275E+01 -.547E+01 0.103E-02 0.801E-03 0.229E-04
-.300E+02 -.534E+02 -.800E+02 0.279E+02 0.470E+02 0.859E+02 0.208E+01 0.632E+01 -.595E+01 -.106E-02 -.178E-03 0.912E-04
-.934E+01 -.924E+01 -.132E+02 0.948E+01 0.486E+01 0.136E+02 -.151E+00 0.438E+01 -.414E+00 -.189E-02 -.896E-03 -.201E-03
-.640E+01 -.414E+02 0.776E+02 0.586E+01 0.458E+02 -.791E+02 0.554E+00 -.442E+01 0.153E+01 0.500E-03 -.273E-03 0.717E-03
-.493E+02 -.388E+02 -.617E+02 0.557E+02 0.431E+02 0.617E+02 -.643E+01 -.426E+01 -.117E-01 0.918E-03 -.165E-03 -.103E-02
-.192E+02 0.761E+02 -.584E+02 0.173E+02 -.826E+02 0.604E+02 0.192E+01 0.647E+01 -.197E+01 -.286E-03 -.416E-03 0.866E-03
-.845E+02 0.323E+02 0.961E+02 0.869E+02 -.308E+02 -.976E+02 -.247E+01 -.153E+01 0.150E+01 0.913E-03 -.677E-04 -.301E-03
-.189E+02 0.699E+02 0.490E+02 0.133E+02 -.672E+02 -.501E+02 0.567E+01 -.271E+01 0.114E+01 0.137E-02 0.103E-03 0.449E-03
-.518E+02 0.131E+03 0.210E+02 0.541E+02 -.135E+03 -.228E+02 -.226E+01 0.357E+01 0.180E+01 -.200E-04 0.854E-03 -.619E-03
-.680E+01 0.363E+02 -.100E+03 0.139E+01 -.369E+02 0.104E+03 0.541E+01 0.595E+00 -.338E+01 -.127E-02 -.298E-04 -.372E-03
-.126E+02 0.406E+02 0.114E+02 0.127E+02 -.360E+02 -.187E+02 -.109E+00 -.457E+01 0.733E+01 0.152E-02 0.209E-03 0.101E-03
0.121E+02 0.278E+02 -.160E+02 -.231E+01 -.281E+02 0.168E+02 -.975E+01 0.292E+00 -.830E+00 0.164E-02 0.954E-04 -.123E-02
0.513E+02 0.218E+02 0.162E+02 -.519E+02 -.223E+02 -.167E+02 0.582E+00 0.512E+00 0.453E+00 0.481E-03 -.169E-03 0.277E-03
0.157E+01 0.540E+02 0.869E+02 0.104E+01 -.563E+02 -.819E+02 -.262E+01 0.231E+01 -.502E+01 -.829E-03 0.138E-03 0.185E-03
-.752E+02 -.758E+00 -.794E+01 0.751E+02 0.968E+00 0.165E+01 0.116E+00 -.203E+00 0.629E+01 0.222E-02 -.574E-03 -.546E-04
0.132E+02 -.511E+02 0.180E+02 -.195E+02 0.529E+02 -.114E+02 0.631E+01 -.177E+01 -.664E+01 0.174E-02 -.464E-03 -.508E-04
-.455E+02 0.238E+02 -.445E+02 0.461E+02 -.278E+02 0.461E+02 -.619E+00 0.398E+01 -.156E+01 -.705E-03 -.706E-03 -.548E-03
-.517E+02 -.358E+02 0.681E+01 0.493E+02 0.325E+02 -.990E+01 0.240E+01 0.332E+01 0.308E+01 0.347E-03 -.419E-03 0.480E-03
-.731E+02 -.264E+02 -.836E+01 0.707E+02 0.234E+02 0.954E+01 0.238E+01 0.299E+01 -.117E+01 -.246E-03 -.335E-03 0.123E-03
0.576E+02 -.115E+02 0.525E+02 -.535E+02 0.121E+02 -.516E+02 -.405E+01 -.600E+00 -.925E+00 -.190E-04 -.909E-04 0.349E-03
0.163E+02 -.136E+01 0.238E+02 -.177E+02 -.352E+01 -.240E+02 0.141E+01 0.490E+01 0.223E+00 0.109E-04 -.178E-03 -.215E-03
0.213E+02 -.856E+02 -.259E+02 -.194E+02 0.821E+02 0.290E+02 -.182E+01 0.355E+01 -.312E+01 -.349E-03 0.195E-03 0.809E-04
-.297E+02 -.251E-01 0.153E+02 0.336E+02 0.633E+00 -.163E+02 -.389E+01 -.600E+00 0.977E+00 0.371E-03 0.365E-03 -.256E-03
0.799E+01 0.820E+01 0.280E+02 -.793E+01 -.468E+01 -.248E+02 -.668E-01 -.351E+01 -.319E+01 -.140E-03 0.350E-04 -.114E-03
-.193E+02 -.103E+03 -.429E+02 0.214E+02 0.985E+02 0.413E+02 -.206E+01 0.413E+01 0.162E+01 0.790E-04 -.126E-03 -.251E-04
0.296E+02 -.155E+03 -.125E+03 -.302E+02 0.160E+03 0.129E+03 0.628E+00 -.497E+01 -.482E+01 0.276E-03 -.304E-04 -.332E-03
0.906E+02 0.218E+02 0.770E+02 -.873E+02 -.228E+02 -.747E+02 -.330E+01 0.102E+01 -.229E+01 -.126E-03 0.118E-03 0.206E-03
0.573E+02 0.126E+02 0.566E+02 -.576E+02 -.750E+01 -.536E+02 0.352E+00 -.508E+01 -.302E+01 -.499E-04 0.254E-04 0.478E-05
-.911E+02 -.337E+01 0.506E+02 0.878E+02 0.109E+01 -.496E+02 0.334E+01 0.227E+01 -.904E+00 0.620E-03 0.438E-03 -.920E-04
-.368E+02 0.276E+02 0.947E+01 0.348E+02 -.306E+02 -.135E+02 0.199E+01 0.300E+01 0.398E+01 0.286E-03 0.318E-03 -.589E-03
0.466E+02 0.207E+02 -.569E+02 -.484E+02 -.239E+02 0.532E+02 0.177E+01 0.325E+01 0.362E+01 -.441E-03 -.283E-03 0.422E-03
0.106E+01 0.865E+02 -.572E+02 -.350E+00 -.821E+02 0.587E+02 -.710E+00 -.437E+01 -.146E+01 -.399E-03 -.108E-03 0.352E-04
0.139E+02 -.263E+02 0.262E+02 -.154E+02 0.296E+02 -.315E+02 0.155E+01 -.330E+01 0.536E+01 -.620E-04 -.588E-04 0.704E-04
-.762E+02 -.116E+01 0.321E+02 0.716E+02 0.108E+01 -.300E+02 0.459E+01 0.704E-01 -.209E+01 -.107E-04 0.459E-03 -.310E-03
-.325E+02 -.111E+03 0.188E+02 0.307E+02 0.107E+03 -.178E+02 0.174E+01 0.441E+01 -.101E+01 -.222E-03 0.524E-03 0.376E-03
0.507E+02 -.327E+02 -.115E+03 -.510E+02 0.314E+02 0.113E+03 0.341E+00 0.136E+01 0.179E+01 0.444E-04 0.585E-03 0.518E-04
0.134E+02 -.867E+00 0.182E+02 -.151E+02 0.293E+01 -.214E+02 0.173E+01 -.205E+01 0.321E+01 -.769E-05 -.901E-03 0.144E-03
0.352E+02 -.853E+02 -.347E+02 -.329E+02 0.817E+02 0.301E+02 -.231E+01 0.362E+01 0.456E+01 -.243E-03 0.698E-05 0.445E-04
0.458E+02 0.261E+02 0.165E+01 -.498E+02 -.241E+02 -.976E-01 0.402E+01 -.194E+01 -.154E+01 0.336E-04 0.147E-04 -.231E-03
0.559E+02 0.110E+03 0.492E+01 -.509E+02 -.109E+03 -.340E+01 -.496E+01 -.547E+00 -.152E+01 -.549E-03 -.319E-03 0.111E-03
0.744E+02 -.614E+02 -.109E+03 -.781E+02 0.659E+02 0.117E+03 0.370E+01 -.454E+01 -.732E+01 -.402E-03 -.227E-03 -.191E-03
-.484E+01 0.201E+02 0.605E+02 0.447E+01 -.165E+02 -.575E+02 0.346E+00 -.361E+01 -.300E+01 0.993E-03 0.272E-03 0.131E-03
-.350E+02 -.265E+01 0.905E+01 0.329E+02 0.463E+01 -.513E+01 0.206E+01 -.198E+01 -.391E+01 0.349E-03 0.859E-04 -.234E-03
0.645E+01 -.573E+02 0.207E+02 -.769E+01 0.538E+02 -.231E+02 0.125E+01 0.356E+01 0.251E+01 0.105E-02 0.341E-03 0.487E-04
-.279E+02 -.960E+01 -.683E+01 0.262E+02 0.616E+01 0.112E+02 0.168E+01 0.343E+01 -.440E+01 0.679E-03 0.866E-03 0.171E-03
0.102E+02 -.376E+02 0.274E+02 -.520E+01 0.386E+02 -.283E+02 -.500E+01 -.102E+01 0.917E+00 0.855E-03 -.275E-03 -.127E-04
-.449E+02 -.141E+02 0.353E+02 0.472E+02 0.180E+02 -.392E+02 -.226E+01 -.391E+01 0.393E+01 -.686E-04 -.551E-04 0.607E-04
-.181E+02 -.324E+02 -.840E+01 0.202E+02 0.341E+02 0.114E+02 -.212E+01 -.169E+01 -.300E+01 0.319E-03 0.573E-03 0.359E-03
-.120E+03 0.152E+02 -.132E+03 0.123E+03 -.186E+02 0.137E+03 -.272E+01 0.345E+01 -.494E+01 -.184E-03 0.724E-03 -.938E-03
-.411E+02 0.831E+02 0.693E+02 0.434E+02 -.817E+02 -.662E+02 -.234E+01 -.143E+01 -.310E+01 0.331E-03 0.366E-03 -.114E-03
-.121E+00 0.242E+02 -.601E+02 0.420E+01 -.242E+02 0.619E+02 -.407E+01 -.675E-01 -.181E+01 0.169E-03 -.215E-03 -.341E-03
0.858E+00 -.322E+02 0.738E+02 -.153E+01 0.298E+02 -.732E+02 0.657E+00 0.237E+01 -.582E+00 0.621E-03 0.521E-04 0.172E-03
0.194E+02 0.158E+02 -.440E+02 -.227E+02 -.146E+02 0.398E+02 0.329E+01 -.116E+01 0.420E+01 0.395E-03 -.279E-03 -.597E-03
-.783E+02 0.289E+02 0.523E+00 0.740E+02 -.276E+02 -.540E+00 0.427E+01 -.121E+01 0.245E-01 0.489E-03 -.653E-03 -.927E-04
0.103E+01 -.190E+02 0.173E+02 -.282E+01 0.191E+02 -.189E+02 0.178E+01 -.148E+00 0.154E+01 -.691E-03 0.101E-03 -.629E-04
0.684E+02 -.104E+02 -.119E+03 -.665E+02 0.973E+01 0.117E+03 -.197E+01 0.626E+00 0.208E+01 0.172E-03 -.718E-04 -.223E-03
0.786E+02 0.207E+02 -.507E+02 -.760E+02 -.193E+02 0.488E+02 -.265E+01 -.143E+01 0.188E+01 0.996E-04 0.265E-03 -.207E-03
0.905E+02 0.152E+02 -.190E+02 -.878E+02 -.140E+02 0.169E+02 -.277E+01 -.122E+01 0.214E+01 -.282E-03 0.329E-03 -.153E-03
0.188E+02 -.755E+01 0.890E+02 -.191E+02 0.662E+01 -.866E+02 0.248E+00 0.932E+00 -.239E+01 0.697E-03 0.811E-04 -.287E-03
0.193E+02 -.335E+02 0.345E+00 -.195E+02 0.317E+02 -.971E+00 0.197E+00 0.172E+01 0.630E+00 0.821E-04 -.166E-03 -.103E-03
-.296E+01 0.372E+02 0.171E+02 0.107E+01 -.337E+02 -.156E+02 0.191E+01 -.351E+01 -.150E+01 -.230E-03 0.376E-04 -.230E-03
0.436E+02 -.165E+02 0.664E+02 -.432E+02 0.154E+02 -.692E+02 -.367E+00 0.107E+01 0.281E+01 -.213E-02 -.577E-04 -.513E-03
0.230E+02 0.701E+01 0.460E+02 -.216E+02 -.450E+01 -.472E+02 -.137E+01 -.251E+01 0.114E+01 0.915E-03 -.664E-04 0.330E-03
0.216E+02 -.293E+02 -.170E+02 -.217E+02 0.304E+02 0.162E+02 0.130E+00 -.110E+01 0.758E+00 -.147E-03 0.922E-04 -.359E-03
-.543E+02 -.563E+01 -.625E+02 0.534E+02 0.611E+01 0.595E+02 0.922E+00 -.486E+00 0.302E+01 0.798E-03 0.607E-04 0.226E-03
-.493E+02 -.315E+02 -.476E+02 0.487E+02 0.333E+02 0.452E+02 0.677E+00 -.176E+01 0.246E+01 0.546E-03 0.540E-03 0.330E-03
-.207E+02 -.276E+02 0.808E+02 0.198E+02 0.260E+02 -.786E+02 0.942E+00 0.154E+01 -.223E+01 0.929E-04 -.444E-04 0.412E-03
0.609E+02 0.387E+02 -.205E+02 -.591E+02 -.377E+02 0.208E+02 -.180E+01 -.104E+01 -.310E+00 0.349E-04 -.323E-03 0.174E-03
0.493E+02 -.354E+01 0.545E+02 -.474E+02 0.330E+01 -.531E+02 -.187E+01 0.239E+00 -.149E+01 0.130E-03 -.497E-03 -.108E-04
-.108E+02 0.154E+02 -.217E+01 0.940E+01 -.151E+02 0.379E+01 0.144E+01 -.278E+00 -.164E+01 0.554E-03 -.591E-04 -.208E-03
0.208E+01 -.295E+02 -.310E+02 -.269E+01 0.293E+02 0.284E+02 0.609E+00 0.148E+00 0.260E+01 0.104E-02 -.649E-03 -.294E-03
0.137E+02 0.114E+03 0.545E+01 -.138E+02 -.113E+03 -.608E+01 0.578E-01 -.195E+01 0.632E+00 0.191E-03 0.422E-03 -.193E-03
-.114E+02 -.857E+02 -.603E+02 0.108E+02 0.835E+02 0.585E+02 0.638E+00 0.221E+01 0.181E+01 -.280E-03 0.830E-04 0.281E-03
-.499E+02 -.148E+02 -.430E+02 0.475E+02 0.132E+02 0.414E+02 0.244E+01 0.159E+01 0.166E+01 0.142E-02 0.540E-03 -.460E-03
0.379E+02 -.360E+02 0.483E+01 -.357E+02 0.352E+02 -.485E+01 -.227E+01 0.822E+00 0.168E-01 0.438E-03 0.458E-03 -.181E-03
0.600E+02 0.239E+02 0.114E+03 -.649E+02 -.244E+02 -.120E+03 0.484E+01 0.540E+00 0.570E+01 0.336E-03 -.513E-03 0.134E-02
0.110E+03 0.307E+01 0.214E+03 -.119E+03 -.787E+01 -.230E+03 0.848E+01 0.481E+01 0.156E+02 -.701E-03 -.874E-03 0.300E-03
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.140E+02 0.131E+02 0.183E+02 -.162E-03 0.474E-03 0.755E-03
0.309E+02 -.577E+02 0.904E+02 -.288E+02 0.625E+02 -.996E+02 -.216E+01 -.485E+01 0.918E+01 0.875E-03 0.811E-03 -.612E-03
-.494E+02 -.296E+02 -.881E+02 0.561E+02 0.333E+02 0.946E+02 -.675E+01 -.361E+01 -.649E+01 0.438E-03 0.121E-03 -.212E-04
0.322E+02 -.859E+00 -.208E+02 -.295E+02 -.569E+01 0.626E+01 -.270E+01 0.655E+01 0.145E+02 -.919E-03 0.129E-03 -.163E-03
0.576E+02 -.152E+02 -.937E+02 -.628E+02 0.980E+01 0.999E+02 0.524E+01 0.542E+01 -.622E+01 0.598E-03 -.205E-03 -.740E-03
0.508E+01 -.627E+02 -.630E+02 0.248E+01 0.607E+02 0.666E+02 -.755E+01 0.200E+01 -.355E+01 -.175E-03 0.218E-03 -.118E-03
0.568E+02 -.133E+03 -.127E+03 -.578E+02 0.139E+03 0.138E+03 0.940E+00 -.592E+01 -.107E+02 0.325E-03 0.293E-03 0.217E-03
-.719E+02 -.151E+03 -.735E+00 0.608E+02 0.171E+03 -.695E+00 0.111E+02 -.198E+02 0.142E+01 0.646E-06 0.646E-03 0.364E-03
-.833E+02 0.491E+02 0.344E+02 0.754E+02 -.432E+02 -.424E+02 0.793E+01 -.587E+01 0.803E+01 0.335E-04 -.119E-03 0.623E-04
0.528E+02 -.728E+02 -.203E+02 -.512E+02 0.712E+02 0.193E+02 -.160E+01 0.156E+01 0.105E+01 -.369E-03 -.216E-03 0.446E-03
0.977E+02 -.101E+03 -.552E+02 -.949E+02 0.102E+03 0.576E+02 -.285E+01 -.137E+01 -.238E+01 0.512E-04 -.206E-03 -.234E-03
-.366E+02 0.618E+02 0.394E+02 0.470E+02 -.842E+02 -.380E+02 -.104E+02 0.224E+02 -.136E+01 0.485E-03 -.120E-02 0.783E-03
-.561E+02 -.156E+03 -.603E+02 0.689E+02 0.161E+03 0.636E+02 -.128E+02 -.452E+01 -.329E+01 0.426E-03 -.421E-03 -.765E-04
0.128E+03 -.257E+02 0.139E+03 -.134E+03 0.246E+02 -.157E+03 0.614E+01 0.116E+01 0.184E+02 0.681E-04 0.381E-03 -.399E-03
0.132E+03 -.124E+03 -.283E+02 -.153E+03 0.113E+03 0.883E+01 0.212E+02 0.103E+02 0.195E+02 0.305E-03 -.321E-03 -.109E-02
-.775E+01 0.164E+03 0.122E+03 0.790E+01 -.176E+03 -.127E+03 -.155E+00 0.117E+02 0.522E+01 0.670E-04 0.635E-03 -.792E-03
-.105E+03 -.499E+02 0.165E+02 0.108E+03 0.510E+02 -.261E+02 -.330E+01 -.109E+01 0.957E+01 0.122E-02 -.542E-03 0.597E-03
0.727E+02 -.277E+02 0.997E+02 -.804E+02 0.309E+02 -.962E+02 0.767E+01 -.312E+01 -.356E+01 0.212E-03 -.567E-03 -.650E-03
-.133E+02 0.599E+01 0.184E+03 0.345E+01 -.276E+01 -.186E+03 0.996E+01 -.323E+01 0.199E+01 -.419E-02 -.289E-03 -.473E-03
0.211E+02 0.942E+00 0.146E+03 -.230E+02 -.169E+01 -.152E+03 0.195E+01 0.740E+00 0.567E+01 0.103E-02 -.428E-03 -.492E-03
-.180E+02 0.173E+03 -.844E+02 0.210E+02 -.176E+03 0.991E+02 -.295E+01 0.305E+01 -.147E+02 0.745E-03 0.377E-03 -.975E-03
-.604E+02 0.196E+03 -.583E+02 0.630E+02 -.208E+03 0.688E+02 -.258E+01 0.117E+02 -.106E+02 0.126E-02 -.276E-03 0.120E-02
0.272E+02 0.154E+03 -.614E+02 -.427E+02 -.161E+03 0.675E+02 0.155E+02 0.655E+01 -.607E+01 0.234E-03 -.363E-03 -.426E-03
0.960E+02 0.206E+02 -.960E+02 -.102E+03 -.193E+02 0.898E+02 0.598E+01 -.123E+01 0.617E+01 -.121E-02 0.156E-03 0.139E-03
0.995E+02 0.118E+03 -.445E+02 -.105E+03 -.129E+03 0.396E+02 0.543E+01 0.105E+02 0.480E+01 -.151E-02 0.456E-03 0.355E-03
-.110E+03 0.843E+02 -.286E+02 0.108E+03 -.886E+02 0.319E+02 0.189E+01 0.430E+01 -.334E+01 0.954E-03 -.754E-03 0.999E-05
-.500E+02 -.338E+02 0.794E+02 0.440E+02 0.365E+02 -.770E+02 0.597E+01 -.265E+01 -.242E+01 -.768E-03 0.256E-02 -.396E-03
-.536E+02 0.125E+03 0.169E+03 0.523E+02 -.137E+03 -.180E+03 0.130E+01 0.118E+02 0.107E+02 -.103E-02 0.454E-03 -.930E-03
-.774E+02 0.440E+02 0.171E+02 0.778E+02 -.506E+02 -.160E+02 -.376E+00 0.654E+01 -.105E+01 -.194E-02 0.225E-02 0.469E-03
0.359E+02 0.708E+02 0.507E+02 -.340E+02 -.791E+02 -.535E+02 -.192E+01 0.823E+01 0.288E+01 -.267E-02 -.929E-03 -.110E-02
0.782E+01 -.843E+01 -.280E+02 -.103E+02 0.116E+02 0.321E+02 0.251E+01 -.314E+01 -.415E+01 -.227E-02 0.396E-03 -.206E-04
-.537E+02 -.363E+02 0.235E+02 0.643E+02 0.313E+02 -.385E+02 -.106E+02 0.496E+01 0.150E+02 -.690E-03 0.211E-02 0.162E-02
0.153E+02 -.499E+02 -.553E+02 -.214E+02 0.538E+02 0.567E+02 0.614E+01 -.394E+01 -.138E+01 -.192E-02 0.898E-03 -.249E-03
0.490E+02 -.191E+03 -.752E+02 -.630E+02 0.214E+03 0.968E+02 0.140E+02 -.229E+02 -.216E+02 -.142E-03 0.962E-03 0.367E-03
-.622E+02 -.558E+02 -.213E+02 0.708E+02 0.480E+02 0.226E+02 -.859E+01 0.778E+01 -.130E+01 -.557E-03 0.932E-03 0.481E-03
-.178E+02 0.160E+02 -.134E+03 0.345E+02 -.218E+02 0.120E+03 -.167E+02 0.580E+01 0.143E+02 -.320E-03 -.301E-03 -.677E-03
0.119E+03 0.158E+03 0.117E+03 -.128E+03 -.172E+03 -.129E+03 0.860E+01 0.132E+02 0.122E+02 0.344E-03 0.351E-04 0.211E-03
-.660E+02 -.394E+02 -.831E+01 0.656E+02 0.376E+02 0.424E+01 0.455E+00 0.175E+01 0.407E+01 -.488E-03 -.515E-03 -.583E-04
0.567E+02 0.175E+02 0.399E+02 -.590E+02 -.164E+02 -.393E+02 0.224E+01 -.109E+01 -.628E+00 0.551E-04 -.293E-03 0.188E-03
-.602E+02 -.277E+02 -.340E+02 0.601E+02 0.270E+02 0.332E+02 0.125E+00 0.639E+00 0.795E+00 -.385E-03 -.525E-03 -.111E-03
0.133E+02 -.118E+03 -.711E+02 -.193E+02 0.120E+03 0.739E+02 0.594E+01 -.231E+01 -.280E+01 -.394E-03 -.723E-03 0.349E-03
-.462E+01 -.745E+02 -.352E+02 -.119E+01 0.701E+02 0.294E+02 0.581E+01 0.439E+01 0.572E+01 -.252E-04 0.521E-03 0.516E-03
-.861E+02 -.977E+02 -.364E+02 0.967E+02 0.915E+02 0.316E+02 -.106E+02 0.618E+01 0.485E+01 -.105E-02 0.641E-03 0.511E-03
0.546E+01 0.223E+03 -.689E+02 -.745E+01 -.214E+03 0.106E+03 0.200E+01 -.905E+01 -.370E+02 -.116E-03 -.777E-03 -.965E-04
-.706E+02 0.473E+02 -.544E+02 0.930E+02 -.422E+02 0.548E+02 -.224E+02 -.508E+01 -.384E+00 -.310E-03 -.102E-02 0.446E-03
-.182E+02 0.321E+03 0.151E+03 0.190E+02 -.349E+03 -.161E+03 -.705E+00 0.279E+02 0.101E+02 -.121E-03 0.474E-03 0.882E-03
0.167E+03 0.260E+02 0.616E+02 -.172E+03 -.403E+01 -.557E+02 0.554E+01 -.220E+02 -.596E+01 -.732E-03 0.188E-03 -.152E-03
-.136E+03 0.339E+02 0.681E+00 0.156E+03 -.152E+02 0.256E+02 -.201E+02 -.188E+02 -.263E+02 0.123E-03 -.591E-03 0.433E-03
0.669E+02 -.180E+03 -.562E+02 -.715E+02 0.201E+03 0.513E+02 0.461E+01 -.204E+02 0.497E+01 -.901E-03 -.234E-03 -.398E-03
-.348E+02 0.861E+02 0.575E+02 0.412E+02 -.904E+02 -.574E+02 -.640E+01 0.436E+01 -.163E+00 0.835E-03 -.125E-02 0.417E-03
-.804E+02 -.124E+02 0.389E+02 0.882E+02 0.168E+02 -.372E+02 -.782E+01 -.442E+01 -.171E+01 0.303E-03 0.528E-03 -.176E-03
0.442E+02 0.274E+02 0.918E+02 -.502E+02 -.304E+02 -.101E+03 0.594E+01 0.299E+01 0.929E+01 0.900E-03 -.335E-03 -.353E-03
0.955E+02 0.455E+02 0.595E+02 -.955E+02 -.471E+02 -.403E+02 0.623E-01 0.161E+01 -.192E+02 -.287E-02 -.441E-03 -.632E-03
0.358E+02 0.129E+03 0.618E+02 -.366E+02 -.131E+03 -.623E+02 0.797E+00 0.217E+01 0.407E+00 -.113E-02 -.160E-02 0.652E-03
0.169E+02 0.798E+02 0.565E+02 -.136E+02 -.698E+02 -.586E+02 -.325E+01 -.995E+01 0.206E+01 -.170E-02 0.732E-03 -.110E-02
0.103E+03 -.334E+02 -.772E+02 -.107E+03 0.303E+02 0.763E+02 0.423E+01 0.313E+01 0.894E+00 -.636E-03 -.974E-03 0.357E-03
-.572E+02 0.722E+02 0.326E+02 0.734E+02 -.706E+02 -.333E+02 -.162E+02 -.158E+01 0.660E+00 -.187E-02 -.872E-03 0.678E-03
0.102E+03 0.167E+02 -.128E+03 -.116E+03 -.213E+02 0.141E+03 0.134E+02 0.464E+01 -.131E+02 -.865E-03 0.532E-03 0.380E-03
-.223E+01 -.220E+02 -.463E+02 0.159E+01 0.242E+02 0.484E+02 0.646E+00 -.215E+01 -.209E+01 -.129E-02 -.353E-03 0.323E-03
0.511E+02 -.930E+02 -.399E+02 -.446E+02 0.935E+02 0.417E+02 -.653E+01 -.525E+00 -.175E+01 -.104E-02 0.277E-03 0.459E-04
0.151E+03 -.253E+02 -.460E+02 -.168E+03 0.267E+02 0.446E+02 0.167E+02 -.145E+01 0.147E+01 0.102E-02 0.960E-03 -.164E-02
-.128E+02 -.106E+03 -.107E+02 0.954E+01 0.104E+03 0.520E+01 0.326E+01 0.186E+01 0.549E+01 0.331E-03 0.122E-02 -.255E-03
-.809E+02 0.369E+02 0.119E+03 0.965E+02 -.440E+02 -.128E+03 -.156E+02 0.706E+01 0.901E+01 0.374E-03 -.424E-04 0.634E-03
0.386E+02 -.113E+03 0.488E+02 -.513E+02 0.121E+03 -.538E+02 0.127E+02 -.815E+01 0.500E+01 0.103E-02 0.121E-02 -.430E-03
0.569E+02 -.128E+03 -.115E+03 -.580E+02 0.137E+03 0.114E+03 0.113E+01 -.889E+01 0.491E+00 0.385E-03 -.815E-03 -.456E-03
-.222E+02 -.153E+03 0.585E+02 0.202E+02 0.161E+03 -.754E+02 0.203E+01 -.749E+01 0.169E+02 -.378E-04 0.111E-03 -.815E-03
0.247E+02 -.106E+03 -.767E+02 -.270E+02 0.115E+03 0.751E+02 0.228E+01 -.858E+01 0.166E+01 0.676E-03 0.212E-02 0.937E-03
-.546E+02 0.284E+02 -.187E+03 0.454E+02 -.182E+02 0.223E+03 0.934E+01 -.103E+02 -.357E+02 -.139E-02 0.325E-03 0.414E-03
0.280E+02 -.180E+02 -.517E+02 -.377E+02 0.187E+02 0.480E+02 0.968E+01 -.653E+00 0.360E+01 -.311E-03 -.269E-03 -.794E-03
-.485E+02 0.117E+03 -.312E+02 0.501E+02 -.119E+03 0.326E+02 -.168E+01 0.162E+01 -.146E+01 0.558E-03 -.166E-03 0.554E-03
-.456E+02 -.148E+02 -.194E+02 0.476E+02 0.242E+02 0.184E+02 -.207E+01 -.940E+01 0.956E+00 0.388E-03 -.697E-03 -.194E-03
0.213E+03 -.103E+03 -.133E+02 -.246E+03 0.944E+02 -.292E+01 0.334E+02 0.858E+01 0.162E+02 0.515E-03 0.619E-03 0.571E-03
-.169E+03 -.157E+03 -.417E+02 0.180E+03 0.189E+03 0.327E+02 -.105E+02 -.319E+02 0.908E+01 0.139E-03 0.663E-03 -.445E-03
-.101E+03 0.154E+03 -.591E+02 0.999E+02 -.168E+03 0.711E+02 0.949E+00 0.145E+02 -.120E+02 0.155E-02 0.187E-03 -.250E-03
-.281E+03 0.134E+03 0.107E+03 0.312E+03 -.142E+03 -.874E+02 -.315E+02 0.753E+01 -.194E+02 -.155E-03 0.121E-02 -.993E-03
-.892E+02 0.889E+02 0.169E+02 0.901E+02 -.776E+02 -.125E+02 -.876E+00 -.113E+02 -.434E+01 0.967E-03 0.686E-03 0.582E-04
-.427E+02 -.271E+02 0.831E+02 0.395E+02 0.371E+02 -.883E+02 0.321E+01 -.101E+02 0.530E+01 -.495E-03 -.925E-03 -.678E-04
0.304E+02 0.156E+03 -.637E+02 -.318E+02 -.182E+03 0.859E+02 0.144E+01 0.259E+02 -.222E+02 -.576E-03 -.117E-02 0.340E-03
-.327E+02 0.157E+03 0.371E+02 0.338E+02 -.166E+03 -.371E+02 -.105E+01 0.822E+01 -.101E-01 0.341E-03 0.405E-03 0.410E-03
0.623E+01 0.697E+02 0.978E+02 -.637E+01 -.671E+02 -.999E+02 0.131E+00 -.258E+01 0.215E+01 0.103E-02 -.105E-02 0.577E-03
-.661E+02 0.309E+03 0.114E+03 0.735E+02 -.334E+03 -.122E+03 -.743E+01 0.250E+02 0.762E+01 0.430E-03 0.386E-03 0.878E-03
-.466E+02 -.273E+02 0.734E+02 0.518E+02 0.327E+02 -.769E+02 -.522E+01 -.537E+01 0.355E+01 0.115E-02 -.434E-03 0.223E-03
-.953E+02 -.148E+03 -.558E+01 0.976E+02 0.163E+03 -.105E+01 -.227E+01 -.153E+02 0.663E+01 0.378E-03 -.297E-03 0.492E-04
-.948E+02 -.178E+02 -.122E+03 0.101E+03 0.238E+02 0.131E+03 -.621E+01 -.600E+01 -.849E+01 0.423E-03 -.105E-02 -.597E-03
-.579E+02 -.378E+02 0.323E+02 0.660E+02 0.428E+02 -.440E+02 -.818E+01 -.509E+01 0.117E+02 0.110E-02 -.655E-03 -.940E-03
-.331E+02 0.418E+02 -.791E+02 0.334E+02 -.401E+02 0.821E+02 -.330E+00 -.172E+01 -.302E+01 0.880E-03 -.866E-03 -.171E-03
0.212E+02 -.855E+02 -.944E+02 -.178E+02 0.104E+03 0.903E+02 -.336E+01 -.182E+02 0.418E+01 0.519E-03 0.441E-03 0.518E-03
-.175E+02 -.180E+01 -.147E+02 0.176E+02 0.200E+01 0.179E+02 -.130E+00 -.212E+00 -.324E+01 -.311E-05 -.140E-03 0.148E-04
-.326E+02 0.684E+01 0.100E+02 0.346E+02 -.795E+01 -.122E+02 -.207E+01 0.112E+01 0.221E+01 -.251E-04 0.883E-05 0.130E-03
0.925E+01 -.329E+02 -.135E+02 -.981E+01 0.356E+02 0.150E+02 0.588E+00 -.271E+01 -.156E+01 0.383E-04 0.760E-04 0.936E-04
-.756E+01 -.123E+02 -.638E+02 0.868E+01 0.104E+02 0.690E+02 -.110E+01 0.194E+01 -.518E+01 0.150E-03 0.208E-05 0.162E-05
-.305E+02 0.653E+01 0.920E+00 0.336E+02 -.705E+01 -.825E+00 -.313E+01 0.521E+00 -.819E-01 0.101E-03 0.123E-03 0.890E-05
0.540E+02 -.298E+02 -.123E+02 -.593E+02 0.318E+02 0.122E+02 0.532E+01 -.199E+01 0.376E-01 0.275E-05 0.667E-06 -.113E-03
0.144E+02 0.227E+02 -.366E+02 -.142E+02 -.253E+02 0.380E+02 -.199E+00 0.255E+01 -.142E+01 -.110E-03 -.391E-04 -.355E-04
0.274E+02 -.828E+01 -.376E+02 -.293E+02 0.100E+02 0.391E+02 0.191E+01 -.174E+01 -.153E+01 0.672E-04 -.355E-05 -.109E-03
-.195E+02 0.138E+02 0.325E+02 0.214E+02 -.151E+02 -.344E+02 -.189E+01 0.132E+01 0.192E+01 -.723E-04 0.346E-03 -.100E-03
-.575E+01 0.320E+02 0.234E+02 0.731E+01 -.343E+02 -.250E+02 -.158E+01 0.225E+01 0.158E+01 -.165E-03 -.550E-04 0.124E-03
0.854E+01 -.361E+02 -.270E+02 -.878E+01 0.379E+02 0.286E+02 0.266E+00 -.188E+01 -.159E+01 -.174E-03 -.704E-06 -.541E-04
-.219E+02 -.188E+02 0.176E+02 0.245E+02 0.196E+02 -.192E+02 -.266E+01 -.831E+00 0.167E+01 -.124E-03 -.879E-04 0.586E-04
0.118E+00 -.356E+01 0.164E+02 -.138E+01 0.323E+01 -.173E+02 0.126E+01 0.321E+00 0.867E+00 -.426E-04 -.103E-03 0.635E-05
-.155E+02 0.167E+02 -.304E+02 0.160E+02 -.192E+02 0.321E+02 -.461E+00 0.254E+01 -.171E+01 0.235E-05 0.116E-04 0.550E-04
-.201E+02 0.671E+01 -.250E+02 0.221E+02 -.823E+01 0.268E+02 -.195E+01 0.153E+01 -.179E+01 0.957E-04 -.422E-04 0.133E-03
-.265E+02 0.110E+00 -.256E+02 0.291E+02 0.289E+00 0.274E+02 -.255E+01 -.405E+00 -.174E+01 0.154E-03 -.918E-04 0.415E-04
-.355E+02 -.355E+02 -.526E+02 0.375E+02 0.389E+02 0.567E+02 -.200E+01 -.345E+01 -.403E+01 0.123E-04 0.131E-04 -.114E-03
-.522E+02 0.195E+02 0.457E+00 0.564E+02 -.226E+02 -.232E+01 -.424E+01 0.308E+01 0.187E+01 0.438E-04 0.941E-04 -.917E-04
0.138E+02 -.187E+01 -.155E+01 -.162E+02 0.358E+01 0.122E+01 0.240E+01 -.172E+01 0.319E+00 0.247E-03 -.125E-03 0.570E-06
0.202E+02 0.143E+01 -.139E+02 -.226E+02 -.217E+01 0.158E+02 0.236E+01 0.734E+00 -.189E+01 0.406E-03 0.669E-04 -.631E-04
0.198E+02 0.302E+02 -.179E+01 -.209E+02 -.328E+02 0.303E+01 0.114E+01 0.255E+01 -.124E+01 0.474E-04 -.102E-03 0.263E-04
0.598E+01 -.266E+02 -.357E+02 -.811E+01 0.288E+02 0.399E+02 0.214E+01 -.215E+01 -.428E+01 0.824E-04 -.640E-04 0.716E-04
-.580E+02 -.126E+02 -.239E+02 0.627E+02 0.136E+02 0.262E+02 -.468E+01 -.105E+01 -.228E+01 0.290E-05 -.430E-04 0.602E-04
0.348E+02 0.178E+02 -.100E+02 -.386E+02 -.200E+02 0.130E+02 0.377E+01 0.224E+01 -.302E+01 -.955E-04 -.722E-04 0.736E-04
0.213E+02 -.403E+02 0.350E+02 -.233E+02 0.444E+02 -.377E+02 0.196E+01 -.406E+01 0.269E+01 -.132E-03 0.409E-04 -.449E-04
-.980E+00 -.736E+02 -.113E+02 0.188E+01 0.788E+02 0.119E+02 -.894E+00 -.515E+01 -.617E+00 -.873E-05 0.124E-03 0.178E-04
0.278E+02 -.305E+02 0.132E+02 -.317E+02 0.337E+02 -.149E+02 0.391E+01 -.320E+01 0.167E+01 0.101E-03 0.109E-03 -.103E-03
0.126E+02 0.520E+02 0.682E+01 -.143E+02 -.569E+02 -.622E+01 0.166E+01 0.492E+01 -.601E+00 0.884E-04 0.153E-03 0.193E-05
0.207E+02 -.559E+02 0.150E+02 -.234E+02 0.594E+02 -.178E+02 0.269E+01 -.353E+01 0.279E+01 -.405E-04 0.519E-04 -.267E-04
0.608E+02 0.177E+02 0.118E+02 -.660E+02 -.187E+02 -.111E+02 0.511E+01 0.970E+00 -.743E+00 0.933E-06 0.117E-04 0.159E-04
0.414E+02 0.230E+02 0.510E+02 -.442E+02 -.254E+02 -.545E+02 0.284E+01 0.240E+01 0.347E+01 -.561E-04 -.275E-04 0.322E-06
-.491E+02 0.971E+01 0.428E+02 0.530E+02 -.112E+02 -.461E+02 -.386E+01 0.151E+01 0.329E+01 -.798E-05 0.125E-03 0.946E-04
0.125E+02 -.236E+02 -.346E+02 -.153E+02 0.262E+02 0.381E+02 0.282E+01 -.267E+01 -.359E+01 0.183E-03 0.163E-03 -.186E-03
-.357E+02 -.739E+01 -.289E+02 0.408E+02 0.769E+01 0.301E+02 -.513E+01 -.310E+00 -.124E+01 -.114E-03 -.113E-03 0.201E-03
0.171E+02 0.660E+02 -.329E+02 -.191E+02 -.702E+02 0.354E+02 0.198E+01 0.414E+01 -.254E+01 0.496E-04 0.177E-04 -.197E-04
0.726E+01 0.463E+02 -.640E+01 -.692E+01 -.515E+02 0.710E+01 -.338E+00 0.512E+01 -.710E+00 -.322E-04 0.318E-04 -.328E-04
-.305E+02 -.165E+02 0.529E+02 0.317E+02 0.182E+02 -.577E+02 -.129E+01 -.168E+01 0.478E+01 -.880E-04 0.174E-04 0.451E-04
-.117E+01 -.520E+02 0.442E+02 0.148E+00 0.545E+02 -.487E+02 0.101E+01 -.253E+01 0.446E+01 -.878E-04 0.937E-04 0.237E-04
0.153E+02 -.444E+02 -.564E+01 -.157E+02 0.492E+02 0.315E+01 0.382E+00 -.475E+01 0.249E+01 0.215E-04 0.277E-03 -.962E-04
-.517E+02 0.206E+02 -.688E+01 0.567E+02 -.222E+02 0.744E+01 -.504E+01 0.164E+01 -.540E+00 0.929E-04 -.762E-04 0.169E-03
0.736E+01 -.709E+02 -.174E+02 -.711E+01 0.761E+02 0.179E+02 -.250E+00 -.511E+01 -.508E+00 -.471E-04 -.244E-04 0.931E-05
-.431E+01 0.498E+02 0.316E+01 0.584E+01 -.547E+02 -.395E+01 -.153E+01 0.494E+01 0.789E+00 0.832E-05 0.560E-04 -.857E-04
0.346E+02 0.564E+02 0.268E+02 -.368E+02 -.602E+02 -.297E+02 0.216E+01 0.374E+01 0.288E+01 -.129E-03 0.987E-05 -.493E-04
-.147E+02 0.381E+02 -.278E+02 0.173E+02 -.426E+02 0.284E+02 -.258E+01 0.450E+01 -.611E+00 -.189E-04 -.863E-04 -.925E-04
-.460E+02 0.180E+02 0.376E+02 0.507E+02 -.196E+02 -.395E+02 -.461E+01 0.165E+01 0.187E+01 0.218E-03 0.457E-04 0.769E-04
-.127E+02 0.446E+02 0.168E+01 0.124E+02 -.500E+02 -.197E+01 0.348E+00 0.540E+01 0.286E+00 0.138E-03 0.105E-03 -.829E-04
0.451E+01 -.618E+02 0.155E+02 -.490E+01 0.668E+02 -.173E+02 0.378E+00 -.496E+01 0.181E+01 0.171E-03 0.203E-03 -.125E-04
-.353E+02 0.743E+01 0.393E+02 0.385E+02 -.836E+01 -.433E+02 -.327E+01 0.917E+00 0.392E+01 0.154E-03 0.201E-03 0.363E-04
0.396E+02 0.135E+02 0.351E+02 -.431E+02 -.161E+02 -.380E+02 0.352E+01 0.257E+01 0.290E+01 0.168E-03 -.913E-04 -.139E-04
-.312E+02 0.274E+02 -.291E+02 0.336E+02 -.297E+02 0.331E+02 -.240E+01 0.234E+01 -.393E+01 -.208E-04 0.788E-05 -.325E-04
0.179E+01 -.314E+02 0.370E+02 -.283E+01 0.340E+02 -.416E+02 0.102E+01 -.259E+01 0.461E+01 -.682E-05 0.237E-03 0.180E-04
0.427E+02 0.298E+02 0.194E+02 -.479E+02 -.306E+02 -.194E+02 0.522E+01 0.853E+00 0.113E-01 -.103E-03 0.800E-04 -.434E-04
0.814E+01 0.339E+02 0.282E+02 -.911E+01 -.367E+02 -.326E+02 0.965E+00 0.280E+01 0.445E+01 0.218E-04 -.530E-04 -.625E-05
0.221E+02 -.423E+02 0.354E+01 -.243E+02 0.468E+02 -.147E+01 0.215E+01 -.450E+01 -.207E+01 0.209E-03 -.907E-04 -.679E-05
0.155E+02 0.381E+02 -.434E+02 -.166E+02 -.417E+02 0.471E+02 0.115E+01 0.363E+01 -.370E+01 0.155E-03 -.157E-03 -.174E-03
-.450E+02 0.399E+02 0.319E+02 0.465E+02 -.439E+02 -.352E+02 -.146E+01 0.398E+01 0.334E+01 0.330E-04 -.115E-03 0.435E-05
-.582E+02 -.307E+02 0.548E+01 0.629E+02 0.329E+02 -.557E+01 -.471E+01 -.215E+01 0.109E+00 0.112E-03 -.220E-03 0.192E-03
-.183E+02 -.178E+02 0.455E+02 0.191E+02 0.189E+02 -.507E+02 -.804E+00 -.110E+01 0.517E+01 -.286E-04 -.559E-04 0.107E-04
0.364E+02 -.286E+01 0.638E+02 -.388E+02 0.378E+01 -.684E+02 0.237E+01 -.924E+00 0.460E+01 -.457E-04 0.155E-05 0.199E-04
-.244E+02 -.264E+02 -.317E+02 0.278E+02 0.286E+02 0.351E+02 -.333E+01 -.221E+01 -.340E+01 0.648E-04 -.378E-04 -.427E-05
0.349E+02 -.175E+02 0.344E+02 -.377E+02 0.171E+02 -.388E+02 0.278E+01 0.346E+00 0.436E+01 -.158E-03 0.847E-05 -.679E-04
0.176E+02 0.250E+02 -.345E+02 -.199E+02 -.278E+02 0.383E+02 0.239E+01 0.272E+01 -.384E+01 0.458E-04 0.502E-04 0.259E-04
-.122E+02 0.567E+01 0.492E+02 0.146E+02 -.569E+01 -.539E+02 -.239E+01 0.211E-01 0.467E+01 -.206E-03 0.477E-04 0.345E-04
-.176E+02 -.548E+02 -.537E+02 0.195E+02 0.576E+02 0.578E+02 -.183E+01 -.280E+01 -.403E+01 0.754E-04 0.292E-04 0.116E-04
0.175E+02 -.278E+01 0.579E+02 -.171E+02 0.449E+01 -.629E+02 -.463E+00 -.171E+01 0.500E+01 -.631E-04 0.330E-04 0.309E-04
-.241E+02 0.459E+02 0.316E+01 0.275E+02 -.497E+02 -.188E+01 -.337E+01 0.381E+01 -.127E+01 0.153E-04 -.317E-04 -.298E-04
-.279E+02 -.422E+02 0.652E+01 0.283E+02 0.475E+02 -.621E+01 -.415E+00 -.526E+01 -.298E+00 0.148E-03 0.566E-04 0.347E-04
-.556E+02 -.754E+01 -.197E+02 0.605E+02 0.842E+01 0.212E+02 -.490E+01 -.890E+00 -.151E+01 0.107E-03 0.131E-03 -.174E-04
0.271E+02 -.295E+02 -.542E+02 -.294E+02 0.326E+02 0.576E+02 0.223E+01 -.311E+01 -.346E+01 -.656E-04 -.196E-04 0.306E-04
-.180E+02 0.452E+02 0.259E+02 0.202E+02 -.473E+02 -.303E+02 -.214E+01 0.211E+01 0.439E+01 -.234E-03 0.219E-04 0.568E-04
-.314E+02 -.257E+02 -.402E+02 0.345E+02 0.275E+02 0.439E+02 -.313E+01 -.180E+01 -.375E+01 0.167E-04 0.185E-04 0.329E-04
-.573E+02 0.624E+01 -.128E+02 0.619E+02 -.736E+01 0.150E+02 -.463E+01 0.113E+01 -.215E+01 -.345E-04 0.215E-03 -.177E-04
-.199E+02 -.563E+02 -.219E+02 0.211E+02 0.601E+02 0.253E+02 -.118E+01 -.378E+01 -.343E+01 -.757E-04 0.900E-04 0.183E-03
-.351E+01 -.109E+02 -.649E+02 0.519E+01 0.118E+02 0.699E+02 -.165E+01 -.939E+00 -.494E+01 0.178E-03 0.140E-03 0.689E-04
0.261E+02 0.266E+02 -.381E+02 -.287E+02 -.295E+02 0.417E+02 0.258E+01 0.294E+01 -.363E+01 -.331E-04 -.230E-03 -.197E-04
0.313E+02 -.134E+02 -.514E+02 -.338E+02 0.120E+02 0.557E+02 0.246E+01 0.140E+01 -.433E+01 0.654E-04 0.330E-04 -.618E-04
-.313E+02 -.190E+02 0.349E+02 0.351E+02 0.216E+02 -.376E+02 -.378E+01 -.258E+01 0.270E+01 -.449E-04 -.863E-04 -.897E-04
0.579E+02 0.757E+01 -.230E+02 -.620E+02 -.498E+01 0.250E+02 0.409E+01 -.259E+01 -.201E+01 -.101E-03 -.942E-04 -.106E-03
0.438E+02 -.250E+01 0.266E+02 -.464E+02 0.167E+01 -.309E+02 0.256E+01 0.832E+00 0.433E+01 -.211E-03 -.121E-03 -.134E-03
0.289E+02 0.368E+02 0.237E+02 -.323E+02 -.405E+02 -.250E+02 0.339E+01 0.374E+01 0.132E+01 0.229E-03 0.804E-04 -.564E-04
-.550E+02 -.693E+01 0.152E+02 0.599E+02 0.799E+01 -.168E+02 -.488E+01 -.106E+01 0.163E+01 0.178E-04 -.573E-04 0.133E-04
-.225E+02 -.208E+02 -.435E+02 0.247E+02 0.216E+02 0.482E+02 -.214E+01 -.800E+00 -.468E+01 0.294E-03 0.785E-04 0.804E-04
-.567E+01 -.602E+02 -.153E+01 0.536E+01 0.654E+02 0.162E+01 0.319E+00 -.523E+01 -.924E-01 0.899E-04 0.213E-03 0.430E-06
0.300E+02 -.210E+02 -.306E+02 -.328E+02 0.227E+02 0.347E+02 0.288E+01 -.167E+01 -.407E+01 0.187E-03 0.311E-04 -.939E-04
0.372E+02 0.131E+02 -.236E+01 -.421E+02 -.147E+02 0.280E+01 0.489E+01 0.163E+01 -.463E+00 0.435E-05 -.784E-04 -.948E-05
0.143E+02 0.338E+02 0.556E+01 -.161E+02 -.386E+02 -.651E+01 0.178E+01 0.486E+01 0.940E+00 -.262E-04 -.120E-03 0.192E-04
-.227E+02 0.337E+02 0.598E+02 0.243E+02 -.355E+02 -.645E+02 -.167E+01 0.185E+01 0.466E+01 0.920E-04 0.315E-04 -.589E-04
0.508E+02 -.159E+02 -.305E+02 -.555E+02 0.179E+02 0.318E+02 0.468E+01 -.199E+01 -.126E+01 0.119E-03 -.161E-04 -.180E-03
-.396E+02 -.170E+02 0.407E+02 0.439E+02 0.184E+02 -.436E+02 -.428E+01 -.142E+01 0.290E+01 0.127E-03 0.128E-04 0.117E-03
-.483E+02 -.622E+01 -.198E+02 0.534E+02 0.707E+01 0.207E+02 -.511E+01 -.847E+00 -.812E+00 0.102E-03 0.695E-04 0.553E-05
-.694E+02 -.608E+01 -.192E+02 0.739E+02 0.745E+01 0.214E+02 -.457E+01 -.139E+01 -.217E+01 0.101E-03 -.229E-03 0.128E-03
0.222E+02 -.123E+02 -.342E+02 -.237E+02 0.125E+02 0.395E+02 0.148E+01 -.141E+00 -.529E+01 -.145E-03 -.264E-04 -.643E-04
-.210E+02 0.343E+02 0.199E+02 0.239E+02 -.389E+02 -.205E+02 -.293E+01 0.461E+01 0.667E+00 -.360E-03 0.227E-03 -.489E-04
-.257E+02 -.305E+02 0.729E+01 0.292E+02 0.346E+02 -.810E+01 -.348E+01 -.418E+01 0.825E+00 -.218E-03 -.826E-04 -.902E-04
0.913E+01 -.436E+02 -.444E+02 -.864E+01 0.485E+02 0.465E+02 -.484E+00 -.495E+01 -.204E+01 0.289E-05 0.253E-04 -.725E-04
0.532E+02 -.119E+01 0.422E+00 -.581E+02 0.737E+00 -.273E+01 0.489E+01 0.453E+00 0.230E+01 0.573E-04 0.968E-05 -.626E-04
0.180E+01 0.308E+02 -.604E+02 -.155E+01 -.343E+02 0.644E+02 -.230E+00 0.352E+01 -.409E+01 0.485E-04 -.768E-04 -.168E-04
0.157E+02 -.169E+02 -.437E+02 -.162E+02 0.202E+02 0.481E+02 0.480E+00 -.322E+01 -.438E+01 0.312E-04 0.114E-03 -.810E-05
0.514E+02 -.211E+01 0.204E+02 -.559E+02 0.234E+01 -.233E+02 0.450E+01 -.233E+00 0.290E+01 0.214E-04 0.654E-04 -.852E-04
0.869E+01 0.478E+02 -.331E+02 -.810E+01 -.528E+02 0.349E+02 -.585E+00 0.496E+01 -.177E+01 0.323E-04 0.204E-04 -.592E-04
0.736E+01 0.363E+02 -.240E+02 -.512E+01 -.407E+02 0.264E+02 -.223E+01 0.442E+01 -.238E+01 -.616E-04 0.428E-04 -.213E-04
0.191E+02 -.243E+02 -.335E+02 -.179E+02 0.288E+02 0.368E+02 -.111E+01 -.444E+01 -.335E+01 -.802E-04 0.124E-03 -.800E-04
0.666E+02 0.999E+01 -.220E+01 -.717E+02 -.108E+02 0.209E+01 0.511E+01 0.800E+00 0.879E-01 -.352E-04 0.940E-04 -.494E-04
0.368E+02 -.178E+02 0.346E+02 -.418E+02 0.199E+02 -.356E+02 0.506E+01 -.205E+01 0.969E+00 0.216E-03 0.466E-04 0.145E-04
-.164E+02 -.351E+02 0.918E+01 0.198E+02 0.393E+02 -.837E+01 -.342E+01 -.428E+01 -.801E+00 0.150E-03 -.120E-04 -.157E-03
0.484E+00 0.264E+02 0.567E+02 0.959E+00 -.289E+02 -.612E+02 -.145E+01 0.253E+01 0.448E+01 0.306E-03 0.926E-04 -.156E-03
0.442E+02 -.209E+02 0.112E+02 -.485E+02 0.240E+02 -.127E+02 0.435E+01 -.310E+01 0.151E+01 0.671E-04 -.148E-03 0.531E-04
0.893E+01 -.117E+02 -.362E+02 -.895E+01 0.114E+02 0.418E+02 0.291E-01 0.360E+00 -.555E+01 -.149E-03 -.383E-04 -.878E-04
-.361E+02 -.231E+02 0.119E+02 0.405E+02 0.261E+02 -.133E+02 -.435E+01 -.296E+01 0.139E+01 0.142E-04 0.365E-04 -.669E-04
0.239E+02 0.365E+02 0.691E+00 -.274E+02 -.406E+02 0.815E+00 0.351E+01 0.409E+01 -.151E+01 -.961E-04 -.479E-04 -.656E-05
0.296E+01 0.146E+02 0.436E+02 -.227E+01 -.145E+02 -.489E+02 -.696E+00 -.104E+00 0.537E+01 -.119E-04 0.135E-04 -.117E-03
-.447E+02 0.222E+02 -.175E+02 0.495E+02 -.237E+02 0.194E+02 -.473E+01 0.150E+01 -.194E+01 0.112E-04 -.763E-04 -.441E-04
0.163E+02 0.322E+02 0.151E+02 -.171E+02 -.369E+02 -.168E+02 0.764E+00 0.473E+01 0.169E+01 -.408E-03 0.680E-04 -.329E-04
0.400E+02 -.335E+02 0.324E+02 -.434E+02 0.367E+02 -.354E+02 0.341E+01 -.324E+01 0.296E+01 -.359E-03 -.106E-03 0.917E-04
-.259E+02 -.153E+02 0.224E+02 0.312E+02 0.166E+02 -.237E+02 -.528E+01 -.132E+01 0.130E+01 -.495E-03 -.195E-04 -.279E-03
-.138E+02 0.293E+02 0.246E+02 0.169E+02 -.334E+02 -.266E+02 -.312E+01 0.415E+01 0.193E+01 0.224E-03 -.280E-04 0.871E-04
-.504E+01 -.248E+01 -.346E+02 0.565E+01 0.225E+01 0.400E+02 -.606E+00 0.224E+00 -.539E+01 0.164E-03 -.966E-04 0.123E-03
0.459E+02 0.703E+01 0.290E+02 -.511E+02 -.823E+01 -.301E+02 0.512E+01 0.119E+01 0.106E+01 0.212E-03 -.927E-04 0.772E-04
0.373E+02 0.574E+01 -.213E+02 -.415E+02 -.729E+01 0.243E+02 0.415E+01 0.154E+01 -.308E+01 0.684E-05 0.124E-03 -.118E-03
-.194E+02 -.363E+02 -.314E+02 0.222E+02 0.404E+02 0.340E+02 -.273E+01 -.412E+01 -.257E+01 -.372E-04 -.378E-04 0.150E-04
0.240E+02 -.897E+01 0.285E+02 -.262E+02 0.113E+02 -.331E+02 0.221E+01 -.229E+01 0.462E+01 -.152E-03 0.886E-04 -.228E-03
-.580E+02 0.224E+01 -.447E+01 0.633E+02 -.370E+01 0.434E+01 -.531E+01 0.145E+01 0.152E+00 0.148E-03 -.133E-03 0.464E-04
0.929E+01 0.212E+02 -.225E+02 -.125E+02 -.258E+02 0.228E+02 0.321E+01 0.464E+01 -.234E+00 0.358E-03 0.556E-04 0.590E-04
-.382E+01 -.182E+02 -.577E+02 0.307E+01 0.206E+02 0.624E+02 0.760E+00 -.233E+01 -.462E+01 0.186E-03 0.900E-04 -.108E-05
-.492E+02 0.111E+02 -.157E+00 0.537E+02 -.139E+02 -.758E+00 -.455E+01 0.277E+01 0.929E+00 0.146E-03 0.769E-04 0.236E-04
-.170E+02 -.347E+02 -.507E+02 0.175E+02 0.371E+02 0.555E+02 -.439E+00 -.235E+01 -.477E+01 0.726E-04 0.138E-03 0.157E-03
0.212E+02 0.213E+02 -.547E+01 -.255E+02 -.247E+02 0.573E+01 0.430E+01 0.335E+01 -.276E+00 0.191E-03 0.172E-03 0.120E-03
-.161E+02 -.433E+02 -.455E+01 0.180E+02 0.480E+02 0.653E+01 -.189E+01 -.470E+01 -.198E+01 0.321E-04 0.281E-04 0.861E-04
-.408E+02 0.227E+02 0.436E+02 0.448E+02 -.252E+02 -.460E+02 -.408E+01 0.247E+01 0.248E+01 0.614E-04 -.301E-04 0.743E-04
0.285E+02 -.114E+02 0.393E+02 -.323E+02 0.126E+02 -.430E+02 0.374E+01 -.117E+01 0.370E+01 -.994E-05 0.222E-04 0.627E-04
0.360E+02 -.940E+01 0.251E+02 -.392E+02 0.119E+02 -.288E+02 0.311E+01 -.249E+01 0.368E+01 0.372E-04 -.126E-03 0.498E-04
0.896E+01 0.400E+02 0.129E+02 -.822E+01 -.452E+02 -.146E+02 -.737E+00 0.512E+01 0.167E+01 -.776E-05 0.489E-04 0.782E-04
0.361E+02 0.963E+01 -.465E+02 -.390E+02 -.993E+01 0.510E+02 0.292E+01 0.305E+00 -.454E+01 0.104E-03 -.694E-04 -.589E-04
0.845E+01 -.406E+02 0.302E+02 -.699E+01 0.453E+02 -.329E+02 -.147E+01 -.466E+01 0.270E+01 0.106E-03 -.164E-03 -.994E-04
0.398E+02 0.332E+02 0.435E+02 -.431E+02 -.358E+02 -.469E+02 0.330E+01 0.261E+01 0.333E+01 -.166E-04 -.102E-03 0.481E-04
0.340E+02 -.170E+02 -.138E+02 -.372E+02 0.185E+02 0.182E+02 0.321E+01 -.148E+01 -.440E+01 -.139E-03 -.173E-03 -.196E-04
-.252E+02 -.358E+02 0.106E+02 0.275E+02 0.401E+02 -.128E+02 -.228E+01 -.433E+01 0.220E+01 0.235E-03 0.609E-04 -.919E-04
-.280E+02 0.263E+02 -.374E+01 0.320E+02 -.298E+02 0.482E+01 -.399E+01 0.355E+01 -.107E+01 0.128E-03 -.390E-05 -.930E-04
0.180E+02 0.288E+02 0.213E+02 -.211E+02 -.312E+02 -.251E+02 0.317E+01 0.239E+01 0.379E+01 0.821E-04 -.132E-03 -.107E-03
-.270E+02 0.290E+02 -.255E+02 0.297E+02 -.332E+02 0.276E+02 -.269E+01 0.425E+01 -.208E+01 0.289E-03 -.279E-03 -.986E-04
-.401E+01 -.431E+02 -.337E+02 0.479E+01 0.472E+02 0.369E+02 -.767E+00 -.413E+01 -.328E+01 0.280E-03 -.690E-04 -.175E-04
0.343E+02 -.355E+01 -.312E+01 -.399E+02 0.228E+01 0.341E+01 0.561E+01 0.128E+01 -.303E+00 0.104E-03 -.199E-03 -.241E-04
0.427E+02 0.300E+02 0.157E+02 -.475E+02 -.316E+02 -.180E+02 0.476E+01 0.158E+01 0.227E+01 0.412E-04 0.720E-04 -.356E-04
-.347E+02 0.280E+02 0.279E+02 0.388E+02 -.298E+02 -.311E+02 -.406E+01 0.182E+01 0.321E+01 -.514E-04 0.134E-03 0.222E-04
0.596E+01 0.472E+02 -.481E+02 -.561E+01 -.496E+02 0.528E+02 -.343E+00 0.247E+01 -.473E+01 0.468E-04 0.244E-04 -.974E-05
-.534E+02 -.839E+01 -.297E+02 0.585E+02 0.771E+01 0.315E+02 -.506E+01 0.686E+00 -.178E+01 -.998E-04 0.209E-04 0.614E-04
0.354E+01 -.532E+02 0.143E+02 -.373E+01 0.581E+02 -.166E+02 0.190E+00 -.486E+01 0.231E+01 -.942E-04 -.533E-04 0.483E-04
0.299E+02 -.137E+02 -.449E+02 -.330E+02 0.138E+02 0.493E+02 0.314E+01 -.113E+00 -.439E+01 -.218E-04 -.773E-06 0.242E-04
-.157E+02 0.203E+02 -.436E+02 0.162E+02 -.232E+02 0.483E+02 -.487E+00 0.290E+01 -.461E+01 0.414E-03 0.581E-04 -.823E-04
-.526E+02 0.311E+01 0.965E+01 0.574E+02 -.319E+01 -.121E+02 -.479E+01 0.756E-01 0.242E+01 0.211E-03 0.120E-03 -.737E-04
0.904E+01 -.455E+02 -.188E+02 -.104E+02 0.505E+02 0.201E+02 0.139E+01 -.501E+01 -.136E+01 0.359E-03 0.162E-03 -.160E-03
0.108E+02 -.221E+02 -.430E+02 -.111E+02 0.231E+02 0.484E+02 0.400E+00 -.946E+00 -.541E+01 0.129E-03 0.138E-03 -.255E-04
0.101E+02 -.532E+02 0.196E+02 -.105E+02 0.581E+02 -.219E+02 0.385E+00 -.491E+01 0.231E+01 0.156E-04 0.971E-04 -.327E-04
0.345E+02 0.184E+02 0.168E+02 -.387E+02 -.213E+02 -.183E+02 0.425E+01 0.291E+01 0.150E+01 0.150E-03 0.170E-03 -.787E-04
0.234E+02 -.575E+02 -.649E+02 -.219E+02 0.620E+02 0.713E+02 -.146E+01 -.447E+01 -.641E+01 0.124E-03 0.138E-04 -.192E-04
0.811E+01 0.238E+02 -.406E+02 -.119E+02 -.271E+02 0.430E+02 0.378E+01 0.333E+01 -.238E+01 0.158E-04 0.125E-03 -.772E-04
-.339E+02 -.595E+02 -.103E+02 0.373E+02 0.638E+02 0.913E+01 -.342E+01 -.428E+01 0.114E+01 0.125E-03 0.113E-03 -.425E-04
-.225E+02 -.285E+01 0.910E+02 0.214E+02 0.557E+01 -.989E+02 0.113E+01 -.269E+01 0.781E+01 0.578E-05 0.313E-04 0.303E-03
0.228E+01 0.102E+03 0.408E+02 -.243E+01 -.110E+03 -.441E+02 0.152E+00 0.760E+01 0.335E+01 -.620E-04 0.191E-03 0.151E-03
-.292E+02 0.484E+02 0.636E+02 0.318E+02 -.524E+02 -.702E+02 -.259E+01 0.408E+01 0.668E+01 0.217E-03 -.241E-03 -.349E-03
-.574E+02 0.475E+02 0.107E+02 0.636E+02 -.519E+02 -.133E+02 -.620E+01 0.435E+01 0.260E+01 0.326E-03 -.344E-03 -.137E-03
0.372E+02 -.318E+02 0.119E+02 -.411E+02 0.359E+02 -.115E+02 0.387E+01 -.415E+01 -.406E+00 0.385E-04 -.133E-03 0.920E-05
-.207E+02 -.299E+01 0.601E+02 0.238E+02 0.389E+01 -.645E+02 -.310E+01 -.901E+00 0.447E+01 -.155E-03 -.105E-03 0.179E-03
0.188E+02 0.428E+02 0.991E+01 -.216E+02 -.478E+02 -.110E+02 0.283E+01 0.498E+01 0.103E+01 -.272E-04 -.223E-05 0.831E-04
-----------------------------------------------------------------------------------------------
-.156E+02 0.155E+02 0.285E+02 0.167E-11 0.306E-12 0.586E-12 0.157E+02 -.156E+02 -.285E+02 -.985E-03 0.768E-02 -.562E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.64165 1.48207 17.06679 -0.018720 0.005962 0.006587
4.49333 1.47499 6.57921 0.001163 -0.007768 -0.006420
16.87485 4.72566 0.64185 -0.002561 -0.005569 0.004169
5.32184 4.12206 5.03859 0.002391 0.001089 0.016026
1.68092 1.81433 9.00249 -0.009113 -0.008262 -0.001162
4.78416 1.79539 13.44423 0.010241 -0.004662 -0.003515
1.60961 4.66907 10.60847 0.021083 -0.004434 0.009082
4.59895 4.61599 11.97973 -0.005698 0.004422 0.010062
0.26165 7.88752 17.00306 0.006011 0.001908 0.003565
4.32860 7.13246 6.13949 -0.002549 -0.006743 -0.003310
1.15856 10.23230 2.22879 0.000721 -0.001493 -0.002528
4.20210 9.48972 3.74726 -0.007569 -0.010807 0.009147
1.45932 6.44792 7.93494 -0.001491 -0.007669 0.006049
4.91598 6.83540 14.41588 0.007005 0.011066 -0.006850
5.04417 9.97595 13.84687 0.004483 0.004282 -0.001620
1.38514 13.25089 0.04840 -0.004812 0.001227 0.000542
4.47255 13.77458 7.04376 0.021563 0.003127 -0.013246
1.67977 15.88338 2.19115 0.021286 0.003859 -0.008078
4.12522 15.98170 4.64120 -0.013734 -0.002023 -0.012909
1.45722 14.59370 7.97489 0.005087 -0.004875 -0.002508
4.39451 13.02257 14.77688 0.000878 0.001300 0.003562
1.58204 16.18474 10.72188 0.008916 -0.008132 -0.006177
4.61946 15.86245 12.36319 -0.024716 -0.000317 0.010654
6.86599 2.10507 15.68348 0.006083 -0.012569 -0.018623
9.96500 1.59521 6.51593 0.013192 0.020723 -0.004259
7.05226 5.23310 2.92550 -0.006589 -0.000672 -0.003126
9.73984 4.05738 4.25248 -0.033990 0.012316 -0.002744
7.25310 1.45416 8.41434 -0.026498 0.007953 -0.009965
9.83850 2.04161 14.59814 0.009085 0.000382 0.011065
7.49527 4.33808 9.97562 0.010709 -0.004517 0.007206
9.77454 4.37600 12.41513 -0.007845 0.017160 0.020399
7.22720 7.00081 0.30972 -0.016996 -0.000711 0.004519
9.97113 7.34576 5.63348 0.011764 0.007877 0.007647
6.98195 9.88723 1.99939 0.014626 -0.004161 -0.009247
9.73690 10.17045 3.86386 -0.018139 -0.002286 -0.002299
7.63293 6.85551 7.87980 -0.010217 0.004054 0.013801
7.60988 11.17141 11.30103 0.003967 0.010248 0.016537
10.24069 11.37006 12.84018 -0.021672 0.000131 0.007000
7.14920 12.18749 16.59039 0.002517 0.004484 0.000133
10.22779 13.24472 6.56247 0.001486 -0.011063 0.008331
7.10749 15.96808 3.31239 -0.118288 0.003881 -0.019378
9.98048 15.98245 4.67249 -0.005149 -0.003428 0.010506
7.45282 13.64044 8.60020 -0.010196 -0.003581 -0.003036
10.19325 13.78581 14.74852 0.022449 0.004629 0.014611
7.33015 16.13771 10.58597 0.002365 0.006916 0.002685
9.55591 16.50645 12.99626 -0.026705 -0.016011 -0.003051
12.29831 1.15109 16.68801 -0.003252 0.009109 -0.011054
15.94867 1.31229 7.49053 0.008457 0.003509 0.001038
14.06781 3.25635 1.45258 0.003925 -0.000398 0.003869
15.37365 2.99048 4.61570 0.003817 -0.001716 -0.000962
12.89408 1.79933 8.93246 0.000813 -0.004521 -0.004256
15.41752 0.15053 15.53918 0.007436 -0.001576 0.004464
12.99714 3.86852 11.40384 0.001629 -0.007107 -0.005839
15.87190 5.01741 12.22947 -0.016620 -0.003010 -0.005962
13.22556 8.02374 16.93124 -0.010504 -0.006996 0.003830
16.98309 5.51964 5.53521 0.016419 -0.001022 0.026540
12.13074 10.55394 1.50794 0.020989 -0.003436 0.006936
16.78516 10.30352 5.11990 0.003094 -0.007094 0.015169
15.25747 8.17003 14.35634 0.006072 0.001965 -0.003459
12.33131 12.13903 11.06566 0.016360 0.001637 0.012501
14.90050 11.26704 12.89971 -0.007104 0.006891 0.006530
12.59125 13.57164 16.79931 -0.006074 -0.002712 -0.004979
16.01875 13.07194 6.75982 0.018316 0.003176 0.011152
11.94727 16.26054 1.98808 0.015314 0.005390 -0.010153
14.34970 13.41498 4.27152 -0.004612 0.005470 0.002069
13.15916 13.25390 8.45795 -0.010183 0.000918 0.006298
15.62595 13.28182 15.23582 0.004389 0.006878 -0.001461
13.61037 15.77140 10.64946 0.008885 0.001037 -0.007018
16.15797 15.95261 12.69919 -0.007039 -0.002861 -0.008830
1.36645 0.57061 1.55199 -0.000416 -0.011140 -0.015536
0.90765 3.41877 0.01254 0.011825 0.004089 0.009946
4.02376 5.43043 5.36779 -0.003821 0.006757 -0.017923
3.20677 2.14560 7.86434 0.007226 0.017451 0.006270
5.79530 5.02134 10.57080 -0.004193 0.003484 -0.018267
17.04590 9.11747 1.21201 0.001737 0.008740 -0.004984
2.77753 9.21189 2.48655 -0.002137 0.010828 0.025188
2.81297 7.56784 7.26110 -0.003731 0.017675 0.001434
17.12042 8.39269 9.14031 0.006910 -0.001356 -0.001089
3.95715 11.55751 13.54737 0.006518 -0.000507 -0.000484
6.41737 10.12247 12.42915 -0.009309 -0.017013 -0.006506
16.91761 8.50761 15.23447 -0.020041 -0.003475 0.022981
1.44962 12.03098 1.55340 0.018543 -0.008411 -0.003488
4.79036 14.80715 13.98958 0.012928 -0.002333 -0.008956
3.11879 15.33129 11.36228 -0.002522 0.023138 0.011263
3.00971 12.98245 16.24166 0.008936 0.001327 0.013435
10.48078 5.76132 4.69162 0.002058 -0.009952 0.016549
11.49666 4.95795 11.70340 0.002368 0.006930 -0.003972
8.52718 2.92183 15.57848 0.009067 0.007510 0.007235
10.14628 11.45839 5.54365 0.004873 0.009131 -0.014452
5.80514 7.27835 7.38677 0.010106 -0.000630 -0.018667
6.47221 6.75207 15.61999 -0.014821 -0.007236 0.012729
6.87556 12.26276 9.84937 0.006853 -0.010507 -0.011025
8.78798 12.88237 15.53033 -0.012957 -0.011237 -0.017764
15.83963 1.43922 5.57691 -0.017275 0.000733 0.006083
15.29267 2.54520 2.69907 -0.012777 0.001868 0.010840
14.65527 2.32066 8.38978 -0.000545 0.009614 0.016111
11.64255 2.01772 7.39428 -0.018915 -0.004432 0.016734
12.68823 0.12961 9.88322 -0.003556 -0.010546 -0.018259
15.37210 6.33527 13.63960 0.007409 -0.003229 0.009401
13.54317 0.37027 15.51576 -0.001330 -0.009396 -0.018437
11.75241 6.98979 7.66687 -0.006439 0.014814 -0.008716
14.65631 9.39883 13.02248 -0.001446 -0.000635 0.016198
11.79512 11.93608 0.23319 0.005168 -0.011003 0.001333
15.58632 14.27076 5.41605 -0.018209 -0.016898 0.004894
12.64630 14.64778 1.25229 0.003132 0.002892 -0.001533
16.37260 14.38467 13.79079 0.009104 0.011525 0.007575
6.79829 4.16509 6.13589 -0.006901 0.000753 -0.009089
3.44600 2.11601 14.68058 -0.016356 0.003254 0.006796
3.40540 6.39606 15.41360 -0.018344 -0.001021 -0.002035
4.68656 9.80120 15.71208 0.005385 -0.002488 0.007810
1.37476 15.81560 6.57823 -0.003886 0.006514 0.002306
7.09116 6.82682 3.84156 -0.005004 0.001822 0.003866
7.61921 10.48065 15.85060 0.013595 -0.004500 0.008544
7.41731 15.85075 1.53036 -0.012152 -0.000317 0.001952
15.55491 16.72321 8.03619 -0.004788 -0.004866 0.000624
13.07544 4.74991 1.82622 0.001460 0.012311 -0.012464
15.87257 16.00210 16.79212 -0.001294 -0.001426 -0.009014
13.32407 2.60450 12.73784 0.002863 0.001514 0.003094
0.55257 6.59009 4.23847 -0.009761 0.013581 -0.010009
15.18781 9.39217 4.84250 0.009881 0.012460 -0.018395
11.03005 13.47207 10.75330 -0.007238 -0.001797 -0.013081
15.23456 13.02060 2.66793 0.005135 -0.010124 -0.015763
12.82592 15.26774 12.27035 -0.000085 0.000036 0.014599
4.40918 11.95418 6.74218 -0.010476 0.000421 0.002377
8.12567 8.21032 9.04390 0.012838 -0.008115 -0.011247
13.25203 17.02674 3.08108 -0.018466 -0.011027 -0.004582
13.74931 3.77597 5.08661 -0.008991 -0.000056 -0.003922
11.37644 6.90363 15.32888 0.004402 -0.002802 0.021161
4.65956 2.62491 5.40277 -0.022588 0.005773 -0.003535
5.77820 4.27552 3.43339 -0.022526 0.007158 -0.007130
0.34425 1.70014 8.04766 -0.008173 0.006352 -0.013377
1.80178 0.52065 10.02523 -0.003455 0.011944 0.002906
4.75197 3.01557 12.34459 -0.008060 0.001522 -0.004910
1.50866 3.14559 9.98826 0.004009 -0.001534 -0.004867
4.95495 5.61706 13.24745 0.005074 -0.001979 -0.004733
2.96525 4.81056 11.54596 -0.004314 0.006421 -0.001034
16.29014 1.39873 16.27659 0.002489 -0.003262 -0.010213
16.82528 6.26817 0.05615 -0.004001 -0.002788 0.002005
4.31845 8.27298 4.89417 0.003220 0.005015 -0.001966
5.63216 9.69461 2.96140 0.005321 -0.002678 -0.007924
0.94951 5.35726 6.79609 -0.005063 -0.004294 -0.009272
1.85277 5.69223 9.33275 -0.008314 0.012292 0.002800
4.75640 8.28789 13.57981 0.000877 0.001984 -0.005161
0.07699 7.35429 8.20217 0.010924 0.003176 -0.014194
4.28114 14.65754 5.60818 -0.005308 -0.010562 0.014860
1.65902 14.75332 0.95001 0.004611 -0.008833 0.000609
4.07933 0.13556 5.63701 -0.001613 0.019686 0.005093
5.62049 16.05892 3.83469 0.074442 -0.006554 -0.023083
3.00957 15.90890 3.37800 0.000266 -0.004013 -0.007391
3.08205 14.09576 7.94827 -0.010081 0.003301 0.013150
0.23007 13.47400 7.69640 0.002813 -0.010541 0.006441
1.10926 15.18592 9.46978 0.000519 0.008586 0.000585
4.55424 0.32126 12.75908 -0.008685 0.003603 -0.003839
5.91070 15.72195 11.29959 0.006070 0.010204 -0.017898
16.98718 13.16099 16.30423 -0.006705 0.005095 0.004627
9.66000 2.88679 5.47616 -0.008679 -0.017659 0.013136
8.39031 4.29405 3.31744 0.000815 -0.014191 0.004916
8.63059 1.34808 7.47112 0.006421 0.001187 0.002428
5.92543 1.23610 7.41094 0.012275 -0.001594 0.003616
7.22987 0.30280 9.59077 0.005597 -0.010492 0.005348
10.15420 2.86954 13.21165 0.000804 0.001383 0.001043
7.20240 2.90258 9.16187 0.004640 -0.001580 -0.007033
9.14997 5.39121 13.44120 0.032205 -0.017942 -0.020212
8.72409 4.11187 11.04045 0.001129 -0.009511 -0.009940
6.24945 1.79379 14.18209 -0.001456 0.001253 0.009058
6.87755 5.68407 1.32935 -0.005821 -0.005630 0.004257
9.84064 8.69240 4.65499 -0.002333 -0.000734 -0.005019
7.03793 8.42556 1.15376 -0.012204 -0.004285 0.001969
10.91717 10.34111 2.66849 -0.001446 -0.005447 0.000367
8.28378 10.10311 3.07473 0.004456 0.002414 -0.001957
8.65360 6.97985 6.56366 0.004106 -0.001384 0.001509
7.85787 5.44210 8.74719 -0.010051 0.003194 0.005079
10.10644 10.04825 13.80448 0.017267 0.018326 -0.005220
10.83740 12.62447 13.70434 0.008252 0.000861 0.010255
11.31374 10.95600 11.63497 0.007762 0.001728 -0.008496
8.78970 11.87338 12.23897 0.004616 0.000686 -0.013663
8.85645 6.92821 0.03597 0.021013 -0.013650 0.006341
6.87762 11.19796 1.06788 -0.023516 -0.009321 -0.012479
10.26948 14.61309 5.54607 -0.002641 0.021776 -0.013483
10.18848 0.20638 5.55031 -0.006224 -0.013636 -0.008952
10.69137 16.02909 3.16059 -0.004661 0.001077 0.007004
8.30672 15.92983 4.34426 0.074780 -0.001036 0.039583
8.82132 13.37205 7.56570 0.001060 0.005696 0.001528
6.01003 14.02465 7.72939 0.006441 0.006980 0.001395
9.76327 15.09492 13.81746 -0.003145 0.009153 -0.008887
7.81165 14.92544 9.56720 -0.005011 0.002711 0.011551
9.32235 0.52805 14.12757 0.001566 0.000931 -0.007923
8.39215 16.36972 11.82386 0.000666 0.002219 0.007291
5.76926 12.65265 15.62072 -0.011409 0.005730 0.002749
11.64972 0.19003 0.72859 -0.003218 -0.018295 -0.002979
13.23660 2.28643 0.45688 -0.000330 -0.007349 -0.005151
16.60580 4.08133 4.83085 -0.010397 -0.001864 -0.004453
12.61823 3.04263 10.00532 0.001647 0.008200 -0.005539
0.18412 5.11173 11.39177 -0.009569 -0.009427 -0.003228
14.49972 4.73257 11.30791 0.006883 0.000448 -0.000156
11.14530 1.80536 15.70280 0.008086 -0.000465 -0.004514
14.28631 7.45124 0.94407 0.088270 -0.037767 -0.011745
12.46576 9.25593 0.51326 -0.000549 0.010493 -0.003871
16.43085 11.67459 5.98595 -0.006158 0.007895 0.000373
0.41626 10.55233 3.71533 0.003220 0.005316 -0.005895
15.60029 6.13466 6.19292 -0.005037 -0.021365 -0.053007
11.21645 7.79691 6.62076 -0.013752 -0.003896 0.007817
15.25710 11.88574 14.40370 0.005991 0.000410 0.005317
16.25305 11.55266 11.97275 0.012019 -0.034044 0.099731
13.64184 12.04579 12.11190 -0.009254 0.006927 0.000782
14.09709 8.35642 15.56745 -0.005371 -0.003685 0.001590
12.17436 6.83198 16.52244 0.009836 0.013155 -0.009809
14.57429 12.94064 7.62592 0.003075 -0.003508 0.004516
11.72963 13.33801 7.47126 -0.002129 -0.002383 0.001682
12.95190 11.98880 9.51799 0.003180 0.003107 -0.002687
13.50919 14.60608 9.39422 0.000132 0.005030 0.003767
15.85695 17.08545 13.91960 -0.003822 -0.002246 -0.001654
0.46198 16.24072 11.95906 -0.001739 0.000135 0.008988
15.13833 16.00722 11.36409 -0.001605 0.001703 0.003436
14.17689 13.51619 16.11870 -0.005000 -0.004968 0.005310
11.53251 14.18822 15.67979 -0.003541 0.004571 -0.004234
16.92432 4.80575 2.12156 0.012264 -0.004850 -0.005688
1.60016 0.97245 16.06425 0.007149 0.010596 0.003245
3.92551 10.74313 4.48002 0.027593 -0.000997 -0.000749
0.19119 8.00820 10.19192 0.018887 -0.006703 -0.004751
1.71811 7.63790 17.04297 0.003441 -0.005950 0.012831
16.08859 8.77170 9.12630 0.004058 -0.008831 -0.020616
6.95535 0.80858 16.43410 0.008768 -0.000621 0.003888
5.89636 2.96631 16.43836 0.018356 0.003059 -0.005051
10.71602 3.42546 3.31349 0.003089 -0.002090 0.008131
8.33946 10.11231 10.56552 -0.017608 -0.009890 0.004975
7.05529 13.36311 0.39813 0.028265 -0.005090 0.005712
10.76896 16.86967 12.24863 0.010042 0.000429 0.006620
15.38409 4.13033 0.42847 -0.008830 0.000462 -0.000305
16.09518 3.80452 13.07020 0.017041 0.009298 0.002851
0.59400 9.54529 6.01742 0.013461 0.012517 -0.000231
13.34845 10.76335 2.33352 -0.007474 -0.006929 0.016591
12.14225 7.65924 8.44715 0.020101 -0.003153 0.022791
12.58506 6.37186 7.28843 0.001268 -0.008944 0.011826
13.16236 14.29871 4.08614 -0.003696 -0.004219 -0.013640
0.54908 15.53758 3.09556 -0.000468 -0.002797 -0.009171
13.80343 12.16562 4.87686 0.005096 0.000174 -0.011355
0.91201 1.01833 2.45786 0.004820 0.003935 -0.002338
1.87533 3.64513 0.50036 -0.003926 0.003978 0.009513
3.25522 4.96703 6.00850 0.001231 -0.009423 -0.007454
2.79275 3.00634 7.29905 -0.010154 -0.014244 0.002125
5.98155 6.10585 10.68953 0.003491 -0.011281 0.004589
16.24038 9.78519 0.85770 -0.003379 -0.008888 -0.013979
2.41812 8.17372 2.61372 0.001763 -0.002409 -0.001087
2.23028 8.30036 6.66864 -0.002308 -0.014987 -0.000837
2.88360 11.35460 13.71406 -0.003822 -0.010266 -0.020555
5.78766 9.61134 11.66412 -0.005940 0.007430 0.005331
0.57288 8.18280 14.59280 -0.006342 -0.005041 0.003879
0.85663 12.59159 2.29904 0.001347 0.011111 -0.009509
5.86638 14.88034 14.24317 -0.003792 -0.004194 0.026605
2.69212 14.46201 11.89760 0.006735 -0.010216 0.002457
3.07133 11.88390 16.39542 -0.003084 0.002904 -0.009186
10.75217 6.10298 3.67132 -0.020071 0.004062 0.005810
11.29398 5.49383 10.75763 -0.015648 -0.011703 0.009660
8.42810 3.90795 15.07515 -0.004723 -0.007442 -0.004435
11.19662 11.12035 5.65177 0.001419 0.015469 0.022151
5.85715 8.38283 7.49827 0.000520 0.005692 0.003019
6.79104 5.69796 15.47606 -0.000422 -0.008608 0.002122
6.41408 11.45958 9.23934 -0.009635 0.008785 -0.013782
9.36607 11.94565 15.64165 0.000692 0.005848 0.003134
16.80955 1.09255 5.17377 -0.000969 -0.000641 0.019657
15.21578 1.45136 2.63134 -0.000848 -0.003662 0.001174
14.56556 3.34778 7.99741 -0.011546 -0.008358 0.002668
12.33339 1.81874 6.55018 -0.006767 -0.007829 -0.008516
11.94745 16.72661 9.27179 -0.003507 0.013493 -0.006827
15.88789 5.83297 14.48519 0.006514 0.008148 -0.004393
13.33208 0.90518 14.57367 -0.021302 0.003420 0.010370
13.56507 9.21276 13.02705 -0.008844 0.012681 -0.018955
11.55086 11.36054 16.46020 -0.011274 0.001249 -0.000152
15.14667 15.18391 5.83634 -0.001671 0.014143 -0.002022
12.40760 13.89142 2.02076 0.009572 -0.008685 0.001114
16.66975 13.56326 13.11078 -0.013514 -0.002749 0.009061
2.37338 1.04185 1.50912 0.006208 -0.008957 0.019463
1.01849 3.64915 16.09072 -0.019517 0.002711 0.003205
3.51920 5.62532 4.40623 -0.016034 -0.002236 -0.006810
3.91590 2.61649 8.57638 0.000666 -0.014172 -0.006353
5.20880 4.94366 9.63386 -0.005492 -0.002337 0.012458
16.56853 8.53556 2.02116 0.003537 -0.008383 0.000915
3.27172 9.21380 1.49495 -0.016554 0.004136 -0.010009
3.19532 8.15543 8.11641 0.014208 -0.010731 -0.010245
4.05494 11.91682 12.50975 -0.014243 0.007196 -0.011311
7.14359 9.32454 12.68788 -0.001296 0.014139 0.005727
17.00995 9.60786 15.31191 0.002698 0.009071 0.005557
2.49583 12.22457 1.87006 -0.000554 -0.005693 0.018586
4.30477 15.47797 14.72869 -0.002320 0.010314 -0.008432
3.56319 14.89708 10.44813 -0.016713 0.000317 -0.011534
3.65671 13.36788 17.05894 0.001139 -0.009337 -0.010317
11.45886 5.51491 5.14981 -0.008043 0.016745 0.014709
11.76669 5.74722 12.42863 0.012290 -0.010003 -0.000894
8.86400 3.10300 16.61306 0.027843 -0.005720 -0.009342
9.60794 10.85627 6.30089 0.003684 -0.009114 -0.007609
5.27621 6.97427 8.31460 0.013333 -0.004001 0.009114
7.25882 7.30502 15.06938 0.003205 0.003955 0.004196
6.00936 12.81863 10.26350 0.003426 0.010915 -0.018130
8.25399 12.70083 14.57010 -0.009355 -0.000080 0.007383
15.11263 0.65295 5.29811 -0.005181 -0.000141 -0.016067
16.30878 2.77752 2.33509 0.010489 0.001033 0.017760
15.10539 2.46768 9.39288 0.009901 -0.006888 -0.013342
11.57899 3.12522 7.40584 0.002607 0.003719 -0.003135
12.08742 0.48343 10.74516 0.002738 0.008797 0.000798
14.32471 5.97528 13.73446 0.002944 -0.010622 -0.025986
13.18069 16.49028 15.32419 -0.005109 -0.002595 -0.011199
15.00877 9.01840 12.04647 -0.009563 -0.005547 0.001221
10.81433 12.37877 0.50402 0.002529 0.011695 -0.016601
16.46554 14.55600 4.81927 0.004322 -0.000387 0.016439
13.72011 14.84621 1.42890 -0.009268 0.011046 0.019457
0.18287 14.69799 14.29113 -0.006377 -0.011348 0.016828
6.47628 4.19511 7.18224 0.015772 -0.000998 0.009518
7.36788 3.23980 5.99794 0.011729 -0.006957 0.010153
7.48150 5.00193 5.96698 0.008163 0.005764 0.010036
3.54472 3.12895 15.09788 0.006274 -0.007942 -0.004875
2.45410 2.02645 14.21541 0.001037 -0.000587 -0.012610
3.49848 1.39943 15.51079 0.014866 0.002326 -0.010125
3.30754 7.04390 16.29190 0.016788 0.000034 -0.014299
2.47812 6.44598 14.82407 0.001283 0.002182 -0.010243
3.52745 5.36310 15.77778 0.008644 0.014090 -0.007765
5.12543 8.90981 16.17379 0.008941 0.005429 0.005599
4.88271 10.65991 16.35522 0.011705 -0.002061 -0.000390
3.59129 9.63652 15.67565 0.010487 0.001342 -0.022745
0.37553 16.21442 6.39344 -0.001709 0.000926 -0.009283
2.05601 16.65695 6.74468 0.005346 -0.000348 0.007406
1.68817 15.29332 5.66142 -0.007917 -0.000592 0.001509
6.22588 7.42177 3.53564 -0.005529 0.003830 -0.008091
7.07455 6.73591 4.92934 0.010534 0.002144 0.003854
7.98081 7.40627 3.56055 -0.004181 -0.000661 0.009868
6.93308 9.68397 16.12883 0.008679 0.007889 -0.004370
7.74052 10.50552 14.76046 -0.011257 0.005750 0.004453
8.60005 10.19188 16.25955 0.008466 -0.000019 0.013286
7.23779 14.79292 1.19005 -0.008078 0.001811 0.000030
6.72880 16.49935 0.97115 -0.014683 0.003204 -0.012837
8.45832 16.11555 1.30173 -0.016481 0.000581 0.026786
16.16874 15.91469 7.64115 -0.002145 0.007863 0.004063
15.66214 16.69192 9.13064 0.012429 0.002399 -0.002143
14.50454 16.49595 7.80322 -0.003477 -0.001881 -0.013814
12.24074 4.40879 2.46204 0.002168 -0.003141 -0.006128
13.63397 5.53463 2.34960 0.007077 -0.000574 0.006100
12.64906 5.17737 0.90576 -0.011513 0.000524 -0.003310
16.93316 15.72954 16.75322 0.005062 -0.007286 0.013494
15.26403 15.09887 16.81800 -0.002451 -0.005195 -0.008755
15.75070 16.50909 0.60858 0.010169 0.001365 -0.003136
14.24820 2.04147 12.54174 0.003553 -0.006827 0.013591
13.42096 3.09345 13.71910 0.014855 -0.000294 0.007038
12.47158 1.91503 12.79331 -0.001473 -0.000258 -0.011038
0.93064 7.53874 4.64435 0.000363 -0.005984 0.007282
1.38520 6.08136 3.73084 -0.014639 -0.004962 0.021607
16.93770 6.82550 3.44278 -0.007783 -0.001123 -0.006329
14.56790 9.90625 4.09372 -0.013816 -0.000017 -0.010780
15.35614 8.36358 4.49629 -0.001142 0.000748 -0.000912
14.60668 9.33618 5.77564 0.018100 0.007104 -0.004021
11.33351 14.37579 10.22516 -0.001109 0.003863 -0.002860
10.36916 12.91424 10.06844 -0.011916 0.003151 -0.013125
10.41832 13.75678 11.61198 0.014235 -0.002360 -0.005808
15.69478 13.91763 2.22690 -0.013098 -0.003000 0.016363
16.04189 12.31034 2.89496 -0.005872 0.006950 0.012357
14.59346 12.55093 1.91350 -0.008035 0.002076 -0.003193
13.38683 14.41627 12.68154 0.001974 0.007363 -0.003491
13.00010 16.12791 12.93617 0.011666 -0.003225 -0.009586
11.76993 15.02981 12.31868 0.004984 0.006094 -0.015776
3.45661 11.64951 6.29285 -0.008497 -0.002379 -0.017242
5.22913 11.59776 6.10532 -0.006460 0.009583 0.009199
4.48735 11.45668 7.72187 0.012163 0.000521 -0.001855
9.15593 8.06432 9.39947 0.009360 0.001495 0.017651
8.07494 9.19698 8.56241 -0.006715 0.000147 -0.002714
7.47394 8.22677 9.92883 0.007690 -0.004870 -0.008674
13.34829 16.44601 4.00748 0.020854 -0.005490 0.012599
14.22956 17.02633 2.58177 0.000580 -0.001275 0.004316
12.97621 0.90633 3.34974 0.002654 0.007960 -0.001974
13.67145 3.95076 6.16595 0.019867 -0.005705 -0.006040
13.67484 4.75781 4.59850 -0.008628 -0.002598 0.000965
12.88885 3.16848 4.76928 -0.001244 -0.002882 -0.009405
15.80532 6.68471 6.98188 0.020128 0.016407 0.019686
10.99330 6.33146 8.12421 0.001717 -0.004532 -0.004491
0.65301 9.22752 8.95272 -0.000850 0.001184 0.006816
16.09566 11.86346 11.06797 -0.024627 0.023275 -0.064025
10.09066 9.17276 13.38443 0.001891 -0.009985 -0.004273
9.09312 6.43846 16.39249 -0.020625 0.015606 0.026065
15.03368 6.92172 0.60027 -0.053165 0.041037 0.030538
10.63515 7.71282 15.40970 -0.010930 0.003862 -0.015846
12.01021 7.08724 14.44482 -0.011870 -0.000721 -0.001624
10.85508 5.94950 15.17582 -0.016289 -0.009731 -0.017060
-----------------------------------------------------------------------------------
total drift: 0.021371 -0.032570 0.069825
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4518487773 eV
energy without entropy= -2279.4755311314 energy(sigma->0) = -2279.45974290
d Force = 0.9312317E-03[-0.350E-06, 0.186E-02] d Energy = 0.9033813E-03 0.279E-04
d Force =-0.9633839E-01[-0.993E-01,-0.933E-01] d Ewald =-0.9633901E-01 0.626E-06
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 6 -------------------------------------------
--------------------------------------- Iteration 6( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1616
total energy-change (2. order) :-0.2289363E-02 (-0.3902226E-01)
number of electron 1204.0000382 magnetization
augmentation part 54.0276119 magnetization
free energy = -0.227945414112E+04 energy without entropy= -0.227947782774E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 6( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1904
total energy-change (2. order) :-0.7458876E-03 (-0.9233072E-03)
number of electron 1204.0000382 magnetization
augmentation part 54.0274554 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8722
0.8722
free energy = -0.227945488701E+04 energy without entropy= -0.227947856635E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 6( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1952
total energy-change (2. order) : 0.1047298E-03 (-0.2292281E-04)
number of electron 1204.0000382 magnetization
augmentation part 54.0275610 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4546
1.0191 1.8902
free energy = -0.227945478228E+04 energy without entropy= -0.227947846348E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 6( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1880
total energy-change (2. order) : 0.3079799E-04 (-0.3058210E-04)
number of electron 1204.0000382 magnetization
augmentation part 54.0273207 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.2129
1.9499 0.9533 0.7355
free energy = -0.227945475148E+04 energy without entropy= -0.227947843456E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 6( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1832
total energy-change (2. order) : 0.1330889E-05 (-0.6948883E-05)
number of electron 1204.0000382 magnetization
augmentation part 54.0273207 magnetization
free energy = -0.227945475015E+04 energy without entropy= -0.227947843168E+04
--------------------------------------------------------------------------------------------------------
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 -89.4942 2 -89.9789 3 -90.3010 4 -88.6796 5 -89.6462
6 -88.8992 7 -90.0171 8 -89.2653 9 -89.2492 10 -88.8403
11 -89.0653 12 -88.8715 13 -89.4140 14 -88.7271 15 -88.5936
16 -89.8691 17 -89.9114 18 -90.1360 19 -91.0147 20 -89.6071
21 -88.6583 22 -89.4896 23 -89.0075 24 -88.1901 25 -90.1288
26 -89.0580 27 -89.2909 28 -90.0676 29 -89.1004 30 -89.1704
31 -87.6696 32 -89.1456 33 -89.3382 34 -89.1683 35 -90.0054
36 -88.8526 37 -88.5437 38 -89.2814 39 -87.9796 40 -90.6596
41 -91.3738 42 -90.9587 43 -90.1205 44 -88.9895 45 -89.8695
46 -89.1869 47 -90.1134 48 -88.5501 49 -90.4867 50 -89.1416
51 -88.8820 52 -89.3174 53 -88.5558 54 -89.3757 55 -89.4703
56 -89.2708 57 -89.2434 58 -88.9839 59 -89.0386 60 -89.4010
61 -89.4636 62 -89.4791 63 -89.7237 64 -89.7937 65 -88.0735
66 -90.4194 67 -90.2074 68 -89.2939 69 -89.8235 70 -54.0380
71 -54.2556 72 -52.8469 73 -53.4345 74 -52.8700 75 -53.3189
76 -53.0825 77 -53.0837 78 -54.7522 79 -52.7249 80 -52.9717
81 -53.3600 82 -53.2375 83 -52.8997 84 -52.8315 85 -53.0985
86 -53.2005 87 -52.2541 88 -52.4836 89 -53.6627 90 -53.0841
91 -52.7992 92 -53.3784 93 -51.8835 94 -53.3734 95 -54.1979
96 -52.8666 97 -53.4091 98 -53.1041 99 -53.3672 100 -53.2738
101 -54.3874 102 -53.1391 103 -53.0877 104 -53.1404 105 -53.3691
106 -53.3440 107 -52.5665 108 -52.8829 109 -52.7273 110 -52.5284
111 -53.1322 112 -52.4192 113 -51.5995 114 -54.5316 115 -52.8284
116 -53.7393 117 -53.1754 118 -52.6501 119 -53.3530 120 -52.8723
121 -52.7890 122 -53.1632 123 -52.6538 124 -53.1186 125 -52.6299
126 -53.6014 127 -53.3835 128 -54.0582 129 -75.3052 130 -75.0440
131 -75.2951 132 -75.4255 133 -75.0655 134 -75.3757 135 -74.9157
136 -75.2213 137 -75.6989 138 -76.5097 139 -75.1838 140 -74.9494
141 -75.5606 142 -75.5553 143 -74.6234 144 -75.6788 145 -75.9766
146 -75.6555 147 -75.9794 148 -77.2920 149 -76.0927 150 -75.5473
151 -75.5176 152 -75.3305 153 -75.1236 154 -75.2186 155 -75.5462
156 -75.5380 157 -75.2801 158 -75.6399 159 -75.5642 160 -75.4324
161 -74.3856 162 -75.1625 163 -71.5217 164 -74.4257 165 -74.9822
166 -74.9925 167 -75.3219 168 -74.8464 169 -75.4020 170 -75.0086
171 -75.2513 172 -74.8961 173 -75.2576 174 -74.9253 175 -75.1545
176 -75.1182 177 -74.6740 178 -73.5299 179 -76.0590 180 -76.0015
181 -76.1021 182 -77.2478 183 -75.6444 184 -75.5270 185 -75.1865
186 -75.4029 187 -75.0879 188 -75.3706 189 -74.1792 190 -75.8353
191 -76.4990 192 -75.7134 193 -74.8917 194 -75.5057 195 -75.0231
196 -75.3956 197 -75.4676 198 -75.4149 199 -75.4984 200 -75.3692
201 -75.2674 202 -75.1155 203 -75.4776 204 -75.4163 205 -75.4267
206 -75.3663 207 -75.1688 208 -75.6334 209 -75.5850 210 -75.3847
211 -75.4251 212 -75.5152 213 -75.3747 214 -75.3237 215 -75.5265
216 -75.1567 217 -36.7708 218 -35.8233 219 -35.1589 220 -36.9827
221 -35.7618 222 -37.0761 223 -35.1563 224 -35.0568 225 -35.4624
226 -34.9191 227 -33.9902 228 -35.2898 229 -37.6140 230 -35.2356
231 -35.4258 232 -35.4066 233 -36.6586 234 -36.6415 235 -35.6070
236 -36.0148 237 -35.4139 238 -37.6580 239 -37.9884 240 -36.9215
241 -37.1725 242 -36.7172 243 -37.0866 244 -37.0197 245 -37.0330
246 -36.5781 247 -36.7963 248 -37.2189 249 -37.0880 250 -36.5682
251 -36.8860 252 -36.9067 253 -37.0788 254 -36.1901 255 -36.1424
256 -36.8753 257 -37.0016 258 -36.4602 259 -37.1369 260 -36.0729
261 -37.3318 262 -38.0751 263 -36.8568 264 -37.2376 265 -36.9842
266 -37.1102 267 -37.1624 268 -37.0169 269 -36.8389 270 -37.2123
271 -37.2957 272 -36.9436 273 -37.7380 274 -37.9392 275 -36.9799
276 -37.1849 277 -36.8335 278 -37.2244 279 -36.9549 280 -37.0554
281 -36.5004 282 -36.6049 283 -37.2395 284 -37.0876 285 -36.7380
286 -36.8069 287 -36.8255 288 -37.1059 289 -36.1692 290 -36.6220
291 -36.8850 292 -37.0008 293 -36.3610 294 -37.0583 295 -36.1044
296 -37.4002 297 -38.2234 298 -36.9026 299 -37.1111 300 -36.9174
301 -37.1149 302 -37.2741 303 -37.0159 304 -36.9945 305 -37.1702
306 -37.4103 307 -37.1629 308 -36.5687 309 -36.5479 310 -36.6618
311 -36.7744 312 -36.7221 313 -36.7969 314 -36.5942 315 -36.6153
316 -36.6557 317 -36.3212 318 -36.1846 319 -36.4985 320 -37.0526
321 -36.9607 322 -37.1335 323 -36.3465 324 -36.4455 325 -36.4123
326 -35.5501 327 -35.5356 328 -35.5294 329 -37.6908 330 -38.0704
331 -38.0287 332 -36.8440 333 -36.7033 334 -36.8269 335 -37.5669
336 -37.4388 337 -37.1831 338 -37.1287 339 -37.1295 340 -37.2931
341 -36.4922 342 -36.5806 343 -36.4550 344 -37.1609 345 -37.2078
346 -37.2482 347 -36.6554 348 -36.6698 349 -36.6244 350 -36.6864
351 -36.6062 352 -36.5395 353 -37.0045 354 -36.9504 355 -36.9266
356 -36.5364 357 -36.6332 358 -36.4904 359 -36.8501 360 -36.8599
361 -37.0044 362 -36.4365 363 -36.5253 364 -36.5006 365 -37.3990
366 -37.5974 367 -37.5286 368 -37.1301 369 -37.1965 370 -37.3167
371 -39.2002 372 -36.7022 373 -37.0089 374 -39.7478 375 -39.5584
376 -38.9481 377 -39.7406 378 -36.3331 379 -36.4874 380 -36.1917
E-fermi : 0.8023 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.8022868005
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6495 2.00000
2 -21.2108 2.00000
3 -20.6545 2.00000
4 -20.5260 2.00000
5 -20.5025 2.00000
6 -20.4012 2.00000
7 -20.3374 2.00000
8 -20.2641 2.00000
9 -20.2454 2.00000
10 -20.2096 2.00000
11 -20.1872 2.00000
12 -20.1578 2.00000
13 -20.1442 2.00000
14 -20.1002 2.00000
15 -20.0967 2.00000
16 -20.0734 2.00000
17 -20.0176 2.00000
18 -19.9193 2.00000
19 -19.8718 2.00000
20 -19.8291 2.00000
21 -19.8009 2.00000
22 -19.7743 2.00000
23 -19.7381 2.00000
24 -19.7201 2.00000
25 -19.6964 2.00000
26 -19.6772 2.00000
27 -19.6618 2.00000
28 -19.6395 2.00000
29 -19.6205 2.00000
30 -19.6121 2.00000
31 -19.5819 2.00000
32 -19.5628 2.00000
33 -19.5133 2.00000
34 -19.4821 2.00000
35 -19.4675 2.00000
36 -19.4453 2.00000
37 -19.4219 2.00000
38 -19.4000 2.00000
39 -19.3515 2.00000
40 -19.3290 2.00000
41 -19.3071 2.00000
42 -19.2995 2.00000
43 -19.2857 2.00000
44 -19.2773 2.00000
45 -19.2317 2.00000
46 -19.2273 2.00000
47 -19.1927 2.00000
48 -19.1857 2.00000
49 -19.1796 2.00000
50 -19.1437 2.00000
51 -19.1371 2.00000
52 -19.1216 2.00000
53 -19.1075 2.00000
54 -19.0850 2.00000
55 -19.0662 2.00000
56 -19.0476 2.00000
57 -19.0324 2.00000
58 -19.0218 2.00000
59 -19.0086 2.00000
60 -18.9809 2.00000
61 -18.9642 2.00000
62 -18.9507 2.00000
63 -18.9454 2.00000
64 -18.9374 2.00000
65 -18.9031 2.00000
66 -18.8610 2.00000
67 -18.8587 2.00000
68 -18.8524 2.00000
69 -18.8495 2.00000
70 -18.7912 2.00000
71 -18.7891 2.00000
72 -18.7759 2.00000
73 -18.7649 2.00000
74 -18.7303 2.00000
75 -18.6981 2.00000
76 -18.6623 2.00000
77 -18.6463 2.00000
78 -18.6276 2.00000
79 -18.6113 2.00000
80 -18.5782 2.00000
81 -18.4865 2.00000
82 -18.3661 2.00000
83 -18.3347 2.00000
84 -18.3026 2.00000
85 -18.0579 2.00000
86 -17.9732 2.00000
87 -17.1827 2.00000
88 -15.1341 2.00000
89 -13.6180 2.00000
90 -13.5500 2.00000
91 -13.2324 2.00000
92 -13.0485 2.00000
93 -12.9483 2.00000
94 -12.8510 2.00000
95 -12.7736 2.00000
96 -12.7407 2.00000
97 -12.7334 2.00000
98 -12.6741 2.00000
99 -12.6257 2.00000
100 -12.5631 2.00000
101 -12.5237 2.00000
102 -12.4857 2.00000
103 -12.4623 2.00000
104 -12.4199 2.00000
105 -12.3998 2.00000
106 -12.3701 2.00000
107 -12.3408 2.00000
108 -12.3103 2.00000
109 -12.2865 2.00000
110 -12.2688 2.00000
111 -12.2286 2.00000
112 -12.2204 2.00000
113 -12.1949 2.00000
114 -12.1460 2.00000
115 -12.1387 2.00000
116 -12.1064 2.00000
117 -12.1037 2.00000
118 -12.0637 2.00000
119 -12.0461 2.00000
120 -11.9967 2.00000
121 -11.9803 2.00000
122 -11.9451 2.00000
123 -11.9165 2.00000
124 -11.9130 2.00000
125 -11.8861 2.00000
126 -11.8671 2.00000
127 -11.8447 2.00000
128 -11.8312 2.00000
129 -11.8273 2.00000
130 -11.7853 2.00000
131 -11.7604 2.00000
132 -11.7316 2.00000
133 -11.7207 2.00000
134 -11.6798 2.00000
135 -11.6167 2.00000
136 -11.6020 2.00000
137 -11.5927 2.00000
138 -11.5757 2.00000
139 -11.5184 2.00000
140 -11.5129 2.00000
141 -11.4452 2.00000
142 -11.4100 2.00000
143 -11.3922 2.00000
144 -11.3265 2.00000
145 -11.1670 2.00000
146 -11.0523 2.00000
147 -11.0486 2.00000
148 -10.6320 2.00000
149 -10.4849 2.00000
150 -10.3833 2.00000
151 -10.1422 2.00000
152 -10.0948 2.00000
153 -10.0600 2.00000
154 -9.8790 2.00000
155 -9.8291 2.00000
156 -9.8127 2.00000
157 -9.7734 2.00000
158 -9.6472 2.00000
159 -9.5932 2.00000
160 -9.4838 2.00000
161 -9.4719 2.00000
162 -9.3978 2.00000
163 -9.3753 2.00000
164 -9.3352 2.00000
165 -9.3033 2.00000
166 -9.1959 2.00000
167 -9.1801 2.00000
168 -9.1591 2.00000
169 -9.0749 2.00000
170 -8.9833 2.00000
171 -8.9669 2.00000
172 -8.9197 2.00000
173 -8.8787 2.00000
174 -8.8324 2.00000
175 -8.7994 2.00000
176 -8.7288 2.00000
177 -8.6921 2.00000
178 -8.6468 2.00000
179 -8.5832 2.00000
180 -8.4474 2.00000
181 -8.4003 2.00000
182 -8.3272 2.00000
183 -8.2753 2.00000
184 -8.2160 2.00000
185 -8.1845 2.00000
186 -8.1653 2.00000
187 -8.0948 2.00000
188 -8.0784 2.00000
189 -8.0278 2.00000
190 -7.9756 2.00000
191 -7.9578 2.00000
192 -7.9121 2.00000
193 -7.8358 2.00000
194 -7.7767 2.00000
195 -7.7347 2.00000
196 -7.6976 2.00000
197 -7.6601 2.00000
198 -7.6279 2.00000
199 -7.5870 2.00000
200 -7.5686 2.00000
201 -7.5384 2.00000
202 -7.5106 2.00000
203 -7.4765 2.00000
204 -7.4322 2.00000
205 -7.4074 2.00000
206 -7.3345 2.00000
207 -7.3319 2.00000
208 -7.2859 2.00000
209 -7.2611 2.00000
210 -7.2416 2.00000
211 -7.2003 2.00000
212 -7.1812 2.00000
213 -7.1428 2.00000
214 -7.1191 2.00000
215 -7.0844 2.00000
216 -7.0458 2.00000
217 -7.0208 2.00000
218 -6.9826 2.00000
219 -6.9573 2.00000
220 -6.9209 2.00000
221 -6.8819 2.00000
222 -6.8076 2.00000
223 -6.7803 2.00000
224 -6.7431 2.00000
225 -6.7013 2.00000
226 -6.6861 2.00000
227 -6.6803 2.00000
228 -6.6595 2.00000
229 -6.6445 2.00000
230 -6.5979 2.00000
231 -6.5838 2.00000
232 -6.5265 2.00000
233 -6.4968 2.00000
234 -6.4785 2.00000
235 -6.3954 2.00000
236 -6.3633 2.00000
237 -6.3204 2.00000
238 -6.2951 2.00000
239 -6.2181 2.00000
240 -6.1813 2.00000
241 -6.1522 2.00000
242 -6.1204 2.00000
243 -6.0958 2.00000
244 -6.0703 2.00000
245 -6.0432 2.00000
246 -6.0327 2.00000
247 -6.0050 2.00000
248 -5.9966 2.00000
249 -5.9560 2.00000
250 -5.9032 2.00000
251 -5.8800 2.00000
252 -5.8476 2.00000
253 -5.8207 2.00000
254 -5.7797 2.00000
255 -5.7710 2.00000
256 -5.7522 2.00000
257 -5.7393 2.00000
258 -5.7284 2.00000
259 -5.7123 2.00000
260 -5.7048 2.00000
261 -5.6860 2.00000
262 -5.6565 2.00000
263 -5.6372 2.00000
264 -5.6201 2.00000
265 -5.6031 2.00000
266 -5.5777 2.00000
267 -5.5686 2.00000
268 -5.5385 2.00000
269 -5.5223 2.00000
270 -5.5155 2.00000
271 -5.4917 2.00000
272 -5.4763 2.00000
273 -5.4538 2.00000
274 -5.4438 2.00000
275 -5.4328 2.00000
276 -5.4263 2.00000
277 -5.4044 2.00000
278 -5.3980 2.00000
279 -5.3819 2.00000
280 -5.3545 2.00000
281 -5.3449 2.00000
282 -5.3139 2.00000
283 -5.2970 2.00000
284 -5.2845 2.00000
285 -5.2770 2.00000
286 -5.2648 2.00000
287 -5.2528 2.00000
288 -5.2368 2.00000
289 -5.2260 2.00000
290 -5.2118 2.00000
291 -5.2002 2.00000
292 -5.1834 2.00000
293 -5.1829 2.00000
294 -5.1706 2.00000
295 -5.1505 2.00000
296 -5.1444 2.00000
297 -5.1374 2.00000
298 -5.1163 2.00000
299 -5.0937 2.00000
300 -5.0862 2.00000
301 -5.0741 2.00000
302 -5.0691 2.00000
303 -5.0531 2.00000
304 -5.0443 2.00000
305 -5.0257 2.00000
306 -5.0144 2.00000
307 -4.9976 2.00000
308 -4.9913 2.00000
309 -4.9762 2.00000
310 -4.9551 2.00000
311 -4.9449 2.00000
312 -4.9254 2.00000
313 -4.9229 2.00000
314 -4.9133 2.00000
315 -4.8904 2.00000
316 -4.8829 2.00000
317 -4.8742 2.00000
318 -4.8614 2.00000
319 -4.8498 2.00000
320 -4.8352 2.00000
321 -4.8270 2.00000
322 -4.8151 2.00000
323 -4.8067 2.00000
324 -4.8039 2.00000
325 -4.7871 2.00000
326 -4.7724 2.00000
327 -4.7630 2.00000
328 -4.7454 2.00000
329 -4.7406 2.00000
330 -4.7281 2.00000
331 -4.7161 2.00000
332 -4.7136 2.00000
333 -4.7024 2.00000
334 -4.6847 2.00000
335 -4.6766 2.00000
336 -4.6662 2.00000
337 -4.6625 2.00000
338 -4.6357 2.00000
339 -4.6208 2.00000
340 -4.6159 2.00000
341 -4.6046 2.00000
342 -4.5905 2.00000
343 -4.5722 2.00000
344 -4.5544 2.00000
345 -4.5486 2.00000
346 -4.5367 2.00000
347 -4.5177 2.00000
348 -4.5052 2.00000
349 -4.4853 2.00000
350 -4.4762 2.00000
351 -4.4668 2.00000
352 -4.4551 2.00000
353 -4.4431 2.00000
354 -4.4382 2.00000
355 -4.4306 2.00000
356 -4.4139 2.00000
357 -4.4013 2.00000
358 -4.3873 2.00000
359 -4.3773 2.00000
360 -4.3681 2.00000
361 -4.3568 2.00000
362 -4.3409 2.00000
363 -4.3300 2.00000
364 -4.3167 2.00000
365 -4.3045 2.00000
366 -4.2785 2.00000
367 -4.2704 2.00000
368 -4.2568 2.00000
369 -4.2358 2.00000
370 -4.2286 2.00000
371 -4.2208 2.00000
372 -4.2063 2.00000
373 -4.1926 2.00000
374 -4.1749 2.00000
375 -4.1549 2.00000
376 -4.1449 2.00000
377 -4.1366 2.00000
378 -4.1257 2.00000
379 -4.1141 2.00000
380 -4.1068 2.00000
381 -4.1026 2.00000
382 -4.0681 2.00000
383 -4.0586 2.00000
384 -4.0496 2.00000
385 -4.0379 2.00000
386 -4.0248 2.00000
387 -4.0183 2.00000
388 -4.0054 2.00000
389 -3.9818 2.00000
390 -3.9790 2.00000
391 -3.9688 2.00000
392 -3.9520 2.00000
393 -3.9350 2.00000
394 -3.9195 2.00000
395 -3.8996 2.00000
396 -3.8943 2.00000
397 -3.8849 2.00000
398 -3.8680 2.00000
399 -3.8637 2.00000
400 -3.8478 2.00000
401 -3.8399 2.00000
402 -3.8288 2.00000
403 -3.8019 2.00000
404 -3.7959 2.00000
405 -3.7709 2.00000
406 -3.7702 2.00000
407 -3.7556 2.00000
408 -3.7366 2.00000
409 -3.7168 2.00000
410 -3.7055 2.00000
411 -3.7016 2.00000
412 -3.6940 2.00000
413 -3.6853 2.00000
414 -3.6753 2.00000
415 -3.6669 2.00000
416 -3.6467 2.00000
417 -3.6365 2.00000
418 -3.6343 2.00000
419 -3.6210 2.00000
420 -3.6056 2.00000
421 -3.5968 2.00000
422 -3.5877 2.00000
423 -3.5670 2.00000
424 -3.5489 2.00000
425 -3.5302 2.00000
426 -3.5160 2.00000
427 -3.5130 2.00000
428 -3.5045 2.00000
429 -3.4783 2.00000
430 -3.4641 2.00000
431 -3.4574 2.00000
432 -3.4433 2.00000
433 -3.4289 2.00000
434 -3.4237 2.00000
435 -3.4114 2.00000
436 -3.3994 2.00000
437 -3.3975 2.00000
438 -3.3658 2.00000
439 -3.3626 2.00000
440 -3.3534 2.00000
441 -3.3299 2.00000
442 -3.3188 2.00000
443 -3.3131 2.00000
444 -3.2839 2.00000
445 -3.2623 2.00000
446 -3.2618 2.00000
447 -3.2492 2.00000
448 -3.2279 2.00000
449 -3.2226 2.00000
450 -3.2174 2.00000
451 -3.2057 2.00000
452 -3.1864 2.00000
453 -3.1790 2.00000
454 -3.1752 2.00000
455 -3.1485 2.00000
456 -3.1460 2.00000
457 -3.1391 2.00000
458 -3.1215 2.00000
459 -3.1103 2.00000
460 -3.0960 2.00000
461 -3.0789 2.00000
462 -3.0708 2.00000
463 -3.0634 2.00000
464 -3.0613 2.00000
465 -3.0524 2.00000
466 -3.0389 2.00000
467 -3.0259 2.00000
468 -3.0217 2.00000
469 -3.0200 2.00000
470 -2.9964 2.00000
471 -2.9944 2.00000
472 -2.9805 2.00000
473 -2.9645 2.00000
474 -2.9514 2.00000
475 -2.9369 2.00000
476 -2.9150 2.00000
477 -2.9102 2.00000
478 -2.8914 2.00000
479 -2.8850 2.00000
480 -2.8793 2.00000
481 -2.8697 2.00000
482 -2.8562 2.00000
483 -2.8258 2.00000
484 -2.8228 2.00000
485 -2.8178 2.00000
486 -2.8004 2.00000
487 -2.7809 2.00000
488 -2.7615 2.00000
489 -2.7598 2.00000
490 -2.7545 2.00000
491 -2.7465 2.00000
492 -2.7290 2.00000
493 -2.7209 2.00000
494 -2.7064 2.00000
495 -2.7058 2.00000
496 -2.6920 2.00000
497 -2.6866 2.00000
498 -2.6694 2.00000
499 -2.6652 2.00000
500 -2.6498 2.00000
501 -2.6429 2.00000
502 -2.6190 2.00000
503 -2.6029 2.00000
504 -2.6004 2.00000
505 -2.5828 2.00000
506 -2.5709 2.00000
507 -2.5650 2.00000
508 -2.5402 2.00000
509 -2.5325 2.00000
510 -2.5272 2.00000
511 -2.5220 2.00000
512 -2.5039 2.00000
513 -2.4953 2.00000
514 -2.4829 2.00000
515 -2.4710 2.00000
516 -2.4566 2.00000
517 -2.4444 2.00000
518 -2.4227 2.00000
519 -2.4123 2.00000
520 -2.4071 2.00000
521 -2.3959 2.00000
522 -2.3878 2.00000
523 -2.3761 2.00000
524 -2.3677 2.00000
525 -2.3534 2.00000
526 -2.3445 2.00000
527 -2.3362 2.00000
528 -2.3288 2.00000
529 -2.3081 2.00000
530 -2.3011 2.00000
531 -2.2912 2.00000
532 -2.2779 2.00000
533 -2.2668 2.00000
534 -2.2475 2.00000
535 -2.2406 2.00000
536 -2.2235 2.00000
537 -2.2196 2.00000
538 -2.2105 2.00000
539 -2.1976 2.00000
540 -2.1937 2.00000
541 -2.1784 2.00000
542 -2.1660 2.00000
543 -2.1439 2.00000
544 -2.1358 2.00000
545 -2.1153 2.00000
546 -2.1098 2.00000
547 -2.0963 2.00000
548 -2.0845 2.00000
549 -2.0654 2.00000
550 -2.0505 2.00000
551 -2.0452 2.00000
552 -2.0292 2.00000
553 -2.0201 2.00000
554 -2.0035 2.00000
555 -1.9892 2.00000
556 -1.9649 2.00000
557 -1.9512 2.00000
558 -1.9352 2.00000
559 -1.9154 2.00000
560 -1.9068 2.00000
561 -1.8901 2.00000
562 -1.8691 2.00000
563 -1.8477 2.00000
564 -1.8347 2.00000
565 -1.8117 2.00000
566 -1.8043 2.00000
567 -1.7775 2.00000
568 -1.7713 2.00000
569 -1.7458 2.00000
570 -1.7289 2.00000
571 -1.6884 2.00000
572 -1.6831 2.00000
573 -1.6620 2.00000
574 -1.6493 2.00000
575 -1.6187 2.00000
576 -1.6097 2.00000
577 -1.5799 2.00000
578 -1.5626 2.00000
579 -1.5434 2.00000
580 -1.5343 2.00000
581 -1.5185 2.00000
582 -1.4806 2.00000
583 -1.4447 2.00000
584 -1.4223 2.00000
585 -1.4029 2.00000
586 -1.3724 2.00000
587 -1.3393 2.00000
588 -1.3236 2.00000
589 -1.3020 2.00000
590 -1.2594 2.00000
591 -1.2337 2.00000
592 -1.1934 2.00000
593 -1.1654 2.00000
594 -1.0924 2.00000
595 -1.0589 2.00000
596 -0.9706 2.00000
597 -0.8631 2.00000
598 -0.6273 2.00000
599 -0.1753 2.00000
600 0.2490 2.00065
601 0.6231 2.02142
602 0.6431 1.97793
603 1.7702 -0.00000
604 2.1156 -0.00000
605 2.4400 -0.00000
606 3.0957 -0.00000
607 3.1353 -0.00000
608 3.2772 -0.00000
609 3.4483 -0.00000
610 3.7453 -0.00000
611 3.8473 -0.00000
612 3.9148 -0.00000
613 3.9901 -0.00000
614 4.0096 -0.00000
615 4.0912 -0.00000
616 4.1442 -0.00000
617 4.1786 -0.00000
618 4.2756 -0.00000
619 4.2931 -0.00000
620 4.3248 -0.00000
621 4.3720 -0.00000
622 4.4167 -0.00000
623 4.4715 -0.00000
624 4.4762 -0.00000
625 4.5115 -0.00000
626 4.5239 -0.00000
627 4.5841 -0.00000
628 4.6249 -0.00000
629 4.6412 -0.00000
630 4.6553 -0.00000
631 4.6727 -0.00000
632 4.7010 -0.00000
633 4.7299 -0.00000
634 4.7411 -0.00000
635 4.7701 -0.00000
636 4.7964 -0.00000
637 4.8052 -0.00000
638 4.8365 -0.00000
639 4.8605 -0.00000
640 4.8773 -0.00000
641 4.9115 -0.00000
642 4.9275 -0.00000
643 4.9669 -0.00000
644 4.9900 -0.00000
645 5.0249 -0.00000
646 5.0333 -0.00000
647 5.0532 -0.00000
648 5.0626 -0.00000
649 5.1067 -0.00000
650 5.1317 -0.00000
651 5.1403 -0.00000
652 5.1537 -0.00000
653 5.1589 -0.00000
654 5.2038 -0.00000
655 5.2123 -0.00000
656 5.2307 -0.00000
657 5.2409 -0.00000
658 5.2776 -0.00000
659 5.2965 -0.00000
660 5.3144 -0.00000
661 5.3267 -0.00000
662 5.3354 -0.00000
663 5.3634 -0.00000
664 5.3889 -0.00000
665 5.4116 -0.00000
666 5.4250 -0.00000
667 5.4362 -0.00000
668 5.4470 -0.00000
669 5.4482 -0.00000
670 5.4766 -0.00000
671 5.5135 -0.00000
672 5.5192 -0.00000
673 5.5291 -0.00000
674 5.5580 -0.00000
675 5.5640 -0.00000
676 5.5927 -0.00000
677 5.6070 -0.00000
678 5.6342 -0.00000
679 5.6374 -0.00000
680 5.6588 -0.00000
681 5.6709 -0.00000
682 5.6788 -0.00000
683 5.7104 -0.00000
684 5.7131 -0.00000
685 5.7270 -0.00000
686 5.7431 -0.00000
687 5.7588 -0.00000
688 5.7692 -0.00000
689 5.8023 -0.00000
690 5.8071 -0.00000
691 5.8315 -0.00000
692 5.8415 -0.00000
693 5.8538 -0.00000
694 5.8727 -0.00000
695 5.8803 -0.00000
696 5.9029 -0.00000
697 5.9137 -0.00000
698 5.9374 -0.00000
699 5.9524 -0.00000
700 5.9549 -0.00000
701 5.9606 -0.00000
702 6.0023 -0.00000
703 6.0149 -0.00000
704 6.0302 -0.00000
705 6.0491 -0.00000
706 6.0556 -0.00000
707 6.0632 -0.00000
708 6.0876 -0.00000
709 6.0943 -0.00000
710 6.1016 -0.00000
711 6.1245 -0.00000
712 6.1376 0.00000
713 6.1511 0.00000
714 6.1706 0.00000
715 6.1771 0.00000
716 6.1971 0.00000
717 6.2002 0.00000
718 6.2163 0.00000
719 6.2302 0.00000
720 6.2628 0.00000
721 6.2643 0.00000
722 6.2811 0.00000
723 6.3017 0.00000
724 6.3033 0.00000
725 6.3216 0.00000
726 6.3462 0.00000
727 6.3589 0.00000
728 6.3677 0.00000
729 6.3786 0.00000
730 6.3870 0.00000
731 6.4131 0.00000
732 6.4268 0.00000
733 6.4433 0.00000
734 6.4533 0.00000
735 6.4635 0.00000
736 6.4813 0.00000
737 6.4929 0.00000
738 6.5012 0.00000
739 6.5170 0.00000
740 6.5394 0.00000
741 6.5466 0.00000
742 6.5603 0.00000
743 6.5795 0.00000
744 6.5935 0.00000
745 6.6159 0.00000
746 6.6210 0.00000
747 6.6270 0.00000
748 6.6357 0.00000
749 6.6533 0.00000
750 6.6776 0.00000
751 6.6785 0.00000
752 6.6978 0.00000
753 6.7075 0.00000
754 6.7291 0.00000
755 6.7408 0.00000
756 6.7510 0.00000
757 6.7710 0.00000
758 6.7824 0.00000
759 6.7997 0.00000
760 6.8110 0.00000
761 6.8157 0.00000
762 6.8405 0.00000
763 6.8507 0.00000
764 6.8621 0.00000
765 6.8722 0.00000
766 6.8781 0.00000
767 6.9001 0.00000
768 6.9075 0.00000
769 6.9376 0.00000
770 6.9484 0.00000
771 6.9629 0.00000
772 6.9726 0.00000
773 6.9780 0.00000
774 6.9950 0.00000
775 7.0162 0.00000
776 7.0228 0.00000
777 7.0394 0.00000
778 7.0493 0.00000
779 7.0664 0.00000
780 7.0887 0.00000
781 7.0906 0.00000
782 7.1115 0.00000
783 7.1166 0.00000
784 7.1415 0.00000
785 7.1440 0.00000
786 7.1517 0.00000
787 7.1607 0.00000
788 7.1907 0.00000
789 7.1964 0.00000
790 7.1999 0.00000
791 7.2093 0.00000
792 7.2362 0.00000
793 7.2454 0.00000
794 7.2469 0.00000
795 7.2681 0.00000
796 7.2883 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.479 -3.323 0.121 -0.984 -1.050 -0.049 0.386 0.452
-3.323 1.621 -0.109 0.559 0.850 0.039 -0.208 -0.330
0.121 -0.109 3.290 0.097 -0.266 -0.839 -0.019 0.059
-0.984 0.559 0.097 3.620 0.603 -0.019 -0.935 -0.296
-1.050 0.850 -0.266 0.603 4.398 0.059 -0.291 -1.326
-0.049 0.039 -0.839 -0.019 0.059 0.223 0.003 -0.012
0.386 -0.208 -0.019 -0.935 -0.291 0.003 0.257 0.123
0.452 -0.330 0.059 -0.296 -1.326 -0.012 0.123 0.418
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5224.11288 -8296.55322 -4995.17487 649.26514 -1719.72922 952.81037
Hartree 12985.33538 10485.18475 12477.63981 416.27878 -1722.40325 481.08754
E(xc) -4966.59773 -4968.23948 -4965.31495 1.45664 0.59888 1.27854
Local -22714.44226-17186.48966-22356.94689 -1031.81558 3494.65830 -1361.86747
n-local -578.21946 -581.39636 -542.71875 -12.36641 -3.82028 5.47926
augment 254.66920 256.65196 245.93345 0.64765 -2.24092 -4.70430
Kinetic 19036.13195 19118.93263 18897.76179 -20.02189 -37.05973 -93.83222
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.5989137 -162.2724958 -229.1835363 3.4443315 10.0037713 -19.7482757
in kB -62.7632575 -51.5425427 -72.7954676 1.0940215 3.1774935 -6.2726363
external PRESSURE = -62.3670893 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.128E+03 -.239E+02 -.336E+02 0.133E+03 0.230E+02 0.286E+02 -.451E+01 0.914E+00 0.505E+01 0.132E-02 -.867E-03 0.144E-02
0.742E+02 0.481E+01 0.113E+02 -.753E+02 -.605E+00 -.104E+02 0.113E+01 -.420E+01 -.908E+00 -.305E-02 -.567E-03 -.149E-02
-.458E+02 0.480E+02 -.163E+02 0.488E+02 -.493E+02 0.214E+02 -.294E+01 0.129E+01 -.506E+01 0.541E-03 -.221E-03 -.334E-04
0.636E+02 -.203E+02 0.542E+02 -.602E+02 0.245E+02 -.493E+02 -.340E+01 -.420E+01 -.494E+01 -.115E-02 -.145E-02 -.872E-03
-.411E+02 -.172E+02 0.249E+02 0.415E+02 0.170E+02 -.266E+02 -.469E+00 0.171E+00 0.170E+01 0.192E-02 -.140E-02 -.176E-02
0.726E+02 -.303E+01 -.105E+03 -.755E+02 0.469E+01 0.110E+03 0.292E+01 -.166E+01 -.537E+01 0.948E-03 -.356E-03 -.278E-04
0.388E+02 -.613E+02 -.819E+02 -.365E+02 0.605E+02 0.794E+02 -.231E+01 0.817E+00 0.259E+01 0.266E-03 0.703E-03 -.193E-03
0.180E+01 -.753E+02 -.130E+01 0.273E+01 0.750E+02 -.915E+00 -.456E+01 0.280E+00 0.221E+01 0.198E-02 0.882E-03 0.869E-03
-.957E+02 -.177E+02 0.209E+02 0.102E+03 0.229E+02 -.221E+02 -.602E+01 -.524E+01 0.126E+01 -.194E-03 -.432E-03 0.615E-03
0.153E+02 -.344E+02 -.455E+02 -.168E+02 0.309E+02 0.478E+02 0.151E+01 0.353E+01 -.227E+01 -.620E-03 0.185E-03 -.167E-03
-.459E+02 0.124E+02 0.607E+02 0.474E+02 -.135E+02 -.626E+02 -.148E+01 0.109E+01 0.192E+01 -.330E-03 0.120E-02 0.168E-02
0.858E+02 -.846E+02 -.151E+02 -.883E+02 0.904E+02 0.156E+02 0.243E+01 -.576E+01 -.432E+00 0.230E-02 0.863E-03 0.627E-03
-.554E+02 -.962E+02 -.126E+02 0.561E+02 0.989E+02 0.117E+02 -.736E+00 -.266E+01 0.882E+00 -.103E-03 0.382E-03 -.170E-03
0.279E+02 0.108E+01 -.555E+02 -.324E+02 -.142E+01 0.605E+02 0.451E+01 0.343E+00 -.500E+01 0.980E-03 0.988E-04 -.534E-03
0.567E+02 -.314E+02 0.658E+02 -.579E+02 0.338E+02 -.621E+02 0.121E+01 -.239E+01 -.367E+01 0.143E-02 -.142E-02 -.385E-03
-.657E+02 0.352E+02 0.188E+02 0.708E+02 -.410E+02 -.179E+02 -.519E+01 0.579E+01 -.848E+00 0.256E-02 0.192E-02 0.145E-02
-.609E+01 0.110E+03 0.149E+02 0.437E+01 -.120E+03 -.168E+02 0.176E+01 0.970E+01 0.187E+01 -.299E-02 0.549E-03 -.758E-03
-.447E+01 -.468E+02 -.331E+01 -.558E+01 0.474E+02 0.416E+01 0.101E+02 -.574E+00 -.873E+00 0.201E-02 0.334E-03 0.164E-02
0.309E+02 0.192E+02 0.108E+03 -.297E+02 -.191E+02 -.103E+03 -.118E+01 -.903E-01 -.415E+01 0.139E-02 -.157E-03 -.218E-02
-.185E+02 0.782E+02 0.288E+02 0.168E+02 -.709E+02 -.327E+02 0.172E+01 -.738E+01 0.391E+01 0.235E-02 0.323E-03 -.146E-02
0.104E+03 -.412E+02 0.377E+02 -.102E+03 0.397E+02 -.383E+02 -.134E+01 0.150E+01 0.639E+00 0.420E-03 0.676E-03 -.756E-03
-.494E+02 0.400E+02 -.792E+02 0.542E+02 -.428E+02 0.793E+02 -.471E+01 0.273E+01 -.946E-01 -.498E-03 -.647E-03 -.445E-03
0.699E+02 0.942E+02 -.872E+02 -.735E+02 -.957E+02 0.870E+02 0.354E+01 0.149E+01 0.173E+00 0.163E-02 0.239E-03 -.357E-03
0.544E+02 0.803E+01 -.186E+03 -.537E+02 -.693E+01 0.189E+03 -.747E+00 -.111E+01 -.288E+01 0.890E-03 0.722E-03 0.554E-04
-.839E+02 -.902E+01 -.900E+01 0.861E+02 0.109E+02 0.117E+02 -.222E+01 -.189E+01 -.270E+01 -.161E-02 0.159E-02 0.196E-02
0.232E+02 0.251E+02 0.718E+02 -.242E+02 -.178E+02 -.664E+02 0.991E+00 -.728E+01 -.542E+01 -.154E-02 0.321E-03 -.168E-02
-.933E+02 0.586E+01 0.704E+02 0.984E+02 -.357E+01 -.753E+02 -.516E+01 -.228E+01 0.491E+01 -.581E-03 0.729E-03 0.189E-03
-.889E+01 0.157E+02 0.878E+01 0.898E+01 -.137E+02 -.629E+01 -.138E+00 -.199E+01 -.250E+01 0.443E-03 0.124E-03 0.649E-03
0.248E+02 -.477E+02 -.900E+02 -.319E+02 0.516E+02 0.889E+02 0.710E+01 -.382E+01 0.111E+01 -.134E-02 0.549E-03 -.656E-03
0.158E+02 -.737E+02 -.660E+02 -.178E+02 0.748E+02 0.685E+02 0.194E+01 -.118E+01 -.249E+01 -.627E-03 0.426E-03 0.184E-02
-.497E+02 -.612E+02 0.346E+02 0.482E+02 0.731E+02 -.251E+02 0.151E+01 -.119E+02 -.952E+01 -.529E-03 -.892E-03 0.851E-03
0.844E+02 0.452E+02 0.723E+02 -.797E+02 -.454E+02 -.747E+02 -.471E+01 0.239E+00 0.241E+01 0.511E-03 0.169E-03 -.872E-03
-.526E+02 0.198E+01 0.285E+02 0.565E+02 -.507E+01 -.261E+02 -.388E+01 0.309E+01 -.233E+01 -.146E-02 0.995E-04 0.324E-03
0.156E+02 -.438E+02 -.213E+02 -.178E+02 0.493E+02 0.168E+02 0.218E+01 -.551E+01 0.455E+01 -.138E-02 -.828E-03 -.158E-02
-.284E+02 -.101E+03 -.666E+02 0.265E+02 0.987E+02 0.651E+02 0.188E+01 0.189E+01 0.146E+01 0.159E-02 -.745E-03 -.134E-02
0.400E+02 -.102E+03 -.454E+02 -.403E+02 0.109E+03 0.501E+02 0.219E+00 -.657E+01 -.469E+01 0.773E-03 -.122E-03 -.759E-03
0.108E+03 0.832E+02 0.811E+02 -.105E+03 -.887E+02 -.834E+02 -.314E+01 0.553E+01 0.228E+01 -.858E-03 -.343E-03 0.128E-02
0.244E+02 0.109E+03 0.212E+02 -.242E+02 -.110E+03 -.202E+02 -.162E+00 0.459E+00 -.936E+00 -.972E-03 0.152E-02 0.135E-02
-.502E+01 -.848E+02 -.718E+02 0.765E+01 0.850E+02 0.695E+02 -.264E+01 -.242E+00 0.232E+01 0.146E-02 -.104E-02 -.232E-03
0.936E+01 0.106E+03 0.561E+02 -.105E+02 -.109E+03 -.594E+02 0.121E+01 0.262E+01 0.327E+01 -.328E-02 -.177E-02 0.169E-02
0.196E+02 0.846E+01 0.132E+03 -.185E+02 -.864E+01 -.136E+03 -.111E+01 0.182E+00 0.383E+01 -.118E-01 0.272E-03 -.172E-02
-.154E+02 0.226E+02 0.424E+02 0.159E+02 -.218E+02 -.409E+02 -.526E+00 -.832E+00 -.152E+01 0.177E-02 0.209E-03 0.114E-02
0.204E+02 0.132E+03 0.337E+02 -.223E+02 -.133E+03 -.266E+02 0.183E+01 0.696E+00 -.706E+01 -.223E-03 -.122E-02 -.480E-03
0.867E+02 -.228E+02 -.103E+03 -.916E+02 0.186E+02 0.106E+03 0.496E+01 0.418E+01 -.271E+01 -.795E-03 -.755E-03 -.103E-02
0.848E+01 0.117E+02 -.155E+02 -.958E+01 -.128E+02 0.158E+02 0.112E+01 0.110E+01 -.361E+00 -.207E-02 -.665E-04 0.163E-02
-.197E+02 -.329E+02 0.109E+02 0.268E+02 0.353E+02 -.128E+02 -.715E+01 -.241E+01 0.182E+01 0.141E-03 0.543E-03 0.121E-02
-.543E+01 -.273E+02 -.861E+01 0.784E+01 0.235E+02 0.359E+01 -.242E+01 0.388E+01 0.503E+01 -.950E-03 -.910E-03 -.279E-02
0.512E+02 -.197E+02 0.608E+02 -.563E+02 0.166E+02 -.592E+02 0.503E+01 0.304E+01 -.153E+01 -.142E-03 -.979E-03 0.105E-03
-.529E+02 -.628E+02 -.171E+02 0.483E+02 0.651E+02 0.218E+02 0.458E+01 -.234E+01 -.474E+01 0.128E-03 0.113E-02 0.104E-03
0.270E+02 0.347E+02 0.453E+02 -.300E+02 -.353E+02 -.419E+02 0.305E+01 0.587E+00 -.334E+01 0.346E-03 -.920E-03 0.769E-03
0.831E+01 0.152E+02 0.605E+02 -.511E+01 -.151E+02 -.597E+02 -.321E+01 -.108E+00 -.808E+00 0.115E-02 0.146E-04 0.124E-02
-.190E+02 -.322E+02 -.220E+02 0.166E+02 0.276E+02 0.274E+02 0.245E+01 0.461E+01 -.541E+01 -.127E-02 -.769E-03 -.545E-03
-.739E+01 -.887E+02 -.318E+02 0.242E+01 0.859E+02 0.373E+02 0.498E+01 0.276E+01 -.545E+01 -.199E-02 -.927E-03 -.938E-05
-.299E+02 -.534E+02 -.800E+02 0.278E+02 0.471E+02 0.859E+02 0.205E+01 0.632E+01 -.593E+01 0.871E-03 0.120E-03 -.790E-03
-.939E+01 -.919E+01 -.135E+02 0.951E+01 0.482E+01 0.139E+02 -.138E+00 0.436E+01 -.364E+00 0.946E-03 0.693E-03 0.160E-02
-.655E+01 -.413E+02 0.775E+02 0.598E+01 0.457E+02 -.790E+02 0.575E+00 -.444E+01 0.152E+01 0.121E-02 0.172E-03 0.129E-02
-.494E+02 -.389E+02 -.617E+02 0.558E+02 0.431E+02 0.617E+02 -.640E+01 -.424E+01 -.147E-01 -.154E-02 -.139E-02 0.649E-03
-.193E+02 0.761E+02 -.586E+02 0.173E+02 -.826E+02 0.605E+02 0.193E+01 0.645E+01 -.194E+01 0.152E-02 0.931E-03 0.408E-04
-.845E+02 0.324E+02 0.962E+02 0.870E+02 -.308E+02 -.977E+02 -.245E+01 -.154E+01 0.148E+01 -.139E-02 0.484E-03 0.195E-03
-.190E+02 0.699E+02 0.490E+02 0.133E+02 -.672E+02 -.501E+02 0.568E+01 -.269E+01 0.115E+01 -.501E-03 0.422E-03 0.248E-03
-.515E+02 0.131E+03 0.211E+02 0.538E+02 -.135E+03 -.229E+02 -.233E+01 0.357E+01 0.180E+01 0.759E-03 0.240E-03 -.218E-03
-.667E+01 0.364E+02 -.100E+03 0.126E+01 -.370E+02 0.104E+03 0.538E+01 0.590E+00 -.337E+01 0.120E-02 -.335E-03 -.237E-02
-.127E+02 0.405E+02 0.113E+02 0.128E+02 -.359E+02 -.186E+02 -.101E+00 -.456E+01 0.733E+01 0.169E-02 0.256E-03 0.139E-02
0.121E+02 0.278E+02 -.161E+02 -.234E+01 -.281E+02 0.169E+02 -.974E+01 0.286E+00 -.821E+00 0.769E-03 0.412E-03 -.248E-02
0.513E+02 0.217E+02 0.162E+02 -.519E+02 -.222E+02 -.166E+02 0.589E+00 0.530E+00 0.460E+00 0.163E-02 -.839E-03 -.595E-03
0.159E+01 0.540E+02 0.870E+02 0.102E+01 -.563E+02 -.819E+02 -.265E+01 0.231E+01 -.504E+01 0.279E-02 -.203E-03 0.168E-02
-.752E+02 -.866E+00 -.784E+01 0.751E+02 0.106E+01 0.156E+01 0.141E+00 -.204E+00 0.628E+01 -.301E-02 0.122E-02 -.622E-03
0.131E+02 -.512E+02 0.179E+02 -.194E+02 0.529E+02 -.113E+02 0.634E+01 -.177E+01 -.663E+01 -.897E-03 0.182E-03 0.416E-03
-.454E+02 0.238E+02 -.445E+02 0.460E+02 -.278E+02 0.460E+02 -.645E+00 0.398E+01 -.155E+01 0.136E-02 0.215E-04 -.373E-03
-.517E+02 -.358E+02 0.687E+01 0.493E+02 0.325E+02 -.997E+01 0.240E+01 0.332E+01 0.310E+01 0.195E-02 -.136E-02 0.148E-02
-.731E+02 -.264E+02 -.835E+01 0.708E+02 0.234E+02 0.953E+01 0.236E+01 0.298E+01 -.118E+01 0.119E-02 -.670E-03 0.116E-02
0.576E+02 -.116E+02 0.526E+02 -.536E+02 0.122E+02 -.517E+02 -.406E+01 -.606E+00 -.890E+00 -.210E-04 -.879E-03 -.982E-03
0.163E+02 -.140E+01 0.238E+02 -.177E+02 -.347E+01 -.240E+02 0.140E+01 0.488E+01 0.212E+00 0.236E-04 -.149E-02 -.109E-02
0.213E+02 -.856E+02 -.259E+02 -.195E+02 0.821E+02 0.290E+02 -.182E+01 0.355E+01 -.309E+01 0.149E-03 -.174E-03 0.845E-03
-.298E+02 -.128E+00 0.152E+02 0.337E+02 0.739E+00 -.162E+02 -.388E+01 -.611E+00 0.992E+00 -.728E-03 -.332E-03 -.133E-03
0.794E+01 0.817E+01 0.279E+02 -.787E+01 -.464E+01 -.247E+02 -.650E-01 -.352E+01 -.321E+01 0.809E-03 0.568E-03 0.952E-03
-.193E+02 -.103E+03 -.429E+02 0.213E+02 0.985E+02 0.413E+02 -.205E+01 0.410E+01 0.162E+01 -.247E-03 0.635E-03 0.494E-03
0.296E+02 -.155E+03 -.125E+03 -.302E+02 0.159E+03 0.130E+03 0.639E+00 -.496E+01 -.484E+01 0.671E-03 0.731E-04 -.624E-03
0.905E+02 0.218E+02 0.769E+02 -.872E+02 -.228E+02 -.746E+02 -.331E+01 0.102E+01 -.230E+01 0.979E-03 -.406E-03 -.984E-03
0.572E+02 0.126E+02 0.567E+02 -.576E+02 -.753E+01 -.537E+02 0.364E+00 -.506E+01 -.301E+01 -.285E-03 -.510E-03 0.855E-03
-.912E+02 -.338E+01 0.506E+02 0.878E+02 0.110E+01 -.496E+02 0.336E+01 0.227E+01 -.927E+00 -.573E-03 0.163E-03 0.500E-03
-.368E+02 0.276E+02 0.951E+01 0.349E+02 -.306E+02 -.135E+02 0.197E+01 0.301E+01 0.399E+01 0.191E-02 0.131E-02 0.125E-02
0.466E+02 0.207E+02 -.568E+02 -.483E+02 -.239E+02 0.532E+02 0.175E+01 0.326E+01 0.363E+01 0.132E-02 0.144E-03 -.189E-03
0.106E+01 0.864E+02 -.572E+02 -.346E+00 -.820E+02 0.587E+02 -.711E+00 -.439E+01 -.147E+01 0.542E-04 0.136E-04 -.890E-03
0.138E+02 -.263E+02 0.262E+02 -.154E+02 0.296E+02 -.315E+02 0.155E+01 -.331E+01 0.534E+01 0.126E-02 0.117E-02 0.628E-03
-.762E+02 -.108E+01 0.322E+02 0.717E+02 0.997E+00 -.300E+02 0.458E+01 0.852E-01 -.211E+01 -.390E-03 0.760E-03 0.591E-03
-.326E+02 -.111E+03 0.189E+02 0.308E+02 0.107E+03 -.178E+02 0.175E+01 0.439E+01 -.101E+01 -.183E-02 -.632E-03 0.833E-03
0.507E+02 -.328E+02 -.115E+03 -.511E+02 0.315E+02 0.113E+03 0.332E+00 0.135E+01 0.177E+01 -.235E-03 0.256E-03 -.597E-03
0.134E+02 -.894E+00 0.183E+02 -.151E+02 0.296E+01 -.215E+02 0.172E+01 -.206E+01 0.323E+01 -.549E-03 -.169E-02 -.327E-03
0.353E+02 -.853E+02 -.347E+02 -.329E+02 0.817E+02 0.301E+02 -.231E+01 0.361E+01 0.459E+01 0.123E-03 0.389E-03 -.128E-03
0.458E+02 0.261E+02 0.169E+01 -.498E+02 -.242E+02 -.135E+00 0.404E+01 -.193E+01 -.155E+01 0.436E-03 -.403E-03 -.160E-03
0.558E+02 0.110E+03 0.488E+01 -.509E+02 -.109E+03 -.336E+01 -.497E+01 -.525E+00 -.152E+01 -.784E-03 -.451E-03 -.384E-03
0.744E+02 -.614E+02 -.109E+03 -.781E+02 0.659E+02 0.117E+03 0.371E+01 -.453E+01 -.730E+01 -.729E-03 -.747E-03 -.743E-03
-.482E+01 0.202E+02 0.605E+02 0.446E+01 -.166E+02 -.575E+02 0.366E+00 -.362E+01 -.300E+01 0.614E-03 -.103E-02 0.636E-03
-.350E+02 -.262E+01 0.916E+01 0.329E+02 0.460E+01 -.524E+01 0.207E+01 -.198E+01 -.392E+01 0.641E-03 -.454E-03 0.938E-03
0.637E+01 -.573E+02 0.207E+02 -.761E+01 0.538E+02 -.232E+02 0.126E+01 0.355E+01 0.249E+01 0.282E-03 -.798E-03 0.402E-03
-.279E+02 -.962E+01 -.684E+01 0.262E+02 0.618E+01 0.113E+02 0.170E+01 0.343E+01 -.442E+01 0.337E-03 0.735E-03 0.198E-02
0.102E+02 -.376E+02 0.274E+02 -.522E+01 0.386E+02 -.283E+02 -.500E+01 -.100E+01 0.941E+00 0.265E-03 0.108E-03 0.254E-03
-.449E+02 -.141E+02 0.353E+02 0.472E+02 0.180E+02 -.392E+02 -.226E+01 -.391E+01 0.391E+01 0.702E-04 0.275E-04 -.224E-03
-.181E+02 -.324E+02 -.841E+01 0.203E+02 0.341E+02 0.114E+02 -.213E+01 -.168E+01 -.298E+01 -.110E-02 -.592E-03 -.157E-02
-.120E+03 0.150E+02 -.132E+03 0.123E+03 -.184E+02 0.137E+03 -.272E+01 0.343E+01 -.495E+01 -.201E-03 -.256E-03 0.432E-03
-.411E+02 0.831E+02 0.693E+02 0.435E+02 -.817E+02 -.661E+02 -.235E+01 -.143E+01 -.312E+01 -.438E-03 0.727E-03 -.171E-03
-.126E+00 0.242E+02 -.601E+02 0.421E+01 -.242E+02 0.620E+02 -.408E+01 -.446E-01 -.182E+01 -.981E-03 -.142E-02 -.115E-02
0.906E+00 -.322E+02 0.738E+02 -.159E+01 0.298E+02 -.732E+02 0.681E+00 0.239E+01 -.596E+00 0.228E-02 0.318E-03 0.130E-02
0.195E+02 0.159E+02 -.440E+02 -.228E+02 -.147E+02 0.398E+02 0.330E+01 -.117E+01 0.420E+01 0.107E-02 -.576E-03 -.174E-02
-.783E+02 0.289E+02 0.562E+00 0.741E+02 -.277E+02 -.591E+00 0.425E+01 -.124E+01 0.283E-01 -.313E-03 0.109E-02 -.335E-03
0.108E+01 -.190E+02 0.174E+02 -.286E+01 0.191E+02 -.190E+02 0.178E+01 -.146E+00 0.156E+01 -.760E-03 -.135E-03 -.917E-04
0.684E+02 -.104E+02 -.119E+03 -.665E+02 0.976E+01 0.117E+03 -.193E+01 0.623E+00 0.207E+01 0.132E-02 -.453E-04 -.109E-03
0.787E+02 0.207E+02 -.507E+02 -.760E+02 -.193E+02 0.488E+02 -.262E+01 -.143E+01 0.189E+01 0.201E-02 0.159E-03 -.124E-02
0.906E+02 0.152E+02 -.190E+02 -.878E+02 -.140E+02 0.169E+02 -.277E+01 -.122E+01 0.212E+01 0.218E-02 -.102E-02 -.694E-03
0.188E+02 -.756E+01 0.890E+02 -.191E+02 0.664E+01 -.866E+02 0.258E+00 0.912E+00 -.239E+01 0.196E-02 0.220E-03 -.556E-03
0.193E+02 -.334E+02 0.330E+00 -.195E+02 0.317E+02 -.951E+00 0.214E+00 0.171E+01 0.625E+00 -.627E-03 0.486E-03 -.670E-03
-.309E+01 0.373E+02 0.171E+02 0.119E+01 -.338E+02 -.156E+02 0.189E+01 -.351E+01 -.151E+01 0.646E-03 -.751E-03 0.403E-04
0.436E+02 -.165E+02 0.664E+02 -.432E+02 0.154E+02 -.692E+02 -.362E+00 0.106E+01 0.282E+01 -.492E-02 0.658E-04 -.919E-03
0.230E+02 0.703E+01 0.460E+02 -.216E+02 -.454E+01 -.471E+02 -.135E+01 -.250E+01 0.113E+01 0.111E-02 0.602E-04 -.309E-03
0.216E+02 -.293E+02 -.170E+02 -.217E+02 0.304E+02 0.162E+02 0.122E+00 -.113E+01 0.775E+00 -.457E-04 0.148E-02 -.967E-03
-.543E+02 -.568E+01 -.625E+02 0.534E+02 0.616E+01 0.595E+02 0.921E+00 -.480E+00 0.303E+01 0.342E-03 -.868E-04 -.345E-03
-.493E+02 -.316E+02 -.476E+02 0.487E+02 0.334E+02 0.452E+02 0.675E+00 -.176E+01 0.245E+01 -.143E-02 -.984E-03 0.259E-03
-.207E+02 -.276E+02 0.808E+02 0.197E+02 0.261E+02 -.785E+02 0.974E+00 0.151E+01 -.221E+01 -.374E-03 0.176E-03 0.841E-03
0.610E+02 0.387E+02 -.205E+02 -.591E+02 -.376E+02 0.207E+02 -.180E+01 -.106E+01 -.274E+00 -.132E-03 0.597E-03 -.776E-03
0.494E+02 -.351E+01 0.546E+02 -.475E+02 0.326E+01 -.531E+02 -.187E+01 0.261E+00 -.146E+01 -.304E-03 -.970E-04 0.874E-03
-.109E+02 0.155E+02 -.214E+01 0.946E+01 -.152E+02 0.376E+01 0.144E+01 -.251E+00 -.162E+01 0.351E-04 -.450E-03 0.196E-03
0.211E+01 -.294E+02 -.310E+02 -.272E+01 0.293E+02 0.284E+02 0.609E+00 0.156E+00 0.258E+01 -.582E-03 0.469E-03 0.979E-03
0.138E+02 0.114E+03 0.539E+01 -.138E+02 -.113E+03 -.602E+01 0.931E-01 -.194E+01 0.623E+00 -.129E-02 0.187E-02 -.109E-03
-.115E+02 -.858E+02 -.603E+02 0.109E+02 0.836E+02 0.585E+02 0.609E+00 0.222E+01 0.184E+01 0.161E-03 -.419E-03 0.124E-03
-.499E+02 -.148E+02 -.430E+02 0.474E+02 0.132E+02 0.414E+02 0.247E+01 0.161E+01 0.165E+01 0.174E-02 0.218E-03 -.125E-03
0.380E+02 -.360E+02 0.483E+01 -.358E+02 0.352E+02 -.486E+01 -.225E+01 0.823E+00 0.253E-01 0.767E-03 -.164E-03 -.930E-05
0.602E+02 0.240E+02 0.114E+03 -.650E+02 -.245E+02 -.120E+03 0.486E+01 0.551E+00 0.568E+01 -.316E-02 0.402E-03 -.185E-02
0.110E+03 0.312E+01 0.214E+03 -.119E+03 -.794E+01 -.230E+03 0.853E+01 0.482E+01 0.156E+02 -.214E-02 -.282E-02 -.164E-02
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.141E+02 0.131E+02 0.183E+02 -.177E-02 -.138E-02 -.445E-03
0.309E+02 -.576E+02 0.905E+02 -.288E+02 0.625E+02 -.997E+02 -.216E+01 -.488E+01 0.921E+01 0.208E-02 -.207E-02 -.103E-02
-.493E+02 -.297E+02 -.882E+02 0.560E+02 0.333E+02 0.947E+02 -.675E+01 -.362E+01 -.654E+01 0.657E-03 -.209E-02 -.267E-02
0.322E+02 -.877E+00 -.208E+02 -.295E+02 -.569E+01 0.628E+01 -.266E+01 0.656E+01 0.145E+02 0.233E-02 0.588E-03 0.813E-03
0.575E+02 -.152E+02 -.936E+02 -.628E+02 0.980E+01 0.998E+02 0.524E+01 0.543E+01 -.620E+01 0.167E-02 -.428E-03 -.175E-02
0.499E+01 -.626E+02 -.630E+02 0.256E+01 0.606E+02 0.666E+02 -.755E+01 0.200E+01 -.357E+01 0.252E-02 0.805E-03 0.131E-02
0.567E+02 -.134E+03 -.127E+03 -.576E+02 0.140E+03 0.138E+03 0.902E+00 -.594E+01 -.108E+02 0.139E-02 0.716E-03 -.185E-03
-.719E+02 -.151E+03 -.738E+00 0.609E+02 0.171E+03 -.722E+00 0.111E+02 -.198E+02 0.145E+01 0.721E-04 -.129E-02 0.279E-03
-.833E+02 0.491E+02 0.344E+02 0.754E+02 -.433E+02 -.425E+02 0.795E+01 -.588E+01 0.804E+01 -.716E-03 0.380E-03 0.586E-03
0.527E+02 -.728E+02 -.204E+02 -.511E+02 0.712E+02 0.194E+02 -.160E+01 0.158E+01 0.103E+01 0.827E-03 0.803E-03 0.419E-03
0.978E+02 -.101E+03 -.553E+02 -.949E+02 0.102E+03 0.577E+02 -.284E+01 -.138E+01 -.238E+01 0.147E-02 0.539E-03 -.457E-03
-.366E+02 0.618E+02 0.393E+02 0.470E+02 -.842E+02 -.379E+02 -.104E+02 0.224E+02 -.139E+01 0.992E-03 -.119E-02 0.101E-02
-.560E+02 -.156E+03 -.604E+02 0.688E+02 0.161E+03 0.638E+02 -.128E+02 -.451E+01 -.333E+01 0.607E-03 0.683E-03 -.337E-03
0.128E+03 -.257E+02 0.139E+03 -.134E+03 0.246E+02 -.157E+03 0.615E+01 0.115E+01 0.185E+02 0.168E-02 -.616E-03 -.370E-03
0.132E+03 -.124E+03 -.282E+02 -.153E+03 0.114E+03 0.865E+01 0.212E+02 0.103E+02 0.195E+02 0.787E-03 0.111E-02 0.623E-03
-.767E+01 0.164E+03 0.122E+03 0.780E+01 -.176E+03 -.127E+03 -.126E+00 0.117E+02 0.521E+01 -.228E-02 -.295E-03 0.111E-03
-.105E+03 -.500E+02 0.165E+02 0.108E+03 0.510E+02 -.260E+02 -.331E+01 -.108E+01 0.955E+01 0.271E-02 0.247E-02 0.294E-02
0.727E+02 -.275E+02 0.999E+02 -.804E+02 0.306E+02 -.964E+02 0.768E+01 -.311E+01 -.355E+01 -.232E-02 -.406E-03 -.624E-03
-.129E+02 0.602E+01 0.184E+03 0.282E+01 -.279E+01 -.186E+03 0.100E+02 -.322E+01 0.194E+01 -.274E-02 -.313E-03 -.325E-02
0.209E+02 0.937E+00 0.146E+03 -.229E+02 -.169E+01 -.152E+03 0.197E+01 0.756E+00 0.567E+01 0.719E-03 0.289E-03 0.140E-03
-.179E+02 0.173E+03 -.845E+02 0.209E+02 -.176E+03 0.992E+02 -.298E+01 0.308E+01 -.147E+02 0.423E-03 0.114E-02 -.267E-02
-.605E+02 0.196E+03 -.584E+02 0.631E+02 -.208E+03 0.690E+02 -.260E+01 0.118E+02 -.106E+02 0.238E-02 0.941E-03 -.428E-03
0.273E+02 0.154E+03 -.612E+02 -.428E+02 -.161E+03 0.672E+02 0.155E+02 0.656E+01 -.603E+01 0.165E-02 0.265E-03 -.208E-02
0.960E+02 0.205E+02 -.960E+02 -.102E+03 -.193E+02 0.899E+02 0.602E+01 -.123E+01 0.619E+01 0.161E-02 -.438E-03 -.196E-03
0.995E+02 0.118E+03 -.444E+02 -.105E+03 -.129E+03 0.396E+02 0.545E+01 0.105E+02 0.482E+01 -.489E-03 0.301E-04 0.614E-03
-.110E+03 0.843E+02 -.287E+02 0.108E+03 -.886E+02 0.320E+02 0.191E+01 0.431E+01 -.334E+01 -.369E-03 0.267E-02 -.358E-03
-.500E+02 -.340E+02 0.796E+02 0.440E+02 0.366E+02 -.772E+02 0.598E+01 -.267E+01 -.240E+01 -.175E-02 0.241E-02 0.169E-02
-.534E+02 0.125E+03 0.169E+03 0.521E+02 -.137E+03 -.180E+03 0.133E+01 0.118E+02 0.108E+02 -.111E-02 0.680E-03 -.109E-02
-.773E+02 0.441E+02 0.170E+02 0.777E+02 -.506E+02 -.159E+02 -.387E+00 0.653E+01 -.105E+01 -.140E-02 0.196E-02 0.186E-02
0.360E+02 0.708E+02 0.507E+02 -.341E+02 -.791E+02 -.536E+02 -.191E+01 0.825E+01 0.289E+01 -.355E-02 -.387E-03 -.659E-03
0.778E+01 -.850E+01 -.279E+02 -.103E+02 0.116E+02 0.320E+02 0.249E+01 -.315E+01 -.413E+01 -.157E-02 -.184E-03 0.190E-02
-.536E+02 -.363E+02 0.235E+02 0.643E+02 0.313E+02 -.385E+02 -.106E+02 0.497E+01 0.149E+02 -.144E-02 0.641E-04 0.702E-03
0.154E+02 -.499E+02 -.553E+02 -.215E+02 0.539E+02 0.567E+02 0.614E+01 -.396E+01 -.137E+01 -.125E-02 0.651E-03 0.127E-02
0.491E+02 -.191E+03 -.753E+02 -.631E+02 0.214E+03 0.968E+02 0.140E+02 -.229E+02 -.216E+02 -.596E-03 -.118E-02 0.413E-04
-.622E+02 -.558E+02 -.215E+02 0.709E+02 0.480E+02 0.228E+02 -.863E+01 0.780E+01 -.131E+01 -.746E-03 0.293E-03 0.249E-02
-.178E+02 0.160E+02 -.134E+03 0.345E+02 -.218E+02 0.120E+03 -.167E+02 0.580E+01 0.143E+02 0.173E-02 0.852E-03 0.132E-03
0.119E+03 0.159E+03 0.117E+03 -.128E+03 -.172E+03 -.129E+03 0.859E+01 0.132E+02 0.122E+02 -.696E-03 0.767E-03 -.320E-02
-.660E+02 -.393E+02 -.827E+01 0.656E+02 0.376E+02 0.418E+01 0.462E+00 0.175E+01 0.409E+01 -.130E-03 -.239E-03 -.135E-02
0.567E+02 0.175E+02 0.400E+02 -.589E+02 -.165E+02 -.393E+02 0.225E+01 -.107E+01 -.643E+00 0.338E-03 -.233E-03 -.236E-02
-.601E+02 -.277E+02 -.340E+02 0.600E+02 0.270E+02 0.332E+02 0.141E+00 0.633E+00 0.796E+00 -.224E-03 -.239E-02 -.174E-02
0.134E+02 -.118E+03 -.709E+02 -.194E+02 0.120E+03 0.737E+02 0.597E+01 -.230E+01 -.279E+01 0.223E-03 -.498E-03 -.191E-02
-.467E+01 -.745E+02 -.351E+02 -.112E+01 0.701E+02 0.294E+02 0.579E+01 0.439E+01 0.570E+01 -.897E-03 -.398E-03 0.264E-03
-.860E+02 -.977E+02 -.365E+02 0.966E+02 0.915E+02 0.317E+02 -.106E+02 0.618E+01 0.483E+01 -.656E-03 0.198E-03 0.785E-03
0.550E+01 0.223E+03 -.689E+02 -.743E+01 -.214E+03 0.106E+03 0.194E+01 -.903E+01 -.370E+02 -.263E-02 0.990E-03 0.632E-03
-.706E+02 0.473E+02 -.545E+02 0.930E+02 -.422E+02 0.549E+02 -.224E+02 -.506E+01 -.408E+00 -.116E-02 0.201E-03 0.103E-02
-.182E+02 0.321E+03 0.151E+03 0.189E+02 -.349E+03 -.161E+03 -.685E+00 0.279E+02 0.100E+02 -.948E-03 0.886E-03 0.148E-02
0.167E+03 0.261E+02 0.617E+02 -.172E+03 -.407E+01 -.558E+02 0.551E+01 -.220E+02 -.591E+01 -.819E-03 -.625E-04 0.251E-02
-.136E+03 0.339E+02 0.548E+00 0.156E+03 -.151E+02 0.258E+02 -.202E+02 -.188E+02 -.263E+02 -.164E-02 0.102E-02 -.109E-02
0.670E+02 -.180E+03 -.562E+02 -.716E+02 0.201E+03 0.512E+02 0.465E+01 -.204E+02 0.499E+01 0.765E-03 -.113E-02 -.150E-02
-.349E+02 0.863E+02 0.574E+02 0.413E+02 -.906E+02 -.573E+02 -.641E+01 0.438E+01 -.169E+00 -.137E-02 -.750E-03 0.970E-03
-.804E+02 -.125E+02 0.389E+02 0.882E+02 0.169E+02 -.372E+02 -.778E+01 -.443E+01 -.171E+01 -.277E-03 0.107E-02 0.172E-02
0.443E+02 0.274E+02 0.918E+02 -.502E+02 -.304E+02 -.101E+03 0.595E+01 0.300E+01 0.928E+01 0.934E-03 0.352E-03 -.147E-02
0.957E+02 0.455E+02 0.598E+02 -.957E+02 -.471E+02 -.407E+02 0.677E-01 0.162E+01 -.192E+02 -.501E-02 -.304E-03 -.135E-03
0.358E+02 0.129E+03 0.619E+02 -.366E+02 -.131E+03 -.623E+02 0.804E+00 0.215E+01 0.399E+00 -.333E-02 -.205E-02 0.209E-02
0.169E+02 0.798E+02 0.566E+02 -.137E+02 -.698E+02 -.586E+02 -.326E+01 -.999E+01 0.204E+01 -.338E-02 -.655E-03 -.110E-02
0.103E+03 -.334E+02 -.772E+02 -.107E+03 0.302E+02 0.763E+02 0.423E+01 0.314E+01 0.896E+00 -.709E-03 0.807E-03 0.376E-03
-.572E+02 0.722E+02 0.325E+02 0.733E+02 -.706E+02 -.331E+02 -.162E+02 -.158E+01 0.635E+00 -.197E-02 -.727E-03 0.122E-02
0.102E+03 0.167E+02 -.128E+03 -.116E+03 -.214E+02 0.141E+03 0.134E+02 0.464E+01 -.131E+02 -.313E-03 0.843E-03 0.915E-04
-.222E+01 -.220E+02 -.463E+02 0.157E+01 0.241E+02 0.484E+02 0.645E+00 -.216E+01 -.207E+01 -.576E-03 0.476E-03 0.228E-02
0.510E+02 -.930E+02 -.400E+02 -.445E+02 0.935E+02 0.418E+02 -.652E+01 -.526E+00 -.178E+01 0.123E-02 0.317E-04 -.833E-03
0.151E+03 -.254E+02 -.460E+02 -.168E+03 0.268E+02 0.445E+02 0.167E+02 -.145E+01 0.151E+01 -.563E-03 0.172E-03 -.394E-02
-.127E+02 -.106E+03 -.107E+02 0.946E+01 0.104E+03 0.519E+01 0.327E+01 0.187E+01 0.551E+01 0.161E-03 0.101E-02 -.134E-02
-.809E+02 0.369E+02 0.119E+03 0.965E+02 -.439E+02 -.128E+03 -.156E+02 0.702E+01 0.902E+01 0.750E-03 -.928E-03 0.115E-02
0.386E+02 -.113E+03 0.488E+02 -.513E+02 0.121E+03 -.538E+02 0.127E+02 -.817E+01 0.505E+01 -.536E-03 -.796E-03 0.720E-03
0.568E+02 -.128E+03 -.115E+03 -.580E+02 0.137E+03 0.114E+03 0.113E+01 -.885E+01 0.508E+00 0.557E-03 0.550E-03 -.817E-03
-.222E+02 -.153E+03 0.584E+02 0.201E+02 0.161E+03 -.754E+02 0.205E+01 -.748E+01 0.169E+02 -.692E-03 -.482E-03 -.549E-03
0.247E+02 -.106E+03 -.767E+02 -.270E+02 0.115E+03 0.750E+02 0.228E+01 -.862E+01 0.168E+01 -.206E-02 -.213E-03 -.270E-02
-.542E+02 0.281E+02 -.187E+03 0.449E+02 -.178E+02 0.223E+03 0.935E+01 -.103E+02 -.358E+02 0.218E-02 -.142E-02 0.284E-02
0.279E+02 -.179E+02 -.515E+02 -.376E+02 0.186E+02 0.479E+02 0.970E+01 -.681E+00 0.366E+01 -.259E-02 0.840E-03 0.148E-02
-.484E+02 0.117E+03 -.311E+02 0.501E+02 -.119E+03 0.326E+02 -.165E+01 0.162E+01 -.144E+01 0.218E-02 0.162E-02 0.142E-02
-.455E+02 -.149E+02 -.195E+02 0.476E+02 0.243E+02 0.185E+02 -.205E+01 -.938E+01 0.949E+00 0.112E-02 0.157E-02 0.183E-02
0.213E+03 -.103E+03 -.133E+02 -.246E+03 0.946E+02 -.286E+01 0.334E+02 0.853E+01 0.162E+02 0.155E-02 -.759E-03 -.445E-03
-.169E+03 -.157E+03 -.418E+02 0.180E+03 0.189E+03 0.327E+02 -.105E+02 -.319E+02 0.908E+01 -.186E-02 0.423E-03 -.192E-02
-.101E+03 0.154E+03 -.591E+02 0.100E+03 -.168E+03 0.711E+02 0.907E+00 0.145E+02 -.120E+02 -.111E-02 0.642E-03 -.151E-02
-.281E+03 0.134E+03 0.107E+03 0.312E+03 -.142E+03 -.881E+02 -.315E+02 0.750E+01 -.193E+02 0.671E-03 -.775E-03 0.154E-02
-.893E+02 0.889E+02 0.169E+02 0.902E+02 -.776E+02 -.125E+02 -.891E+00 -.113E+02 -.436E+01 -.495E-03 0.950E-03 -.174E-03
-.425E+02 -.270E+02 0.831E+02 0.393E+02 0.371E+02 -.884E+02 0.324E+01 -.100E+02 0.532E+01 -.371E-03 0.754E-03 -.517E-03
0.303E+02 0.156E+03 -.637E+02 -.317E+02 -.182E+03 0.858E+02 0.138E+01 0.259E+02 -.221E+02 -.120E-02 0.978E-03 0.147E-02
-.328E+02 0.157E+03 0.371E+02 0.338E+02 -.166E+03 -.371E+02 -.104E+01 0.822E+01 0.155E-01 0.346E-02 0.295E-04 0.126E-02
0.621E+01 0.698E+02 0.978E+02 -.634E+01 -.672E+02 -.100E+03 0.121E+00 -.258E+01 0.216E+01 0.403E-03 -.184E-02 0.273E-02
-.661E+02 0.309E+03 0.114E+03 0.735E+02 -.334E+03 -.122E+03 -.741E+01 0.250E+02 0.761E+01 0.120E-02 -.814E-05 0.157E-02
-.467E+02 -.274E+02 0.734E+02 0.519E+02 0.328E+02 -.769E+02 -.523E+01 -.539E+01 0.355E+01 0.138E-02 0.486E-03 0.918E-03
-.953E+02 -.148E+03 -.564E+01 0.975E+02 0.163E+03 -.983E+00 -.226E+01 -.153E+02 0.662E+01 -.104E-02 -.146E-02 -.686E-03
-.949E+02 -.177E+02 -.122E+03 0.101E+03 0.238E+02 0.131E+03 -.624E+01 -.601E+01 -.850E+01 0.106E-03 -.579E-03 -.123E-02
-.578E+02 -.377E+02 0.324E+02 0.659E+02 0.428E+02 -.441E+02 -.816E+01 -.509E+01 0.117E+02 0.559E-03 0.876E-04 0.557E-03
-.330E+02 0.418E+02 -.791E+02 0.334E+02 -.401E+02 0.822E+02 -.334E+00 -.169E+01 -.305E+01 -.130E-02 0.925E-03 -.173E-02
0.213E+02 -.856E+02 -.944E+02 -.180E+02 0.104E+03 0.902E+02 -.336E+01 -.183E+02 0.418E+01 -.365E-03 -.119E-03 -.255E-02
-.175E+02 -.178E+01 -.147E+02 0.177E+02 0.199E+01 0.179E+02 -.131E+00 -.212E+00 -.324E+01 0.911E-04 -.397E-04 0.411E-04
-.326E+02 0.683E+01 0.100E+02 0.346E+02 -.794E+01 -.122E+02 -.207E+01 0.112E+01 0.221E+01 0.232E-03 -.267E-03 0.233E-03
0.924E+01 -.329E+02 -.135E+02 -.980E+01 0.356E+02 0.150E+02 0.587E+00 -.271E+01 -.156E+01 -.711E-04 0.503E-03 0.278E-03
-.759E+01 -.123E+02 -.638E+02 0.872E+01 0.104E+02 0.690E+02 -.111E+01 0.194E+01 -.518E+01 0.859E-04 0.170E-03 -.185E-03
-.305E+02 0.653E+01 0.926E+00 0.337E+02 -.706E+01 -.832E+00 -.313E+01 0.521E+00 -.818E-01 0.361E-03 -.103E-03 -.226E-03
0.541E+02 -.298E+02 -.122E+02 -.594E+02 0.318E+02 0.122E+02 0.532E+01 -.199E+01 0.474E-01 0.234E-03 0.153E-03 0.404E-04
0.144E+02 0.227E+02 -.366E+02 -.142E+02 -.253E+02 0.380E+02 -.198E+00 0.255E+01 -.142E+01 -.180E-03 0.169E-03 -.212E-03
0.274E+02 -.829E+01 -.376E+02 -.293E+02 0.100E+02 0.391E+02 0.191E+01 -.174E+01 -.154E+01 0.819E-04 0.816E-04 -.425E-04
-.195E+02 0.138E+02 0.325E+02 0.214E+02 -.151E+02 -.344E+02 -.189E+01 0.132E+01 0.192E+01 -.895E-04 0.307E-03 -.336E-03
-.573E+01 0.321E+02 0.234E+02 0.729E+01 -.343E+02 -.250E+02 -.158E+01 0.225E+01 0.158E+01 -.103E-03 0.141E-03 0.250E-03
0.851E+01 -.360E+02 -.270E+02 -.875E+01 0.379E+02 0.286E+02 0.264E+00 -.188E+01 -.160E+01 -.329E-03 -.328E-04 -.109E-03
-.219E+02 -.188E+02 0.176E+02 0.246E+02 0.196E+02 -.192E+02 -.266E+01 -.831E+00 0.167E+01 -.563E-04 0.110E-03 0.279E-03
0.104E+00 -.355E+01 0.164E+02 -.136E+01 0.324E+01 -.173E+02 0.126E+01 0.319E+00 0.867E+00 -.643E-04 0.237E-04 -.195E-05
-.155E+02 0.167E+02 -.304E+02 0.160E+02 -.192E+02 0.321E+02 -.463E+00 0.253E+01 -.171E+01 -.935E-04 -.157E-03 -.147E-03
-.201E+02 0.668E+01 -.250E+02 0.221E+02 -.820E+01 0.267E+02 -.195E+01 0.153E+01 -.178E+01 0.139E-03 0.854E-04 0.233E-03
-.265E+02 0.118E+00 -.256E+02 0.290E+02 0.279E+00 0.273E+02 -.255E+01 -.406E+00 -.174E+01 -.211E-03 -.224E-03 -.177E-03
-.355E+02 -.355E+02 -.526E+02 0.375E+02 0.389E+02 0.567E+02 -.201E+01 -.344E+01 -.403E+01 0.203E-04 0.124E-03 0.214E-03
-.521E+02 0.195E+02 0.443E+00 0.564E+02 -.226E+02 -.230E+01 -.423E+01 0.309E+01 0.187E+01 0.134E-03 -.128E-03 -.289E-04
0.138E+02 -.186E+01 -.156E+01 -.162E+02 0.357E+01 0.123E+01 0.240E+01 -.172E+01 0.319E+00 0.614E-03 -.242E-03 0.724E-05
0.202E+02 0.143E+01 -.139E+02 -.226E+02 -.217E+01 0.158E+02 0.236E+01 0.736E+00 -.189E+01 0.739E-03 0.230E-03 0.382E-03
0.198E+02 0.302E+02 -.182E+01 -.209E+02 -.328E+02 0.305E+01 0.114E+01 0.255E+01 -.124E+01 0.299E-03 -.214E-03 -.561E-04
0.597E+01 -.266E+02 -.357E+02 -.810E+01 0.288E+02 0.399E+02 0.213E+01 -.215E+01 -.428E+01 0.580E-03 -.413E-03 0.304E-03
-.580E+02 -.126E+02 -.239E+02 0.627E+02 0.136E+02 0.262E+02 -.468E+01 -.105E+01 -.228E+01 0.124E-03 -.265E-03 0.736E-04
0.348E+02 0.178E+02 -.100E+02 -.386E+02 -.200E+02 0.131E+02 0.377E+01 0.224E+01 -.302E+01 0.451E-04 -.244E-03 -.185E-04
0.213E+02 -.403E+02 0.350E+02 -.233E+02 0.444E+02 -.377E+02 0.197E+01 -.406E+01 0.269E+01 0.265E-03 -.556E-03 -.241E-04
-.100E+01 -.736E+02 -.113E+02 0.190E+01 0.788E+02 0.120E+02 -.896E+00 -.515E+01 -.622E+00 -.505E-04 -.158E-03 0.365E-03
0.278E+02 -.305E+02 0.132E+02 -.317E+02 0.337E+02 -.149E+02 0.391E+01 -.320E+01 0.168E+01 -.598E-04 -.273E-03 0.210E-03
0.126E+02 0.520E+02 0.685E+01 -.142E+02 -.569E+02 -.625E+01 0.165E+01 0.492E+01 -.595E+00 0.707E-04 -.419E-03 0.141E-03
0.207E+02 -.559E+02 0.150E+02 -.234E+02 0.594E+02 -.178E+02 0.270E+01 -.352E+01 0.279E+01 0.173E-03 0.283E-04 0.299E-03
0.608E+02 0.178E+02 0.119E+02 -.660E+02 -.187E+02 -.111E+02 0.511E+01 0.972E+00 -.737E+00 0.602E-04 -.702E-04 -.191E-03
0.414E+02 0.230E+02 0.510E+02 -.442E+02 -.254E+02 -.545E+02 0.285E+01 0.240E+01 0.347E+01 0.774E-04 0.308E-04 0.407E-03
-.491E+02 0.971E+01 0.428E+02 0.529E+02 -.112E+02 -.461E+02 -.385E+01 0.151E+01 0.329E+01 0.701E-03 -.132E-03 -.484E-03
0.125E+02 -.236E+02 -.345E+02 -.153E+02 0.262E+02 0.381E+02 0.282E+01 -.267E+01 -.358E+01 0.467E-03 0.305E-03 0.430E-03
-.357E+02 -.742E+01 -.289E+02 0.408E+02 0.773E+01 0.302E+02 -.514E+01 -.310E+00 -.125E+01 0.110E-03 0.102E-03 -.153E-03
0.171E+02 0.660E+02 -.329E+02 -.190E+02 -.702E+02 0.354E+02 0.197E+01 0.414E+01 -.253E+01 -.681E-04 -.232E-03 -.136E-03
0.727E+01 0.463E+02 -.635E+01 -.693E+01 -.515E+02 0.705E+01 -.337E+00 0.512E+01 -.705E+00 0.379E-03 0.340E-03 -.244E-04
-.304E+02 -.165E+02 0.529E+02 0.317E+02 0.182E+02 -.577E+02 -.128E+01 -.168E+01 0.478E+01 0.502E-04 0.348E-03 -.422E-03
-.115E+01 -.520E+02 0.442E+02 0.127E+00 0.545E+02 -.487E+02 0.101E+01 -.253E+01 0.446E+01 -.203E-03 -.195E-03 0.392E-03
0.153E+02 -.445E+02 -.561E+01 -.157E+02 0.492E+02 0.312E+01 0.387E+00 -.475E+01 0.249E+01 -.193E-03 -.228E-03 0.279E-04
-.517E+02 0.206E+02 -.693E+01 0.568E+02 -.222E+02 0.750E+01 -.504E+01 0.164E+01 -.551E+00 -.103E-03 -.518E-03 -.230E-03
0.737E+01 -.709E+02 -.174E+02 -.712E+01 0.761E+02 0.179E+02 -.249E+00 -.511E+01 -.512E+00 -.733E-04 0.476E-03 0.685E-04
-.433E+01 0.498E+02 0.317E+01 0.586E+01 -.547E+02 -.396E+01 -.153E+01 0.494E+01 0.790E+00 0.198E-03 -.333E-03 -.155E-03
0.347E+02 0.564E+02 0.268E+02 -.369E+02 -.602E+02 -.297E+02 0.217E+01 0.374E+01 0.288E+01 -.256E-03 0.198E-04 -.461E-04
-.147E+02 0.381E+02 -.278E+02 0.173E+02 -.426E+02 0.284E+02 -.258E+01 0.450E+01 -.616E+00 -.281E-03 -.218E-03 -.488E-04
-.460E+02 0.180E+02 0.376E+02 0.506E+02 -.196E+02 -.394E+02 -.461E+01 0.165E+01 0.186E+01 0.558E-03 -.437E-03 0.569E-05
-.127E+02 0.446E+02 0.172E+01 0.124E+02 -.500E+02 -.201E+01 0.347E+00 0.539E+01 0.289E+00 0.438E-03 -.165E-03 0.150E-03
0.451E+01 -.618E+02 0.155E+02 -.490E+01 0.668E+02 -.173E+02 0.380E+00 -.496E+01 0.182E+01 0.220E-03 -.544E-03 0.246E-03
-.353E+02 0.743E+01 0.393E+02 0.385E+02 -.835E+01 -.432E+02 -.326E+01 0.917E+00 0.391E+01 0.423E-03 0.191E-03 0.409E-03
0.396E+02 0.135E+02 0.351E+02 -.431E+02 -.161E+02 -.381E+02 0.353E+01 0.257E+01 0.291E+01 0.331E-03 0.179E-03 0.520E-03
-.312E+02 0.274E+02 -.291E+02 0.337E+02 -.297E+02 0.331E+02 -.240E+01 0.234E+01 -.393E+01 -.269E-04 -.175E-04 -.405E-04
0.181E+01 -.314E+02 0.370E+02 -.286E+01 0.340E+02 -.416E+02 0.103E+01 -.259E+01 0.461E+01 -.211E-03 -.337E-03 0.164E-03
0.427E+02 0.298E+02 0.195E+02 -.479E+02 -.306E+02 -.195E+02 0.522E+01 0.851E+00 0.208E-01 0.166E-04 0.467E-04 0.514E-04
0.819E+01 0.339E+02 0.282E+02 -.916E+01 -.367E+02 -.326E+02 0.970E+00 0.280E+01 0.445E+01 -.409E-03 -.200E-03 -.338E-03
0.220E+02 -.423E+02 0.359E+01 -.242E+02 0.468E+02 -.152E+01 0.214E+01 -.450E+01 -.206E+01 0.478E-03 0.618E-03 0.488E-03
0.155E+02 0.381E+02 -.434E+02 -.166E+02 -.417E+02 0.471E+02 0.115E+01 0.363E+01 -.370E+01 0.309E-03 -.282E-03 -.399E-03
-.450E+02 0.399E+02 0.319E+02 0.464E+02 -.439E+02 -.352E+02 -.145E+01 0.398E+01 0.333E+01 0.495E-04 0.167E-03 -.304E-03
-.582E+02 -.307E+02 0.543E+01 0.629E+02 0.329E+02 -.552E+01 -.471E+01 -.215E+01 0.100E+00 0.349E-03 -.373E-03 0.442E-03
-.182E+02 -.178E+02 0.455E+02 0.190E+02 0.189E+02 -.507E+02 -.794E+00 -.110E+01 0.516E+01 0.284E-03 -.850E-04 0.235E-03
0.364E+02 -.286E+01 0.638E+02 -.388E+02 0.378E+01 -.685E+02 0.238E+01 -.924E+00 0.460E+01 0.340E-03 -.266E-03 0.302E-03
-.244E+02 -.264E+02 -.317E+02 0.278E+02 0.286E+02 0.351E+02 -.334E+01 -.221E+01 -.340E+01 -.311E-03 -.264E-03 -.359E-03
0.349E+02 -.175E+02 0.345E+02 -.377E+02 0.171E+02 -.388E+02 0.278E+01 0.347E+00 0.437E+01 0.110E-03 -.439E-04 0.301E-03
0.175E+02 0.250E+02 -.345E+02 -.199E+02 -.278E+02 0.383E+02 0.238E+01 0.272E+01 -.384E+01 -.171E-03 0.619E-04 -.171E-03
-.122E+02 0.568E+01 0.492E+02 0.145E+02 -.569E+01 -.539E+02 -.238E+01 0.225E-01 0.466E+01 0.718E-03 -.311E-04 -.482E-03
-.177E+02 -.548E+02 -.538E+02 0.195E+02 0.576E+02 0.578E+02 -.184E+01 -.280E+01 -.404E+01 -.201E-03 0.924E-04 0.222E-04
0.176E+02 -.277E+01 0.579E+02 -.171E+02 0.449E+01 -.629E+02 -.456E+00 -.171E+01 0.500E+01 0.179E-03 -.277E-04 -.315E-03
-.242E+02 0.459E+02 0.312E+01 0.275E+02 -.497E+02 -.185E+01 -.338E+01 0.381E+01 -.127E+01 -.197E-03 -.291E-04 0.349E-03
-.279E+02 -.422E+02 0.655E+01 0.284E+02 0.474E+02 -.625E+01 -.420E+00 -.526E+01 -.294E+00 -.208E-05 0.276E-03 -.103E-03
-.556E+02 -.756E+01 -.197E+02 0.605E+02 0.845E+01 0.212E+02 -.490E+01 -.892E+00 -.152E+01 0.173E-03 0.515E-03 0.234E-03
0.271E+02 -.294E+02 -.542E+02 -.294E+02 0.326E+02 0.576E+02 0.223E+01 -.311E+01 -.345E+01 0.351E-03 0.108E-04 0.614E-04
-.180E+02 0.452E+02 0.259E+02 0.201E+02 -.473E+02 -.302E+02 -.214E+01 0.211E+01 0.439E+01 0.102E-03 -.178E-03 -.607E-03
-.314E+02 -.257E+02 -.402E+02 0.345E+02 0.275E+02 0.439E+02 -.313E+01 -.180E+01 -.375E+01 0.653E-04 0.336E-03 0.136E-03
-.573E+02 0.623E+01 -.128E+02 0.620E+02 -.734E+01 0.150E+02 -.464E+01 0.113E+01 -.215E+01 0.451E-04 0.160E-03 0.530E-04
-.200E+02 -.563E+02 -.219E+02 0.212E+02 0.600E+02 0.253E+02 -.118E+01 -.378E+01 -.343E+01 -.590E-03 -.319E-03 -.127E-03
-.355E+01 -.109E+02 -.650E+02 0.523E+01 0.118E+02 0.699E+02 -.166E+01 -.938E+00 -.495E+01 -.466E-03 0.199E-04 -.761E-03
0.261E+02 0.266E+02 -.381E+02 -.287E+02 -.295E+02 0.417E+02 0.257E+01 0.294E+01 -.362E+01 -.281E-03 -.146E-03 0.129E-03
0.313E+02 -.134E+02 -.514E+02 -.337E+02 0.120E+02 0.557E+02 0.245E+01 0.140E+01 -.432E+01 -.368E-03 -.955E-04 0.495E-03
-.313E+02 -.190E+02 0.349E+02 0.351E+02 0.216E+02 -.376E+02 -.378E+01 -.258E+01 0.269E+01 0.329E-03 0.214E-03 -.241E-03
0.579E+02 0.757E+01 -.230E+02 -.620E+02 -.498E+01 0.250E+02 0.409E+01 -.259E+01 -.201E+01 -.330E-03 0.873E-05 0.834E-04
0.438E+02 -.250E+01 0.266E+02 -.464E+02 0.166E+01 -.309E+02 0.257E+01 0.831E+00 0.433E+01 0.396E-04 -.126E-03 0.357E-04
0.289E+02 0.368E+02 0.237E+02 -.323E+02 -.405E+02 -.251E+02 0.339E+01 0.374E+01 0.133E+01 0.583E-03 -.283E-04 0.344E-03
-.550E+02 -.691E+01 0.152E+02 0.598E+02 0.797E+01 -.168E+02 -.487E+01 -.106E+01 0.162E+01 0.429E-03 -.238E-03 0.164E-04
-.226E+02 -.208E+02 -.435E+02 0.247E+02 0.215E+02 0.482E+02 -.215E+01 -.799E+00 -.468E+01 -.255E-03 -.277E-03 -.465E-03
-.570E+01 -.602E+02 -.150E+01 0.539E+01 0.654E+02 0.158E+01 0.315E+00 -.524E+01 -.885E-01 -.230E-04 0.926E-04 0.336E-03
0.299E+02 -.210E+02 -.306E+02 -.328E+02 0.227E+02 0.347E+02 0.287E+01 -.167E+01 -.407E+01 -.463E-04 0.231E-04 0.286E-03
0.372E+02 0.131E+02 -.231E+01 -.421E+02 -.147E+02 0.275E+01 0.489E+01 0.163E+01 -.452E+00 -.237E-03 -.795E-05 0.335E-04
0.143E+02 0.338E+02 0.556E+01 -.161E+02 -.387E+02 -.652E+01 0.178E+01 0.486E+01 0.941E+00 -.208E-04 0.353E-03 -.224E-03
-.226E+02 0.337E+02 0.598E+02 0.243E+02 -.355E+02 -.645E+02 -.167E+01 0.185E+01 0.466E+01 0.549E-04 0.239E-03 -.202E-03
0.508E+02 -.159E+02 -.305E+02 -.555E+02 0.179E+02 0.317E+02 0.468E+01 -.199E+01 -.125E+01 -.631E-03 -.382E-03 -.355E-03
-.396E+02 -.170E+02 0.407E+02 0.439E+02 0.184E+02 -.435E+02 -.428E+01 -.142E+01 0.289E+01 0.131E-02 0.444E-03 -.198E-03
-.483E+02 -.623E+01 -.199E+02 0.534E+02 0.710E+01 0.207E+02 -.511E+01 -.850E+00 -.819E+00 0.246E-03 -.187E-03 -.373E-03
-.694E+02 -.606E+01 -.192E+02 0.740E+02 0.743E+01 0.214E+02 -.457E+01 -.138E+01 -.218E+01 -.156E-03 0.196E-03 -.335E-03
0.222E+02 -.123E+02 -.341E+02 -.236E+02 0.125E+02 0.394E+02 0.147E+01 -.141E+00 -.529E+01 -.367E-03 -.216E-04 0.414E-03
-.210E+02 0.342E+02 0.198E+02 0.239E+02 -.388E+02 -.205E+02 -.293E+01 0.461E+01 0.661E+00 -.192E-03 -.259E-03 -.529E-04
-.257E+02 -.305E+02 0.727E+01 0.292E+02 0.346E+02 -.808E+01 -.347E+01 -.418E+01 0.818E+00 0.167E-03 0.433E-03 -.239E-04
0.908E+01 -.436E+02 -.444E+02 -.859E+01 0.485E+02 0.465E+02 -.491E+00 -.495E+01 -.204E+01 0.482E-03 0.348E-04 -.336E-04
0.532E+02 -.119E+01 0.448E+00 -.581E+02 0.735E+00 -.276E+01 0.490E+01 0.454E+00 0.230E+01 0.462E-03 -.402E-04 0.484E-04
0.175E+01 0.308E+02 -.604E+02 -.150E+01 -.344E+02 0.645E+02 -.240E+00 0.352E+01 -.409E+01 0.355E-03 -.459E-04 0.928E-04
0.157E+02 -.169E+02 -.437E+02 -.162E+02 0.202E+02 0.481E+02 0.470E+00 -.322E+01 -.439E+01 0.595E-03 -.222E-03 -.422E-03
0.514E+02 -.212E+01 0.204E+02 -.559E+02 0.235E+01 -.233E+02 0.450E+01 -.234E+00 0.291E+01 0.886E-03 -.618E-05 0.413E-05
0.865E+01 0.478E+02 -.331E+02 -.806E+01 -.528E+02 0.349E+02 -.592E+00 0.496E+01 -.178E+01 0.510E-03 0.257E-03 -.199E-03
0.735E+01 0.363E+02 -.240E+02 -.511E+01 -.408E+02 0.264E+02 -.223E+01 0.442E+01 -.239E+01 0.523E-03 -.285E-03 -.230E-03
0.191E+02 -.243E+02 -.334E+02 -.179E+02 0.288E+02 0.368E+02 -.112E+01 -.444E+01 -.335E+01 0.439E-03 -.219E-03 -.142E-03
0.666E+02 0.998E+01 -.215E+01 -.717E+02 -.108E+02 0.203E+01 0.511E+01 0.799E+00 0.962E-01 0.395E-03 -.233E-03 -.201E-03
0.368E+02 -.178E+02 0.346E+02 -.418E+02 0.199E+02 -.356E+02 0.506E+01 -.205E+01 0.975E+00 0.431E-03 0.386E-05 -.616E-04
-.164E+02 -.350E+02 0.917E+01 0.199E+02 0.393E+02 -.836E+01 -.343E+01 -.428E+01 -.804E+00 0.531E-03 0.424E-04 -.204E-03
0.492E+00 0.264E+02 0.567E+02 0.949E+00 -.289E+02 -.611E+02 -.145E+01 0.253E+01 0.447E+01 0.642E-03 -.124E-04 -.280E-03
0.442E+02 -.209E+02 0.112E+02 -.485E+02 0.240E+02 -.127E+02 0.435E+01 -.311E+01 0.152E+01 -.101E-03 0.198E-03 -.288E-03
0.887E+01 -.117E+02 -.362E+02 -.889E+01 0.113E+02 0.418E+02 0.201E-01 0.361E+00 -.555E+01 0.253E-05 0.194E-04 0.146E-03
-.361E+02 -.231E+02 0.119E+02 0.405E+02 0.261E+02 -.133E+02 -.435E+01 -.296E+01 0.139E+01 0.527E-04 0.178E-03 -.316E-03
0.239E+02 0.365E+02 0.737E+00 -.274E+02 -.406E+02 0.768E+00 0.351E+01 0.408E+01 -.150E+01 0.200E-03 -.197E-03 -.115E-03
0.301E+01 0.146E+02 0.436E+02 -.232E+01 -.145E+02 -.489E+02 -.684E+00 -.105E+00 0.537E+01 -.201E-04 -.175E-03 0.372E-04
-.448E+02 0.222E+02 -.175E+02 0.495E+02 -.237E+02 0.194E+02 -.473E+01 0.150E+01 -.195E+01 -.309E-03 -.613E-04 -.107E-03
0.163E+02 0.322E+02 0.151E+02 -.170E+02 -.369E+02 -.168E+02 0.760E+00 0.473E+01 0.169E+01 -.811E-03 -.141E-03 -.198E-03
0.400E+02 -.335E+02 0.325E+02 -.434E+02 0.367E+02 -.354E+02 0.341E+01 -.325E+01 0.297E+01 -.731E-03 0.416E-04 0.118E-03
-.259E+02 -.153E+02 0.224E+02 0.312E+02 0.166E+02 -.236E+02 -.528E+01 -.131E+01 0.129E+01 -.660E-03 0.457E-04 -.901E-03
-.138E+02 0.293E+02 0.246E+02 0.169E+02 -.334E+02 -.266E+02 -.312E+01 0.414E+01 0.193E+01 0.549E-03 0.336E-04 -.109E-03
-.508E+01 -.247E+01 -.346E+02 0.570E+01 0.225E+01 0.400E+02 -.615E+00 0.224E+00 -.539E+01 0.257E-03 0.477E-04 -.239E-03
0.459E+02 0.705E+01 0.291E+02 -.511E+02 -.825E+01 -.301E+02 0.512E+01 0.120E+01 0.107E+01 0.511E-03 0.209E-03 0.190E-03
0.373E+02 0.577E+01 -.213E+02 -.414E+02 -.731E+01 0.243E+02 0.414E+01 0.155E+01 -.307E+01 -.250E-04 0.253E-03 -.237E-03
-.194E+02 -.363E+02 -.315E+02 0.222E+02 0.404E+02 0.341E+02 -.274E+01 -.412E+01 -.258E+01 -.160E-03 0.251E-03 -.319E-03
0.240E+02 -.895E+01 0.285E+02 -.263E+02 0.113E+02 -.332E+02 0.222E+01 -.229E+01 0.463E+01 0.911E-05 0.110E-03 0.136E-03
-.580E+02 0.222E+01 -.452E+01 0.633E+02 -.368E+01 0.439E+01 -.531E+01 0.145E+01 0.145E+00 0.313E-03 0.173E-03 0.175E-03
0.930E+01 0.212E+02 -.225E+02 -.125E+02 -.258E+02 0.228E+02 0.322E+01 0.464E+01 -.232E+00 -.243E-03 -.132E-03 -.301E-03
-.384E+01 -.182E+02 -.577E+02 0.309E+01 0.206E+02 0.624E+02 0.756E+00 -.234E+01 -.462E+01 0.308E-03 0.676E-04 0.139E-03
-.492E+02 0.111E+02 -.164E+00 0.537E+02 -.139E+02 -.751E+00 -.455E+01 0.277E+01 0.926E+00 -.205E-03 -.294E-03 -.959E-04
-.171E+02 -.347E+02 -.507E+02 0.175E+02 0.371E+02 0.554E+02 -.445E+00 -.235E+01 -.477E+01 -.439E-03 -.213E-03 0.101E-03
0.212E+02 0.213E+02 -.542E+01 -.255E+02 -.247E+02 0.568E+01 0.431E+01 0.335E+01 -.269E+00 -.533E-03 -.292E-03 0.108E-03
-.161E+02 -.433E+02 -.458E+01 0.180E+02 0.480E+02 0.656E+01 -.190E+01 -.470E+01 -.198E+01 -.751E-05 -.146E-03 0.254E-03
-.408E+02 0.227E+02 0.435E+02 0.448E+02 -.252E+02 -.460E+02 -.408E+01 0.247E+01 0.247E+01 0.107E-03 -.827E-04 0.183E-03
0.285E+02 -.114E+02 0.393E+02 -.323E+02 0.125E+02 -.430E+02 0.375E+01 -.117E+01 0.370E+01 0.179E-03 -.710E-04 0.335E-03
0.361E+02 -.939E+01 0.251E+02 -.392E+02 0.119E+02 -.288E+02 0.312E+01 -.249E+01 0.368E+01 -.194E-03 0.659E-04 -.229E-03
0.898E+01 0.400E+02 0.128E+02 -.825E+01 -.452E+02 -.145E+02 -.734E+00 0.512E+01 0.166E+01 -.498E-04 -.176E-03 -.117E-03
0.360E+02 0.965E+01 -.465E+02 -.389E+02 -.995E+01 0.510E+02 0.291E+01 0.307E+00 -.454E+01 -.243E-03 -.177E-04 0.340E-03
0.845E+01 -.406E+02 0.302E+02 -.698E+01 0.453E+02 -.329E+02 -.147E+01 -.466E+01 0.270E+01 -.259E-05 0.686E-04 0.478E-03
0.398E+02 0.332E+02 0.435E+02 -.431E+02 -.359E+02 -.469E+02 0.331E+01 0.261E+01 0.333E+01 -.115E-03 0.172E-04 0.378E-03
0.340E+02 -.170E+02 -.138E+02 -.372E+02 0.185E+02 0.182E+02 0.320E+01 -.148E+01 -.440E+01 -.138E-03 0.345E-04 0.460E-03
-.252E+02 -.358E+02 0.106E+02 0.275E+02 0.401E+02 -.127E+02 -.228E+01 -.434E+01 0.219E+01 0.144E-03 -.142E-03 0.239E-03
-.280E+02 0.262E+02 -.378E+01 0.320E+02 -.298E+02 0.487E+01 -.400E+01 0.355E+01 -.108E+01 -.209E-03 0.295E-03 0.135E-03
0.180E+02 0.288E+02 0.213E+02 -.212E+02 -.312E+02 -.251E+02 0.317E+01 0.239E+01 0.380E+01 0.201E-03 0.603E-04 0.378E-03
-.270E+02 0.290E+02 -.255E+02 0.297E+02 -.332E+02 0.276E+02 -.269E+01 0.425E+01 -.208E+01 -.354E-03 0.401E-03 0.113E-03
-.402E+01 -.431E+02 -.337E+02 0.480E+01 0.472E+02 0.369E+02 -.771E+00 -.413E+01 -.328E+01 -.337E-03 -.145E-03 0.264E-04
0.343E+02 -.356E+01 -.308E+01 -.399E+02 0.228E+01 0.337E+01 0.561E+01 0.128E+01 -.296E+00 0.136E-03 0.188E-03 0.350E-03
0.427E+02 0.300E+02 0.158E+02 -.475E+02 -.316E+02 -.181E+02 0.476E+01 0.158E+01 0.228E+01 0.767E-04 0.608E-03 0.145E-03
-.347E+02 0.280E+02 0.279E+02 0.388E+02 -.298E+02 -.311E+02 -.406E+01 0.182E+01 0.320E+01 -.247E-03 0.381E-03 0.153E-04
0.589E+01 0.472E+02 -.481E+02 -.553E+01 -.496E+02 0.528E+02 -.355E+00 0.247E+01 -.473E+01 -.198E-03 0.339E-03 -.877E-04
-.534E+02 -.839E+01 -.298E+02 0.585E+02 0.771E+01 0.316E+02 -.506E+01 0.686E+00 -.179E+01 -.226E-03 -.117E-03 0.851E-04
0.360E+01 -.533E+02 0.143E+02 -.380E+01 0.581E+02 -.166E+02 0.199E+00 -.486E+01 0.231E+01 -.131E-03 0.366E-04 0.519E-04
0.299E+02 -.137E+02 -.449E+02 -.330E+02 0.138E+02 0.492E+02 0.313E+01 -.113E+00 -.439E+01 -.191E-03 -.412E-04 0.370E-03
-.158E+02 0.203E+02 -.436E+02 0.163E+02 -.232E+02 0.482E+02 -.497E+00 0.290E+01 -.461E+01 0.651E-03 0.436E-05 0.212E-03
-.526E+02 0.310E+01 0.965E+01 0.574E+02 -.317E+01 -.121E+02 -.478E+01 0.741E-01 0.242E+01 0.724E-03 -.810E-05 -.142E-03
0.902E+01 -.455E+02 -.187E+02 -.104E+02 0.505E+02 0.201E+02 0.138E+01 -.501E+01 -.135E+01 0.351E-03 0.404E-03 -.970E-05
0.107E+02 -.221E+02 -.430E+02 -.111E+02 0.231E+02 0.484E+02 0.390E+00 -.946E+00 -.541E+01 0.180E-03 -.539E-04 -.809E-04
0.101E+02 -.532E+02 0.196E+02 -.105E+02 0.581E+02 -.219E+02 0.385E+00 -.491E+01 0.231E+01 0.103E-03 -.218E-03 0.100E-03
0.345E+02 0.184E+02 0.168E+02 -.387E+02 -.213E+02 -.183E+02 0.425E+01 0.291E+01 0.150E+01 0.538E-03 0.371E-03 0.136E-03
0.233E+02 -.574E+02 -.648E+02 -.219E+02 0.619E+02 0.712E+02 -.146E+01 -.445E+01 -.640E+01 0.293E-03 0.130E-03 0.419E-03
0.810E+01 0.238E+02 -.406E+02 -.119E+02 -.271E+02 0.429E+02 0.378E+01 0.333E+01 -.237E+01 -.281E-03 -.223E-03 0.223E-03
-.339E+02 -.595E+02 -.103E+02 0.373E+02 0.638E+02 0.915E+01 -.342E+01 -.428E+01 0.114E+01 0.874E-04 0.581E-04 -.481E-04
-.225E+02 -.276E+01 0.907E+02 0.214E+02 0.541E+01 -.984E+02 0.112E+01 -.267E+01 0.775E+01 0.214E-03 0.119E-03 -.445E-03
0.235E+01 0.102E+03 0.407E+02 -.251E+01 -.110E+03 -.440E+02 0.158E+00 0.759E+01 0.334E+01 -.540E-03 -.694E-03 -.984E-04
-.292E+02 0.484E+02 0.637E+02 0.317E+02 -.525E+02 -.704E+02 -.259E+01 0.408E+01 0.671E+01 -.651E-03 0.357E-03 0.228E-03
-.576E+02 0.477E+02 0.108E+02 0.638E+02 -.521E+02 -.135E+02 -.624E+01 0.438E+01 0.263E+01 -.130E-02 0.839E-03 0.737E-03
0.372E+02 -.318E+02 0.120E+02 -.411E+02 0.359E+02 -.116E+02 0.387E+01 -.415E+01 -.395E+00 -.813E-03 0.352E-03 0.808E-05
-.207E+02 -.301E+01 0.601E+02 0.237E+02 0.390E+01 -.645E+02 -.309E+01 -.902E+00 0.447E+01 -.313E-03 0.700E-04 -.344E-03
0.188E+02 0.428E+02 0.992E+01 -.216E+02 -.477E+02 -.110E+02 0.282E+01 0.498E+01 0.104E+01 -.664E-03 -.308E-03 -.230E-03
-----------------------------------------------------------------------------------------------
-.164E+02 0.156E+02 0.281E+02 -.945E-12 -.164E-11 0.425E-12 0.165E+02 -.156E+02 -.280E+02 -.907E-02 -.328E-03 -.405E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.64143 1.48235 17.06692 -0.017446 0.005869 0.002404
4.49263 1.47510 6.57908 0.025343 0.000245 0.000911
16.87496 4.72557 0.64175 -0.009136 -0.005568 0.008632
5.32170 4.12201 5.03898 -0.002017 0.007496 0.003534
1.68113 1.81408 9.00215 -0.020051 -0.002412 0.006923
4.78404 1.79530 13.44408 0.002495 0.000408 0.001635
1.60965 4.66886 10.60891 0.016804 -0.001518 -0.001455
4.59957 4.61621 11.97994 -0.022857 0.000703 0.002325
0.26186 7.88728 17.00376 0.003386 0.004323 -0.005316
4.32798 7.13213 6.13947 0.009072 0.000428 -0.009378
1.15828 10.23252 2.22920 0.007005 -0.007719 -0.012890
4.20294 9.48956 3.74751 -0.021811 -0.010799 0.002868
1.45956 6.44796 7.93532 -0.003504 -0.009340 -0.005696
4.91577 6.83580 14.41572 0.004934 0.006675 -0.004393
5.04462 9.97598 13.84706 -0.000662 0.008490 -0.005531
1.38541 13.25092 0.04850 -0.014242 -0.003020 -0.001810
4.47253 13.77456 7.04361 0.035772 0.000351 -0.001536
1.67984 15.88340 2.19085 0.025613 0.001837 -0.017419
4.12554 15.98166 4.64086 -0.024684 0.001677 -0.002394
1.45796 14.59383 7.97465 -0.014419 -0.011991 0.009436
4.39398 13.02290 14.77672 0.008670 -0.004870 0.009485
1.58161 16.18453 10.72188 0.016592 0.004504 0.000008
4.61971 15.86250 12.36317 -0.034241 0.001016 0.012865
6.86674 2.10495 15.68320 0.004090 -0.018797 -0.012934
9.96480 1.59547 6.51608 0.023095 0.008761 -0.011158
7.05136 5.23315 2.92542 0.003778 -0.008153 0.005998
9.73924 4.05724 4.25245 -0.030394 0.012414 0.012863
7.25361 1.45415 8.41413 -0.038804 0.006321 -0.006746
9.83821 2.04151 14.59816 0.024098 0.004614 0.011704
7.49536 4.33799 9.97600 0.006959 -0.007388 -0.008182
9.77531 4.37573 12.41533 -0.012700 0.010821 0.007655
7.22705 7.00058 0.30979 -0.011694 0.002092 0.008299
9.97068 7.34601 5.63368 0.015392 0.000414 0.004924
6.98127 9.88701 1.99884 0.037953 -0.002051 0.000672
9.73726 10.17057 3.86365 -0.029709 -0.005233 0.001644
7.63309 6.85541 7.87984 -0.014985 0.007800 0.013786
7.60945 11.17129 11.30158 0.008775 0.013488 0.005543
10.24077 11.37060 12.84042 -0.017156 -0.008128 -0.010452
7.14998 12.18750 16.59049 -0.015048 0.008242 -0.005093
10.22692 13.24457 6.56276 0.025459 0.001578 -0.004632
7.10561 15.96811 3.31250 0.050861 -0.004004 -0.011848
9.98119 15.98254 4.67272 -0.022136 -0.001913 -0.005074
7.45342 13.64043 8.60023 -0.025207 -0.002250 -0.000155
10.19325 13.78574 14.74854 0.028926 0.014367 0.018511
7.32945 16.13788 10.58607 0.022574 0.004627 -0.000766
9.55577 16.50622 12.99633 -0.030529 -0.010271 -0.008113
12.29855 1.15053 16.68727 -0.006060 0.017475 0.009922
15.94793 1.31227 7.49060 0.019051 0.007382 0.001635
14.06763 3.25648 1.45265 0.008647 0.003145 0.005933
15.37355 2.99040 4.61583 -0.002055 0.003167 -0.002691
12.89449 1.79909 8.93226 -0.013095 -0.001079 -0.001171
15.41727 0.15014 15.53904 0.016632 0.004484 -0.002190
12.99677 3.86796 11.40362 0.011899 0.005667 -0.003884
15.87190 5.01759 12.22910 -0.020618 -0.010151 0.003846
13.22628 8.02401 16.93162 -0.010336 -0.015328 0.010902
16.98363 5.51964 5.53546 0.003567 -0.005809 0.009463
12.13062 10.55336 1.50855 0.034315 0.012832 0.003794
16.78553 10.30386 5.11992 0.001345 -0.009912 0.016949
15.25703 8.16995 14.35665 0.014833 0.001795 -0.007509
12.33116 12.13906 11.06568 0.021979 0.005102 0.011013
14.90069 11.26690 12.90029 -0.037306 0.010906 0.016641
12.59170 13.57137 16.79916 -0.017387 -0.000177 0.003771
16.01887 13.07192 6.76045 0.015199 0.002817 0.008569
11.94714 16.26070 1.98765 0.012429 -0.007440 0.004688
14.34958 13.41499 4.27080 -0.007555 0.003228 0.011735
13.15958 13.25388 8.45828 -0.025503 0.002433 -0.001044
15.62515 13.28258 15.23581 0.025088 -0.005580 -0.001857
13.60965 15.77148 10.64962 0.031376 -0.001854 -0.013318
16.15846 15.95274 12.69902 -0.023774 -0.005115 -0.003515
1.36658 0.57012 1.55139 -0.004981 -0.003467 -0.000830
0.90814 3.41901 0.01313 -0.007634 -0.001264 -0.003038
4.02355 5.43066 5.36662 -0.008547 -0.002053 0.014746
3.20699 2.14590 7.86457 -0.001978 0.004415 -0.002778
5.79515 5.02116 10.57020 0.002166 0.003843 0.006686
17.04575 9.11766 1.21154 0.009695 0.000435 0.014346
2.77731 9.21224 2.48741 0.005015 0.004722 0.006084
2.81306 7.56829 7.26105 -0.007676 -0.004073 -0.001735
17.12065 8.39237 9.14037 0.012602 0.005590 -0.012719
3.95732 11.55753 13.54710 -0.000218 0.001253 -0.003537
6.41694 10.12211 12.42891 -0.002714 -0.006541 0.003881
16.91692 8.50780 15.23553 -0.001803 -0.009051 0.004602
1.45048 12.03054 1.55329 -0.003999 0.001845 0.002286
4.79092 14.80700 13.98935 -0.005344 0.007402 -0.002973
3.11858 15.33199 11.36267 -0.001035 0.003589 0.001752
3.00965 12.98264 16.24214 0.007437 -0.008410 -0.004720
10.48077 5.76102 4.69248 -0.012682 0.000536 -0.000309
11.49643 4.95806 11.70352 0.013626 -0.005483 -0.004024
8.52790 2.92198 15.57879 -0.002383 0.000594 -0.010339
10.14652 11.45870 5.54297 -0.009801 0.003374 0.000197
5.80537 7.27855 7.38611 0.004346 -0.007979 -0.002169
6.47178 6.75161 15.62037 -0.002554 0.002713 0.006897
6.87582 12.26226 9.84871 0.000035 0.006545 0.001581
8.78772 12.88222 15.52958 -0.005659 -0.009334 -0.003991
15.83869 1.43918 5.57714 0.004704 0.000219 0.003303
15.29243 2.54508 2.69979 -0.001996 0.005149 -0.003286
14.65490 2.32078 8.39038 0.008566 0.002008 -0.003287
11.64193 2.01776 7.39485 -0.002812 -0.010143 0.002729
12.68806 0.12926 9.88237 0.001156 0.006104 0.009479
15.37241 6.33526 13.63998 -0.003841 -0.000801 -0.005680
13.54294 0.36989 15.51520 0.004281 -0.007806 -0.008614
11.75259 6.99053 7.66728 -0.009331 -0.006736 -0.015428
14.65604 9.39895 13.02307 0.000226 -0.005155 0.002633
11.79536 11.93550 0.23322 -0.001704 0.003725 0.004020
15.58559 14.27021 5.41667 -0.002904 0.005132 -0.007755
12.64636 14.64788 1.25227 -0.003203 -0.007055 -0.000509
16.37292 14.38536 13.79111 -0.004589 -0.008234 -0.001624
6.79847 4.16502 6.13564 -0.000219 0.001601 0.009997
3.44519 2.11601 14.68049 0.015626 0.002869 -0.000024
3.40473 6.39622 15.41289 0.008616 0.000147 0.006532
4.68699 9.80113 15.71234 0.002792 -0.000104 -0.001646
1.37453 15.81612 6.57841 0.001767 -0.008950 -0.006209
7.09051 6.82705 3.84176 0.015113 -0.005787 0.002771
7.62018 10.48071 15.85111 -0.006736 -0.005935 -0.001643
7.41610 15.85097 1.53025 -0.005235 -0.006163 0.009591
15.55437 16.72326 8.03628 0.011764 -0.006334 -0.004357
13.07560 4.75089 1.82560 -0.007484 -0.020630 0.005249
15.87261 16.00177 16.79184 0.003417 0.002082 -0.003516
13.32420 2.60452 12.73825 0.008536 -0.002017 -0.005259
0.55148 6.59086 4.23819 0.017924 -0.012183 0.005616
15.18809 9.39287 4.84119 0.007059 -0.004565 0.014460
11.02979 13.47164 10.75218 -0.001028 0.017572 0.010256
15.23425 13.01985 2.66744 0.011201 0.012885 0.000999
12.82611 15.26773 12.27050 0.000474 0.005714 0.004239
4.40803 11.95419 6.74234 0.022576 0.003061 -0.005869
8.12678 8.21006 9.04327 -0.015258 -0.000855 0.011340
13.25139 17.02639 3.08150 0.007435 -0.003517 -0.014032
13.74887 3.77577 5.08625 0.004884 0.002636 -0.000381
11.37593 6.90328 15.32954 0.011164 0.002890 -0.005353
4.65839 2.62536 5.40243 -0.019740 -0.001925 0.005652
5.77684 4.27592 3.43336 -0.010585 0.007598 -0.010360
0.34427 1.70069 8.04699 -0.012924 0.000892 -0.011314
1.80163 0.52090 10.02569 -0.005549 0.009173 -0.000717
4.75143 3.01555 12.34434 -0.003861 0.001497 -0.001817
1.50889 3.14565 9.98805 0.005055 -0.004537 -0.007530
4.95520 5.61727 13.24757 0.007295 -0.003725 -0.007745
2.96507 4.81096 11.54603 0.010983 0.005318 0.005952
16.29010 1.39876 16.27597 0.003994 -0.005773 -0.005480
16.82518 6.26807 0.05624 -0.001444 -0.004157 0.001752
4.31858 8.27308 4.89421 0.003485 -0.000694 0.003185
5.63237 9.69446 2.96095 -0.000498 -0.004724 -0.001347
0.94982 5.35675 6.79626 -0.002831 0.004157 -0.004535
1.85240 5.69265 9.33312 -0.007196 0.006708 0.010376
4.75645 8.28809 13.57938 0.001316 0.000820 -0.001550
0.07726 7.35474 8.20145 0.014934 -0.004064 -0.014066
4.28088 14.65744 5.60848 -0.004555 0.005790 -0.002893
1.65937 14.75290 0.95015 0.004326 -0.004553 0.000679
4.07933 0.13609 5.63686 -0.002632 -0.004893 -0.012635
5.62152 16.05861 3.83464 -0.038139 -0.001074 0.020506
3.00962 15.90865 3.37742 0.015590 -0.001796 0.004782
3.08252 14.09556 7.94857 -0.019436 0.010482 0.015147
0.23040 13.47333 7.69702 0.011873 0.001730 0.004862
1.10924 15.18632 9.46973 0.001887 0.000134 -0.012148
4.55365 0.32133 12.75882 -0.004901 0.004676 -0.001518
5.91017 15.72258 11.29926 0.006861 0.005951 -0.018642
16.98676 13.16121 16.30447 0.000288 0.006427 0.006944
9.65945 2.88635 5.47648 -0.008532 -0.005765 0.002580
8.38987 4.29327 3.31737 -0.013862 -0.002188 0.001792
8.63095 1.34837 7.47118 -0.002785 -0.003165 0.008929
5.92560 1.23584 7.41081 0.001865 0.003261 -0.002835
7.23009 0.30268 9.59074 0.004788 -0.003679 0.000009
10.15413 2.86971 13.21203 0.003735 -0.001732 -0.003854
7.20250 2.90263 9.16150 0.005276 0.000271 -0.004280
9.15123 5.39111 13.44090 0.021960 -0.007026 -0.009902
8.72430 4.11134 11.04004 0.008943 -0.006799 0.002883
6.24935 1.79370 14.18211 -0.000485 0.001790 0.008236
6.87734 5.68395 1.32928 -0.008780 -0.008396 0.006288
9.84048 8.69230 4.65472 -0.001552 0.000246 -0.003288
7.03736 8.42523 1.15386 -0.010985 -0.006551 -0.001936
10.91720 10.34089 2.66840 -0.003183 -0.007625 0.002240
8.28396 10.10320 3.07471 -0.005521 0.002746 -0.012775
8.65370 6.97984 6.56421 0.004830 -0.002754 -0.009459
7.85724 5.44242 8.74743 -0.007574 -0.004990 0.009092
10.10736 10.04869 13.80404 0.012463 -0.011487 -0.006690
10.83764 12.62432 13.70490 0.011908 0.007475 0.009275
11.31387 10.95629 11.63490 -0.000069 -0.001172 -0.002043
8.79009 11.87379 12.23839 -0.002433 -0.002502 -0.011653
8.85685 6.92788 0.03714 -0.000837 0.001259 0.027067
6.87640 11.19735 1.06719 -0.021181 -0.004364 -0.011600
10.26958 14.61343 5.54590 0.000584 0.000217 0.002574
10.18824 0.20632 5.55026 -0.000672 0.001440 0.002164
10.69162 16.02918 3.16057 -0.003106 0.001427 0.003334
8.30747 15.92978 4.34450 0.008972 0.000902 -0.010713
8.82132 13.37231 7.56582 0.000836 0.004703 0.001230
6.01036 14.02524 7.72942 -0.001547 -0.000337 -0.003571
9.76317 15.09488 13.81728 -0.001878 0.001937 -0.003053
7.81135 14.92527 9.56763 -0.004522 0.004768 0.013319
9.32250 0.52841 14.12722 -0.003283 -0.008312 -0.006857
8.39185 16.36979 11.82395 -0.000923 0.001573 0.007431
5.76878 12.65295 15.62098 -0.002148 0.002222 0.007123
11.64961 0.18929 0.72808 0.000420 -0.005147 -0.013336
13.23684 2.28645 0.45688 -0.008125 -0.018932 -0.012974
16.60541 4.08145 4.83068 -0.003100 0.000500 -0.000852
12.61840 3.04298 10.00466 -0.000689 0.003072 -0.000695
0.18363 5.11106 11.39161 0.002036 -0.005761 -0.009628
14.49972 4.73254 11.30755 0.002962 -0.002217 0.003975
11.14576 1.80554 15.70259 0.002257 -0.002002 -0.007699
14.28814 7.45115 0.94456 -0.001399 0.021136 -0.001273
12.46577 9.25642 0.51299 0.009984 -0.007419 -0.006373
16.43057 11.67488 5.98593 -0.002468 0.001630 -0.001250
0.41630 10.55239 3.71526 0.001854 0.010944 0.000457
15.60019 6.13468 6.19160 0.002918 -0.001698 -0.016088
11.21573 7.79699 6.62103 0.003443 0.000717 0.019606
15.25747 11.88578 14.40412 0.001805 0.004871 0.007820
16.25305 11.55201 11.97478 0.014087 0.011068 -0.030963
13.64161 12.04631 12.11212 0.003081 -0.000386 0.006503
14.09697 8.35608 15.56724 -0.013749 -0.000263 0.014616
12.17496 6.83237 16.52216 0.002515 0.010542 -0.002048
14.57434 12.94061 7.62618 0.006054 -0.006412 0.006721
11.72954 13.33790 7.47133 -0.003622 -0.003850 0.002509
12.95188 11.98911 9.51828 0.008548 -0.004438 -0.006374
13.50919 14.60609 9.39418 0.000995 0.010165 0.008992
15.85679 17.08515 13.91942 -0.004915 0.003698 0.003602
0.46195 16.24061 11.95940 0.008851 0.003083 0.000682
15.13841 16.00732 11.36418 -0.010839 0.000482 -0.000703
14.17683 13.51581 16.11886 -0.006790 -0.000845 0.004982
11.53287 14.18880 15.67992 -0.013059 -0.003190 -0.008962
16.92502 4.80545 2.12136 0.010229 -0.004070 -0.003593
1.60022 0.97318 16.06480 0.008977 0.009460 -0.000916
3.92699 10.74295 4.47992 0.026864 0.003712 0.001987
0.19236 8.00787 10.19162 0.012453 -0.009492 -0.001494
1.71832 7.63761 17.04366 0.003284 -0.006549 0.012441
16.08899 8.77114 9.12495 -0.001604 -0.006401 -0.010258
6.95581 0.80841 16.43438 0.008883 0.003121 -0.000059
5.89754 2.96628 16.43791 0.014441 0.005764 -0.002560
10.71576 3.42564 3.31436 0.007175 -0.005512 0.002330
8.33838 10.11196 10.56591 -0.015672 -0.011080 0.005573
7.05680 13.36286 0.39846 0.027605 -0.005517 0.005868
10.76898 16.86954 12.24931 0.011842 0.000689 0.003205
15.38340 4.13028 0.42844 -0.000643 0.001995 0.000389
16.09618 3.80489 13.07046 0.012625 0.012329 0.000336
0.59511 9.54570 6.01775 0.004556 0.017197 -0.005889
13.34866 10.76309 2.33484 -0.016862 -0.009000 0.008675
12.14332 7.65880 8.44822 0.013032 0.001898 0.016436
12.58491 6.37140 7.28921 -0.002718 0.001291 0.008279
13.16207 14.29854 4.08540 -0.002076 -0.004216 -0.013279
0.54968 15.53760 3.09463 -0.009893 -0.005454 -0.000337
13.80374 12.16565 4.87623 0.002530 -0.001560 -0.009995
0.91251 1.01843 2.45743 0.002590 -0.002110 -0.005363
1.87530 3.64538 0.50107 0.006359 0.006060 0.009641
3.25540 4.96655 6.00803 0.008142 -0.002890 -0.014010
2.79201 3.00584 7.29888 -0.006621 -0.009721 0.004474
5.98179 6.10546 10.68984 0.002738 -0.009195 0.001115
16.24024 9.78471 0.85692 -0.009601 -0.003702 -0.014816
2.41827 8.17372 2.61359 0.001432 0.000801 0.002691
2.22987 8.29980 6.66830 -0.003337 -0.006812 -0.000850
2.88364 11.35409 13.71283 -0.002115 -0.010143 -0.015450
5.78698 9.61154 11.66400 -0.004660 0.002875 0.003237
0.57230 8.18260 14.59321 -0.018217 -0.000568 0.014580
0.85688 12.59206 2.29830 0.004940 0.003759 -0.014223
5.86613 14.88016 14.24464 0.008344 -0.003749 0.024434
2.69265 14.46175 11.89751 0.006153 -0.002996 0.001762
3.07120 11.88378 16.39494 -0.003406 0.008506 -0.008527
10.75099 6.10321 3.67163 -0.017996 -0.001041 0.016767
11.29303 5.49336 10.75783 -0.014217 -0.006889 0.005433
8.42775 3.90762 15.07484 -0.000652 -0.004798 -0.002013
11.19653 11.12119 5.65302 0.011280 0.013083 0.016565
5.85718 8.38291 7.49844 0.000303 0.006909 -0.000242
6.79097 5.69766 15.47626 -0.001862 -0.008467 0.001299
6.41352 11.46008 9.23862 -0.010544 -0.000405 -0.017726
9.36622 11.94573 15.64194 -0.002937 0.008126 -0.001746
16.80949 1.09249 5.17487 -0.013004 0.004622 0.022489
15.21573 1.45125 2.63141 -0.001578 -0.002960 0.002105
14.56490 3.34753 7.99746 -0.010732 -0.004266 0.003761
12.33267 1.81840 6.55015 -0.013258 -0.006267 0.000663
11.94717 16.72727 9.27131 -0.015055 0.003396 -0.015192
15.88848 5.83332 14.48520 0.005968 0.002098 0.001147
13.33080 0.90547 14.57407 -0.017717 0.005653 0.000219
13.56486 9.21345 13.02591 -0.014302 0.010488 -0.011632
11.55016 11.36066 16.46022 -0.007446 -0.004885 -0.004101
15.14674 15.18451 5.83610 -0.001792 0.002789 -0.003237
12.40823 13.89104 2.02070 0.006583 -0.003563 -0.001790
16.66900 13.56301 13.11121 -0.012655 0.006115 0.015727
2.37347 1.04131 1.51028 0.009993 -0.007087 0.011084
1.01728 3.64930 16.09087 -0.012811 0.001206 0.009017
3.51829 5.62520 4.40590 -0.018625 -0.000365 -0.019688
3.91630 2.61590 8.57643 0.004640 -0.005875 -0.001536
5.20825 4.94351 9.63416 -0.010696 -0.002216 -0.000870
16.56891 8.53519 2.02101 0.004689 -0.001392 -0.004789
3.27063 9.21400 1.49478 -0.019845 0.006850 0.004759
3.19623 8.15492 8.11611 0.014618 -0.000617 -0.003517
4.05403 11.91719 12.50931 -0.008196 0.004224 -0.006482
7.14380 9.32508 12.68836 -0.003183 0.009480 0.001777
17.01008 9.60811 15.31218 0.000420 0.006060 0.007614
2.49587 12.22428 1.87115 0.011356 -0.003812 0.017789
4.30479 15.47839 14.72808 -0.000841 0.003891 -0.013605
3.56208 14.89726 10.44787 -0.016066 0.007128 -0.002239
3.65710 13.36754 17.05876 0.005939 -0.005946 -0.001141
11.45871 5.51572 5.15080 -0.001265 0.011648 0.013963
11.76751 5.74689 12.42876 0.009607 -0.007971 -0.001475
8.86556 3.10267 16.61261 0.028563 -0.000508 0.005321
9.60836 10.85593 6.30031 0.004349 -0.003125 -0.013697
5.27719 6.97417 8.31472 0.015149 -0.001769 -0.000493
7.25872 7.30507 15.06990 -0.005111 -0.002302 0.008224
6.00962 12.81917 10.26246 0.011403 0.005183 -0.020060
8.25315 12.70077 14.57003 -0.008673 -0.003017 -0.000520
15.11241 0.65300 5.29724 -0.010874 -0.005466 -0.015415
16.30915 2.77753 2.33619 -0.002924 -0.000766 0.019569
15.10618 2.46735 9.39254 0.010492 -0.002492 -0.000388
11.57917 3.12519 7.40566 0.001055 0.007323 -0.001200
12.08778 0.48379 10.74504 0.007395 0.004052 -0.011703
14.32476 5.97470 13.73294 0.011452 -0.007125 -0.018977
13.18046 16.49018 15.32357 -0.008037 -0.009462 -0.012701
15.00807 9.01817 12.04678 -0.006305 -0.001244 0.006891
10.81455 12.37932 0.50301 0.008313 0.008270 -0.011753
16.46555 14.55596 4.82030 -0.006514 -0.006865 0.021303
13.71959 14.84677 1.43001 0.001524 0.012014 0.016170
0.18276 14.69747 14.29218 0.003364 -0.007297 0.017885
6.47725 4.19506 7.18265 0.014871 -0.001589 -0.002390
7.36840 3.23956 5.99859 0.007746 -0.000323 0.006662
7.48187 5.00224 5.96763 0.002393 -0.002243 0.006176
3.54515 3.12876 15.09777 0.001656 -0.005344 -0.004793
2.45412 2.02641 14.21459 -0.011469 -0.001580 -0.011728
3.49941 1.39945 15.51044 0.007610 -0.000656 -0.007712
3.30853 7.04401 16.29134 0.009638 0.002810 -0.013761
2.47809 6.44610 14.82341 -0.013768 0.002809 -0.015051
3.52798 5.36360 15.77753 0.005318 0.011815 -0.010067
5.12604 8.91004 16.17419 0.007055 0.001285 0.005589
4.88345 10.65985 16.35530 0.007873 -0.000217 0.000001
3.59157 9.63654 15.67429 0.016970 0.002104 -0.016210
0.37536 16.21446 6.39279 -0.003350 0.004347 -0.004271
2.05631 16.65685 6.74518 0.004570 0.003584 0.004678
1.68763 15.29325 5.66154 -0.005943 0.004336 0.006630
6.22570 7.42186 3.53509 -0.010874 0.008158 -0.003926
7.07534 6.73602 4.92962 0.001782 0.002728 0.000760
7.98070 7.40631 3.56120 -0.009895 -0.004002 0.006303
6.93340 9.68421 16.12853 0.011149 0.009393 0.000367
7.73970 10.50580 14.76070 -0.001631 0.006060 0.007517
8.60053 10.19190 16.26041 0.016809 -0.003156 0.010878
7.23733 14.79287 1.18999 -0.007705 0.006374 0.001174
6.72808 16.49941 0.97044 -0.014787 0.004998 -0.014067
8.45766 16.11562 1.30334 -0.021330 0.000855 0.024048
16.16873 15.91493 7.64137 -0.004048 0.010649 0.002612
15.66301 16.69206 9.13051 0.003780 0.001247 0.001053
14.50444 16.49591 7.80232 -0.008935 -0.003795 -0.007830
12.24095 4.40858 2.46159 0.010407 0.002654 -0.010895
13.63433 5.53439 2.34991 0.008969 0.009679 0.006400
12.64836 5.17727 0.90559 -0.011940 0.010559 -0.013516
16.93337 15.72919 16.75408 0.000761 -0.007205 0.007330
15.26388 15.09864 16.81739 -0.001633 -0.003366 -0.004179
15.75139 16.50915 0.60831 0.004457 -0.001637 -0.004662
14.24837 2.04109 12.54257 -0.000528 -0.003889 0.010614
13.42191 3.09343 13.71945 0.008338 -0.000554 0.006257
12.47158 1.91511 12.79252 -0.001349 -0.000124 -0.003811
0.93082 7.53846 4.64483 -0.002760 0.002326 0.004566
1.38462 6.08095 3.73198 -0.020397 0.001109 0.019028
16.93723 6.82537 3.44237 -0.016779 0.005109 -0.013724
14.56718 9.90622 4.09321 -0.015150 0.005029 -0.016929
15.35606 8.36357 4.49631 -0.000175 0.007876 -0.003193
14.60769 9.33652 5.77548 0.024389 0.010229 -0.019515
11.33341 14.37605 10.22512 -0.001944 -0.001087 -0.005431
10.36861 12.91446 10.06782 -0.018350 -0.002678 -0.020146
10.41915 13.75673 11.61176 0.012790 -0.005399 -0.011721
15.69416 13.91771 2.22774 -0.011593 -0.005238 0.011534
16.04181 12.31061 2.89578 -0.002813 -0.000461 0.007590
14.59296 12.55113 1.91332 -0.012327 -0.007507 -0.013884
13.38701 14.41664 12.68147 0.005863 -0.002540 -0.000511
13.00083 16.12788 12.93580 0.008962 0.002310 -0.004204
11.77027 15.03019 12.31772 -0.004585 0.003567 -0.010016
3.45637 11.64952 6.29186 -0.017631 -0.006711 -0.014258
5.22887 11.59822 6.10584 -0.013904 0.012612 0.010436
4.48823 11.45674 7.72176 0.002099 -0.001354 0.001192
9.15623 8.06435 9.40049 0.017700 0.002341 0.012951
8.07444 9.19691 8.56230 0.000463 -0.001030 -0.003544
7.47438 8.22654 9.92839 0.014934 -0.006348 -0.020225
13.34952 16.44582 4.00789 0.012138 -0.003288 0.010710
14.22944 17.02625 2.58213 -0.011372 -0.001234 0.006910
12.97642 0.90651 3.34946 0.000800 0.002842 0.001044
13.67267 3.95048 6.16572 0.012405 -0.006333 -0.006169
13.67433 4.75773 4.59853 -0.007875 -0.000891 -0.000276
12.88878 3.16832 4.76868 -0.007686 -0.006596 -0.006672
15.80614 6.68451 6.98141 0.009227 0.001272 -0.003829
10.99355 6.33130 8.12368 0.002802 0.001250 0.001094
0.65296 9.22761 8.95311 -0.000354 0.000244 0.005467
16.09487 11.86356 11.06785 -0.003726 -0.014676 0.044580
10.09076 9.17250 13.38439 0.002454 0.014374 0.004678
9.09204 6.43897 16.39338 -0.005593 -0.000092 0.000322
15.03338 6.92211 0.60069 0.014172 -0.006621 0.000851
10.63473 7.71291 15.40866 -0.008956 -0.000217 -0.005252
12.00942 7.08719 14.44499 -0.013589 -0.003217 0.003274
10.85430 5.94919 15.17477 -0.009811 -0.003137 -0.004177
-----------------------------------------------------------------------------------
total drift: 0.024584 -0.035943 0.069972
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4547501520 eV
energy without entropy= -2279.4784316771 energy(sigma->0) = -2279.46264399
d Force = 0.2902651E-02[ 0.120E-02, 0.461E-02] d Energy = 0.2901375E-02 0.128E-05
d Force =-0.7833883E+00[-0.784E+00,-0.783E+00] d Ewald =-0.7833878E+00-0.510E-06
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
Conjugate gradient step on ions:
trial-energy change: -0.002901 1 .order -0.002903 -0.004610 -0.001196
(g-gl).g = 0.774E-02 g.g = 0.774E-02 gl.gl = 0.959E-02
g(Force) = 0.774E-02 g(Stress)= 0.000E+00 ortho = 0.108E-05
gamma = 0.80692
trial = 0.59554
opt step = 0.80414 (harmonic = 0.80414) maximal distance =0.00273452
next E = -2279.454961 (d E = -0.00311)
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 7 -------------------------------------------
--------------------------------------- Iteration 7( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1616
total energy-change (2. order) :-0.1267340E-03 (-0.4774383E-02)
number of electron 1204.0000382 magnetization
augmentation part 54.0273522 magnetization
free energy = -0.227945487822E+04 energy without entropy= -0.227947856054E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 7( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) :-0.9978420E-04 (-0.1209946E-03)
number of electron 1204.0000382 magnetization
augmentation part 54.0273176 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.8804
0.8804
free energy = -0.227945497800E+04 energy without entropy= -0.227947865731E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 7( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1568
total energy-change (2. order) : 0.1426655E-04 (-0.2781221E-05)
number of electron 1204.0000382 magnetization
augmentation part 54.0273550 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.5089
0.9869 2.0309
free energy = -0.227945496373E+04 energy without entropy= -0.227947864399E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 7( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1792
total energy-change (2. order) : 0.3053909E-05 (-0.5952826E-05)
number of electron 1204.0000382 magnetization
augmentation part 54.0273550 magnetization
free energy = -0.227945496068E+04 energy without entropy= -0.227947864187E+04
--------------------------------------------------------------------------------------------------------
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 -89.4942 2 -89.9801 3 -90.3002 4 -88.6800 5 -89.6467
6 -88.9000 7 -90.0168 8 -89.2663 9 -89.2480 10 -88.8403
11 -89.0641 12 -88.8710 13 -89.4145 14 -88.7283 15 -88.5942
16 -89.8683 17 -89.9125 18 -90.1363 19 -91.0195 20 -89.6093
21 -88.6584 22 -89.4899 23 -89.0078 24 -88.1911 25 -90.1271
26 -89.0590 27 -89.2903 28 -90.0674 29 -89.1010 30 -89.1704
31 -87.6696 32 -89.1465 33 -89.3376 34 -89.1684 35 -90.0050
36 -88.8517 37 -88.5442 38 -89.2815 39 -87.9805 40 -90.6591
41 -91.3728 42 -90.9545 43 -90.1205 44 -88.9906 45 -89.8696
46 -89.1874 47 -90.1139 48 -88.5505 49 -90.4859 50 -89.1403
51 -88.8820 52 -89.3178 53 -88.5562 54 -89.3746 55 -89.4719
56 -89.2700 57 -89.2434 58 -88.9841 59 -89.0373 60 -89.3995
61 -89.4625 62 -89.4788 63 -89.7233 64 -89.7919 65 -88.0725
66 -90.4181 67 -90.2066 68 -89.2939 69 -89.8220 70 -54.0380
71 -54.2554 72 -52.8470 73 -53.4355 74 -52.8704 75 -53.3180
76 -53.0815 77 -53.0840 78 -54.7522 79 -52.7253 80 -52.9726
81 -53.3588 82 -53.2367 83 -52.9002 84 -52.8317 85 -53.0981
86 -53.1997 87 -52.2544 88 -52.4846 89 -53.6622 90 -53.0838
91 -52.8007 92 -53.3785 93 -51.8844 94 -53.3733 95 -54.1971
96 -52.8668 97 -53.4084 98 -53.1045 99 -53.3665 100 -53.2746
101 -54.3873 102 -53.1382 103 -53.0874 104 -53.1401 105 -53.3679
106 -53.3435 107 -52.5674 108 -52.8827 109 -52.7275 110 -52.5293
111 -53.1342 112 -52.4196 113 -51.6008 114 -54.5311 115 -52.8286
116 -53.7391 117 -53.1758 118 -52.6507 119 -53.3523 120 -52.8718
121 -52.7885 122 -53.1628 123 -52.6541 124 -53.1194 125 -52.6294
126 -53.6005 127 -53.3825 128 -54.0579 129 -75.3059 130 -75.0439
131 -75.2949 132 -75.4255 133 -75.0660 134 -75.3750 135 -74.9170
136 -75.2209 137 -75.6987 138 -76.5089 139 -75.1836 140 -74.9502
141 -75.5613 142 -75.5553 143 -74.6245 144 -75.6791 145 -75.9792
146 -75.6556 147 -75.9817 148 -77.2972 149 -76.0948 150 -75.5491
151 -75.5177 152 -75.3316 153 -75.1240 154 -75.2200 155 -75.5443
156 -75.5371 157 -75.2800 158 -75.6400 159 -75.5633 160 -75.4324
161 -74.3864 162 -75.1620 163 -71.5224 164 -74.4259 165 -74.9833
166 -74.9934 167 -75.3217 168 -74.8470 169 -75.4029 170 -75.0074
171 -75.2510 172 -74.8958 173 -75.2577 174 -74.9265 175 -75.1537
176 -75.1189 177 -74.6746 178 -73.5305 179 -76.0567 180 -75.9992
181 -76.0992 182 -77.2428 183 -75.6460 184 -75.5265 185 -75.1873
186 -75.4027 187 -75.0890 188 -75.3706 189 -74.1785 190 -75.8353
191 -76.4981 192 -75.7122 193 -74.8920 194 -75.5054 195 -75.0221
196 -75.3959 197 -75.4681 198 -75.4157 199 -75.4981 200 -75.3690
201 -75.2665 202 -75.1152 203 -75.4765 204 -75.4173 205 -75.4254
206 -75.3661 207 -75.1688 208 -75.6331 209 -75.5827 210 -75.3839
211 -75.4246 212 -75.5145 213 -75.3754 214 -75.3226 215 -75.5276
216 -75.1567 217 -36.7697 218 -35.8226 219 -35.1590 220 -36.9837
221 -35.7611 222 -37.0770 223 -35.1565 224 -35.0576 225 -35.4625
226 -34.9187 227 -33.9913 228 -35.2904 229 -37.6126 230 -35.2335
231 -35.4255 232 -35.4054 233 -36.6585 234 -36.6399 235 -35.6060
236 -36.0165 237 -35.4124 238 -37.6578 239 -37.9895 240 -36.9205
241 -37.1741 242 -36.7181 243 -37.0864 244 -37.0180 245 -37.0343
246 -36.5778 247 -36.7980 248 -37.2160 249 -37.0865 250 -36.5697
251 -36.8855 252 -36.9059 253 -37.0771 254 -36.1910 255 -36.1441
256 -36.8755 257 -37.0013 258 -36.4618 259 -37.1376 260 -36.0740
261 -37.3307 262 -38.0741 263 -36.8577 264 -37.2357 265 -36.9862
266 -37.1100 267 -37.1642 268 -37.0163 269 -36.8387 270 -37.2110
271 -37.2938 272 -36.9423 273 -37.7386 274 -37.9387 275 -36.9811
276 -37.1872 277 -36.8355 278 -37.2226 279 -36.9524 280 -37.0570
281 -36.5002 282 -36.6063 283 -37.2377 284 -37.0877 285 -36.7378
286 -36.8062 287 -36.8263 288 -37.1058 289 -36.1697 290 -36.6247
291 -36.8837 292 -36.9995 293 -36.3618 294 -37.0573 295 -36.1064
296 -37.4009 297 -38.2212 298 -36.9042 299 -37.1105 300 -36.9170
301 -37.1135 302 -37.2757 303 -37.0145 304 -36.9935 305 -37.1686
306 -37.4099 307 -37.1633 308 -36.5680 309 -36.5479 310 -36.6618
311 -36.7744 312 -36.7232 313 -36.7971 314 -36.5948 315 -36.6175
316 -36.6561 317 -36.3226 318 -36.1852 319 -36.4992 320 -37.0548
321 -36.9634 322 -37.1349 323 -36.3477 324 -36.4454 325 -36.4117
326 -35.5510 327 -35.5369 328 -35.5321 329 -37.6901 330 -38.0701
331 -38.0276 332 -36.8439 333 -36.7038 334 -36.8279 335 -37.5653
336 -37.4394 337 -37.1840 338 -37.1285 339 -37.1301 340 -37.2931
341 -36.4920 342 -36.5812 343 -36.4558 344 -37.1609 345 -37.2062
346 -37.2492 347 -36.6557 348 -36.6684 349 -36.6219 350 -36.6857
351 -36.6070 352 -36.5386 353 -37.0041 354 -36.9507 355 -36.9280
356 -36.5380 357 -36.6347 358 -36.4919 359 -36.8521 360 -36.8596
361 -37.0056 362 -36.4368 363 -36.5247 364 -36.4984 365 -37.3978
366 -37.5946 367 -37.5272 368 -37.1292 369 -37.1955 370 -37.3164
371 -39.1967 372 -36.7010 373 -37.0087 374 -39.7391 375 -39.5569
376 -38.9512 377 -39.7484 378 -36.3323 379 -36.4850 380 -36.1901
E-fermi : 0.8013 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.8013133410
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6500 2.00000
2 -21.2105 2.00000
3 -20.6546 2.00000
4 -20.5248 2.00000
5 -20.5033 2.00000
6 -20.4015 2.00000
7 -20.3369 2.00000
8 -20.2635 2.00000
9 -20.2470 2.00000
10 -20.2076 2.00000
11 -20.1870 2.00000
12 -20.1573 2.00000
13 -20.1433 2.00000
14 -20.0998 2.00000
15 -20.0963 2.00000
16 -20.0734 2.00000
17 -20.0177 2.00000
18 -19.9194 2.00000
19 -19.8714 2.00000
20 -19.8283 2.00000
21 -19.8004 2.00000
22 -19.7740 2.00000
23 -19.7382 2.00000
24 -19.7204 2.00000
25 -19.6964 2.00000
26 -19.6776 2.00000
27 -19.6633 2.00000
28 -19.6399 2.00000
29 -19.6200 2.00000
30 -19.6121 2.00000
31 -19.5817 2.00000
32 -19.5629 2.00000
33 -19.5122 2.00000
34 -19.4814 2.00000
35 -19.4677 2.00000
36 -19.4461 2.00000
37 -19.4219 2.00000
38 -19.3997 2.00000
39 -19.3515 2.00000
40 -19.3286 2.00000
41 -19.3077 2.00000
42 -19.2995 2.00000
43 -19.2863 2.00000
44 -19.2777 2.00000
45 -19.2322 2.00000
46 -19.2278 2.00000
47 -19.1930 2.00000
48 -19.1857 2.00000
49 -19.1794 2.00000
50 -19.1439 2.00000
51 -19.1375 2.00000
52 -19.1208 2.00000
53 -19.1072 2.00000
54 -19.0851 2.00000
55 -19.0665 2.00000
56 -19.0479 2.00000
57 -19.0323 2.00000
58 -19.0218 2.00000
59 -19.0083 2.00000
60 -18.9807 2.00000
61 -18.9640 2.00000
62 -18.9510 2.00000
63 -18.9451 2.00000
64 -18.9365 2.00000
65 -18.9027 2.00000
66 -18.8610 2.00000
67 -18.8582 2.00000
68 -18.8530 2.00000
69 -18.8496 2.00000
70 -18.7918 2.00000
71 -18.7883 2.00000
72 -18.7758 2.00000
73 -18.7644 2.00000
74 -18.7310 2.00000
75 -18.6986 2.00000
76 -18.6626 2.00000
77 -18.6473 2.00000
78 -18.6287 2.00000
79 -18.6104 2.00000
80 -18.5780 2.00000
81 -18.4859 2.00000
82 -18.3669 2.00000
83 -18.3359 2.00000
84 -18.3033 2.00000
85 -18.0563 2.00000
86 -17.9737 2.00000
87 -17.1836 2.00000
88 -15.1355 2.00000
89 -13.6169 2.00000
90 -13.5490 2.00000
91 -13.2324 2.00000
92 -13.0473 2.00000
93 -12.9483 2.00000
94 -12.8499 2.00000
95 -12.7739 2.00000
96 -12.7407 2.00000
97 -12.7334 2.00000
98 -12.6735 2.00000
99 -12.6254 2.00000
100 -12.5631 2.00000
101 -12.5234 2.00000
102 -12.4861 2.00000
103 -12.4617 2.00000
104 -12.4193 2.00000
105 -12.4006 2.00000
106 -12.3699 2.00000
107 -12.3411 2.00000
108 -12.3108 2.00000
109 -12.2866 2.00000
110 -12.2684 2.00000
111 -12.2293 2.00000
112 -12.2203 2.00000
113 -12.1954 2.00000
114 -12.1463 2.00000
115 -12.1387 2.00000
116 -12.1064 2.00000
117 -12.1034 2.00000
118 -12.0637 2.00000
119 -12.0458 2.00000
120 -11.9971 2.00000
121 -11.9797 2.00000
122 -11.9448 2.00000
123 -11.9159 2.00000
124 -11.9130 2.00000
125 -11.8855 2.00000
126 -11.8669 2.00000
127 -11.8446 2.00000
128 -11.8314 2.00000
129 -11.8279 2.00000
130 -11.7852 2.00000
131 -11.7605 2.00000
132 -11.7331 2.00000
133 -11.7209 2.00000
134 -11.6784 2.00000
135 -11.6172 2.00000
136 -11.6023 2.00000
137 -11.5927 2.00000
138 -11.5763 2.00000
139 -11.5193 2.00000
140 -11.5139 2.00000
141 -11.4447 2.00000
142 -11.4100 2.00000
143 -11.3922 2.00000
144 -11.3276 2.00000
145 -11.1679 2.00000
146 -11.0528 2.00000
147 -11.0489 2.00000
148 -10.6317 2.00000
149 -10.4855 2.00000
150 -10.3836 2.00000
151 -10.1417 2.00000
152 -10.0941 2.00000
153 -10.0598 2.00000
154 -9.8785 2.00000
155 -9.8289 2.00000
156 -9.8122 2.00000
157 -9.7730 2.00000
158 -9.6472 2.00000
159 -9.5934 2.00000
160 -9.4837 2.00000
161 -9.4722 2.00000
162 -9.3983 2.00000
163 -9.3750 2.00000
164 -9.3353 2.00000
165 -9.3030 2.00000
166 -9.1961 2.00000
167 -9.1800 2.00000
168 -9.1590 2.00000
169 -9.0751 2.00000
170 -8.9833 2.00000
171 -8.9666 2.00000
172 -8.9197 2.00000
173 -8.8781 2.00000
174 -8.8321 2.00000
175 -8.7994 2.00000
176 -8.7286 2.00000
177 -8.6917 2.00000
178 -8.6466 2.00000
179 -8.5831 2.00000
180 -8.4479 2.00000
181 -8.4003 2.00000
182 -8.3271 2.00000
183 -8.2752 2.00000
184 -8.2160 2.00000
185 -8.1843 2.00000
186 -8.1652 2.00000
187 -8.0948 2.00000
188 -8.0782 2.00000
189 -8.0277 2.00000
190 -7.9753 2.00000
191 -7.9578 2.00000
192 -7.9119 2.00000
193 -7.8360 2.00000
194 -7.7768 2.00000
195 -7.7347 2.00000
196 -7.6970 2.00000
197 -7.6597 2.00000
198 -7.6280 2.00000
199 -7.5870 2.00000
200 -7.5671 2.00000
201 -7.5378 2.00000
202 -7.5103 2.00000
203 -7.4763 2.00000
204 -7.4318 2.00000
205 -7.4069 2.00000
206 -7.3346 2.00000
207 -7.3320 2.00000
208 -7.2855 2.00000
209 -7.2613 2.00000
210 -7.2417 2.00000
211 -7.1999 2.00000
212 -7.1814 2.00000
213 -7.1419 2.00000
214 -7.1194 2.00000
215 -7.0846 2.00000
216 -7.0455 2.00000
217 -7.0204 2.00000
218 -6.9827 2.00000
219 -6.9570 2.00000
220 -6.9210 2.00000
221 -6.8821 2.00000
222 -6.8078 2.00000
223 -6.7806 2.00000
224 -6.7428 2.00000
225 -6.7014 2.00000
226 -6.6861 2.00000
227 -6.6803 2.00000
228 -6.6596 2.00000
229 -6.6446 2.00000
230 -6.5979 2.00000
231 -6.5839 2.00000
232 -6.5266 2.00000
233 -6.4968 2.00000
234 -6.4784 2.00000
235 -6.3944 2.00000
236 -6.3629 2.00000
237 -6.3202 2.00000
238 -6.2935 2.00000
239 -6.2175 2.00000
240 -6.1813 2.00000
241 -6.1526 2.00000
242 -6.1204 2.00000
243 -6.0955 2.00000
244 -6.0703 2.00000
245 -6.0430 2.00000
246 -6.0331 2.00000
247 -6.0053 2.00000
248 -5.9968 2.00000
249 -5.9561 2.00000
250 -5.9031 2.00000
251 -5.8796 2.00000
252 -5.8475 2.00000
253 -5.8204 2.00000
254 -5.7792 2.00000
255 -5.7709 2.00000
256 -5.7523 2.00000
257 -5.7392 2.00000
258 -5.7284 2.00000
259 -5.7122 2.00000
260 -5.7050 2.00000
261 -5.6854 2.00000
262 -5.6564 2.00000
263 -5.6369 2.00000
264 -5.6198 2.00000
265 -5.6032 2.00000
266 -5.5777 2.00000
267 -5.5685 2.00000
268 -5.5383 2.00000
269 -5.5220 2.00000
270 -5.5153 2.00000
271 -5.4915 2.00000
272 -5.4761 2.00000
273 -5.4534 2.00000
274 -5.4438 2.00000
275 -5.4328 2.00000
276 -5.4260 2.00000
277 -5.4038 2.00000
278 -5.3979 2.00000
279 -5.3819 2.00000
280 -5.3546 2.00000
281 -5.3444 2.00000
282 -5.3139 2.00000
283 -5.2970 2.00000
284 -5.2845 2.00000
285 -5.2774 2.00000
286 -5.2652 2.00000
287 -5.2528 2.00000
288 -5.2370 2.00000
289 -5.2261 2.00000
290 -5.2121 2.00000
291 -5.2000 2.00000
292 -5.1836 2.00000
293 -5.1832 2.00000
294 -5.1705 2.00000
295 -5.1504 2.00000
296 -5.1447 2.00000
297 -5.1371 2.00000
298 -5.1160 2.00000
299 -5.0940 2.00000
300 -5.0865 2.00000
301 -5.0742 2.00000
302 -5.0689 2.00000
303 -5.0529 2.00000
304 -5.0441 2.00000
305 -5.0253 2.00000
306 -5.0145 2.00000
307 -4.9978 2.00000
308 -4.9911 2.00000
309 -4.9760 2.00000
310 -4.9554 2.00000
311 -4.9446 2.00000
312 -4.9257 2.00000
313 -4.9231 2.00000
314 -4.9134 2.00000
315 -4.8903 2.00000
316 -4.8828 2.00000
317 -4.8743 2.00000
318 -4.8612 2.00000
319 -4.8498 2.00000
320 -4.8350 2.00000
321 -4.8271 2.00000
322 -4.8150 2.00000
323 -4.8064 2.00000
324 -4.8040 2.00000
325 -4.7866 2.00000
326 -4.7731 2.00000
327 -4.7631 2.00000
328 -4.7454 2.00000
329 -4.7412 2.00000
330 -4.7278 2.00000
331 -4.7160 2.00000
332 -4.7140 2.00000
333 -4.7023 2.00000
334 -4.6845 2.00000
335 -4.6759 2.00000
336 -4.6663 2.00000
337 -4.6625 2.00000
338 -4.6356 2.00000
339 -4.6207 2.00000
340 -4.6160 2.00000
341 -4.6046 2.00000
342 -4.5904 2.00000
343 -4.5720 2.00000
344 -4.5546 2.00000
345 -4.5486 2.00000
346 -4.5367 2.00000
347 -4.5178 2.00000
348 -4.5054 2.00000
349 -4.4854 2.00000
350 -4.4762 2.00000
351 -4.4667 2.00000
352 -4.4554 2.00000
353 -4.4429 2.00000
354 -4.4377 2.00000
355 -4.4305 2.00000
356 -4.4140 2.00000
357 -4.4021 2.00000
358 -4.3873 2.00000
359 -4.3771 2.00000
360 -4.3679 2.00000
361 -4.3569 2.00000
362 -4.3409 2.00000
363 -4.3301 2.00000
364 -4.3163 2.00000
365 -4.3041 2.00000
366 -4.2785 2.00000
367 -4.2703 2.00000
368 -4.2570 2.00000
369 -4.2359 2.00000
370 -4.2291 2.00000
371 -4.2210 2.00000
372 -4.2062 2.00000
373 -4.1925 2.00000
374 -4.1753 2.00000
375 -4.1549 2.00000
376 -4.1448 2.00000
377 -4.1367 2.00000
378 -4.1258 2.00000
379 -4.1139 2.00000
380 -4.1066 2.00000
381 -4.1025 2.00000
382 -4.0685 2.00000
383 -4.0586 2.00000
384 -4.0495 2.00000
385 -4.0380 2.00000
386 -4.0249 2.00000
387 -4.0184 2.00000
388 -4.0055 2.00000
389 -3.9819 2.00000
390 -3.9792 2.00000
391 -3.9691 2.00000
392 -3.9522 2.00000
393 -3.9353 2.00000
394 -3.9195 2.00000
395 -3.8996 2.00000
396 -3.8943 2.00000
397 -3.8848 2.00000
398 -3.8683 2.00000
399 -3.8638 2.00000
400 -3.8476 2.00000
401 -3.8400 2.00000
402 -3.8290 2.00000
403 -3.8019 2.00000
404 -3.7959 2.00000
405 -3.7711 2.00000
406 -3.7703 2.00000
407 -3.7559 2.00000
408 -3.7365 2.00000
409 -3.7171 2.00000
410 -3.7058 2.00000
411 -3.7017 2.00000
412 -3.6938 2.00000
413 -3.6854 2.00000
414 -3.6751 2.00000
415 -3.6670 2.00000
416 -3.6468 2.00000
417 -3.6366 2.00000
418 -3.6344 2.00000
419 -3.6210 2.00000
420 -3.6059 2.00000
421 -3.5971 2.00000
422 -3.5880 2.00000
423 -3.5672 2.00000
424 -3.5492 2.00000
425 -3.5302 2.00000
426 -3.5162 2.00000
427 -3.5130 2.00000
428 -3.5048 2.00000
429 -3.4785 2.00000
430 -3.4641 2.00000
431 -3.4574 2.00000
432 -3.4432 2.00000
433 -3.4292 2.00000
434 -3.4237 2.00000
435 -3.4114 2.00000
436 -3.3991 2.00000
437 -3.3976 2.00000
438 -3.3658 2.00000
439 -3.3626 2.00000
440 -3.3533 2.00000
441 -3.3299 2.00000
442 -3.3188 2.00000
443 -3.3131 2.00000
444 -3.2839 2.00000
445 -3.2622 2.00000
446 -3.2621 2.00000
447 -3.2494 2.00000
448 -3.2277 2.00000
449 -3.2228 2.00000
450 -3.2175 2.00000
451 -3.2058 2.00000
452 -3.1866 2.00000
453 -3.1787 2.00000
454 -3.1754 2.00000
455 -3.1486 2.00000
456 -3.1459 2.00000
457 -3.1388 2.00000
458 -3.1216 2.00000
459 -3.1104 2.00000
460 -3.0962 2.00000
461 -3.0791 2.00000
462 -3.0710 2.00000
463 -3.0634 2.00000
464 -3.0615 2.00000
465 -3.0525 2.00000
466 -3.0389 2.00000
467 -3.0260 2.00000
468 -3.0215 2.00000
469 -3.0203 2.00000
470 -2.9964 2.00000
471 -2.9945 2.00000
472 -2.9805 2.00000
473 -2.9646 2.00000
474 -2.9516 2.00000
475 -2.9370 2.00000
476 -2.9153 2.00000
477 -2.9103 2.00000
478 -2.8915 2.00000
479 -2.8851 2.00000
480 -2.8794 2.00000
481 -2.8699 2.00000
482 -2.8564 2.00000
483 -2.8262 2.00000
484 -2.8230 2.00000
485 -2.8178 2.00000
486 -2.8006 2.00000
487 -2.7811 2.00000
488 -2.7617 2.00000
489 -2.7594 2.00000
490 -2.7547 2.00000
491 -2.7465 2.00000
492 -2.7288 2.00000
493 -2.7208 2.00000
494 -2.7064 2.00000
495 -2.7060 2.00000
496 -2.6922 2.00000
497 -2.6864 2.00000
498 -2.6694 2.00000
499 -2.6652 2.00000
500 -2.6499 2.00000
501 -2.6424 2.00000
502 -2.6189 2.00000
503 -2.6031 2.00000
504 -2.6004 2.00000
505 -2.5830 2.00000
506 -2.5710 2.00000
507 -2.5648 2.00000
508 -2.5402 2.00000
509 -2.5323 2.00000
510 -2.5275 2.00000
511 -2.5218 2.00000
512 -2.5041 2.00000
513 -2.4955 2.00000
514 -2.4828 2.00000
515 -2.4713 2.00000
516 -2.4565 2.00000
517 -2.4442 2.00000
518 -2.4229 2.00000
519 -2.4124 2.00000
520 -2.4072 2.00000
521 -2.3959 2.00000
522 -2.3877 2.00000
523 -2.3760 2.00000
524 -2.3678 2.00000
525 -2.3536 2.00000
526 -2.3445 2.00000
527 -2.3365 2.00000
528 -2.3289 2.00000
529 -2.3079 2.00000
530 -2.3012 2.00000
531 -2.2910 2.00000
532 -2.2779 2.00000
533 -2.2669 2.00000
534 -2.2473 2.00000
535 -2.2407 2.00000
536 -2.2235 2.00000
537 -2.2194 2.00000
538 -2.2107 2.00000
539 -2.1977 2.00000
540 -2.1938 2.00000
541 -2.1785 2.00000
542 -2.1659 2.00000
543 -2.1437 2.00000
544 -2.1358 2.00000
545 -2.1154 2.00000
546 -2.1100 2.00000
547 -2.0959 2.00000
548 -2.0844 2.00000
549 -2.0653 2.00000
550 -2.0502 2.00000
551 -2.0455 2.00000
552 -2.0293 2.00000
553 -2.0200 2.00000
554 -2.0032 2.00000
555 -1.9892 2.00000
556 -1.9650 2.00000
557 -1.9513 2.00000
558 -1.9352 2.00000
559 -1.9154 2.00000
560 -1.9069 2.00000
561 -1.8901 2.00000
562 -1.8692 2.00000
563 -1.8473 2.00000
564 -1.8346 2.00000
565 -1.8116 2.00000
566 -1.8046 2.00000
567 -1.7776 2.00000
568 -1.7713 2.00000
569 -1.7460 2.00000
570 -1.7290 2.00000
571 -1.6886 2.00000
572 -1.6832 2.00000
573 -1.6619 2.00000
574 -1.6491 2.00000
575 -1.6187 2.00000
576 -1.6100 2.00000
577 -1.5799 2.00000
578 -1.5628 2.00000
579 -1.5439 2.00000
580 -1.5344 2.00000
581 -1.5188 2.00000
582 -1.4809 2.00000
583 -1.4451 2.00000
584 -1.4224 2.00000
585 -1.4030 2.00000
586 -1.3727 2.00000
587 -1.3392 2.00000
588 -1.3233 2.00000
589 -1.3019 2.00000
590 -1.2596 2.00000
591 -1.2341 2.00000
592 -1.1934 2.00000
593 -1.1658 2.00000
594 -1.0927 2.00000
595 -1.0590 2.00000
596 -0.9711 2.00000
597 -0.8636 2.00000
598 -0.6281 2.00000
599 -0.1760 2.00000
600 0.2484 2.00066
601 0.6222 2.02128
602 0.6421 1.97807
603 1.7711 -0.00000
604 2.1164 -0.00000
605 2.4403 -0.00000
606 3.0960 -0.00000
607 3.1354 -0.00000
608 3.2780 -0.00000
609 3.4483 -0.00000
610 3.7457 -0.00000
611 3.8475 -0.00000
612 3.9152 -0.00000
613 3.9900 -0.00000
614 4.0095 -0.00000
615 4.0914 -0.00000
616 4.1446 -0.00000
617 4.1785 -0.00000
618 4.2759 -0.00000
619 4.2934 -0.00000
620 4.3249 -0.00000
621 4.3723 -0.00000
622 4.4168 -0.00000
623 4.4715 -0.00000
624 4.4763 -0.00000
625 4.5117 -0.00000
626 4.5242 -0.00000
627 4.5842 -0.00000
628 4.6252 -0.00000
629 4.6413 -0.00000
630 4.6556 -0.00000
631 4.6729 -0.00000
632 4.7013 -0.00000
633 4.7299 -0.00000
634 4.7414 -0.00000
635 4.7704 -0.00000
636 4.7967 -0.00000
637 4.8056 -0.00000
638 4.8366 -0.00000
639 4.8606 -0.00000
640 4.8776 -0.00000
641 4.9115 -0.00000
642 4.9277 -0.00000
643 4.9670 -0.00000
644 4.9903 -0.00000
645 5.0250 -0.00000
646 5.0336 -0.00000
647 5.0533 -0.00000
648 5.0627 -0.00000
649 5.1068 -0.00000
650 5.1316 -0.00000
651 5.1404 -0.00000
652 5.1539 -0.00000
653 5.1591 -0.00000
654 5.2040 -0.00000
655 5.2125 -0.00000
656 5.2306 -0.00000
657 5.2409 -0.00000
658 5.2779 -0.00000
659 5.2966 -0.00000
660 5.3140 -0.00000
661 5.3272 -0.00000
662 5.3355 -0.00000
663 5.3635 -0.00000
664 5.3890 -0.00000
665 5.4115 -0.00000
666 5.4250 -0.00000
667 5.4362 -0.00000
668 5.4472 -0.00000
669 5.4482 -0.00000
670 5.4768 -0.00000
671 5.5137 -0.00000
672 5.5193 -0.00000
673 5.5292 -0.00000
674 5.5582 -0.00000
675 5.5641 -0.00000
676 5.5930 -0.00000
677 5.6073 -0.00000
678 5.6344 -0.00000
679 5.6374 -0.00000
680 5.6589 -0.00000
681 5.6707 -0.00000
682 5.6792 -0.00000
683 5.7106 -0.00000
684 5.7132 -0.00000
685 5.7272 -0.00000
686 5.7432 -0.00000
687 5.7590 -0.00000
688 5.7691 -0.00000
689 5.8023 -0.00000
690 5.8072 -0.00000
691 5.8315 -0.00000
692 5.8416 -0.00000
693 5.8538 -0.00000
694 5.8728 -0.00000
695 5.8802 -0.00000
696 5.9030 -0.00000
697 5.9136 -0.00000
698 5.9373 -0.00000
699 5.9527 -0.00000
700 5.9551 -0.00000
701 5.9604 -0.00000
702 6.0023 -0.00000
703 6.0148 -0.00000
704 6.0302 -0.00000
705 6.0489 -0.00000
706 6.0555 -0.00000
707 6.0633 -0.00000
708 6.0876 -0.00000
709 6.0944 -0.00000
710 6.1018 -0.00000
711 6.1243 -0.00000
712 6.1376 0.00000
713 6.1510 0.00000
714 6.1705 0.00000
715 6.1770 0.00000
716 6.1971 0.00000
717 6.2004 0.00000
718 6.2164 0.00000
719 6.2302 0.00000
720 6.2628 0.00000
721 6.2643 0.00000
722 6.2810 0.00000
723 6.3017 0.00000
724 6.3033 0.00000
725 6.3218 0.00000
726 6.3464 0.00000
727 6.3589 0.00000
728 6.3677 0.00000
729 6.3787 0.00000
730 6.3870 0.00000
731 6.4130 0.00000
732 6.4270 0.00000
733 6.4435 0.00000
734 6.4535 0.00000
735 6.4635 0.00000
736 6.4814 0.00000
737 6.4929 0.00000
738 6.5014 0.00000
739 6.5170 0.00000
740 6.5395 0.00000
741 6.5467 0.00000
742 6.5606 0.00000
743 6.5797 0.00000
744 6.5938 0.00000
745 6.6158 0.00000
746 6.6210 0.00000
747 6.6269 0.00000
748 6.6358 0.00000
749 6.6534 0.00000
750 6.6776 0.00000
751 6.6785 0.00000
752 6.6979 0.00000
753 6.7072 0.00000
754 6.7291 0.00000
755 6.7408 0.00000
756 6.7513 0.00000
757 6.7712 0.00000
758 6.7824 0.00000
759 6.7995 0.00000
760 6.8111 0.00000
761 6.8157 0.00000
762 6.8407 0.00000
763 6.8508 0.00000
764 6.8619 0.00000
765 6.8722 0.00000
766 6.8782 0.00000
767 6.9001 0.00000
768 6.9076 0.00000
769 6.9374 0.00000
770 6.9484 0.00000
771 6.9628 0.00000
772 6.9726 0.00000
773 6.9782 0.00000
774 6.9948 0.00000
775 7.0162 0.00000
776 7.0227 0.00000
777 7.0393 0.00000
778 7.0492 0.00000
779 7.0665 0.00000
780 7.0888 0.00000
781 7.0908 0.00000
782 7.1117 0.00000
783 7.1168 0.00000
784 7.1411 0.00000
785 7.1438 0.00000
786 7.1515 0.00000
787 7.1607 0.00000
788 7.1908 0.00000
789 7.1965 0.00000
790 7.1998 0.00000
791 7.2092 0.00000
792 7.2361 0.00000
793 7.2451 0.00000
794 7.2468 0.00000
795 7.2672 0.00000
796 7.2880 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.478 -3.323 0.121 -0.985 -1.048 -0.049 0.386 0.451
-3.323 1.621 -0.109 0.559 0.849 0.039 -0.208 -0.329
0.121 -0.109 3.290 0.097 -0.266 -0.839 -0.019 0.059
-0.985 0.559 0.097 3.620 0.603 -0.019 -0.935 -0.296
-1.048 0.849 -0.266 0.603 4.397 0.059 -0.291 -1.325
-0.049 0.039 -0.839 -0.019 0.059 0.223 0.003 -0.012
0.386 -0.208 -0.019 -0.935 -0.291 0.003 0.257 0.123
0.451 -0.329 0.059 -0.296 -1.325 -0.012 0.123 0.418
------------------------ aborting loop because EDIFF is reached ----------------------------------------
FORCE on cell =-STRESS in cart. coord. units (eV):
Direction XX YY ZZ XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 1009.63688 1009.63688 1009.63688
Ewald -5223.77278 -8296.65219 -4995.14150 649.06248 -1720.05395 953.26333
Hartree 12985.54703 10485.11738 12477.77524 416.15896 -1722.72305 481.30316
E(xc) -4966.60065 -4968.24189 -4965.31676 1.45672 0.59931 1.28955
Local -22714.95791-17186.34233-22357.15011 -1031.49210 3495.32369 -1362.28317
n-local -578.19923 -581.38315 -542.70491 -12.36780 -3.82961 5.41210
augment 254.66545 256.65000 245.93106 0.64764 -2.24064 -4.70271
Kinetic 19036.11726 19118.96580 18897.77943 -20.02954 -37.04887 -94.30106
Fock 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
-------------------------------------------------------------------------------------
Total -197.5639508 -162.2495087 -229.1906678 3.4363698 10.0268915 -20.0187917
in kB -62.7521523 -51.5352413 -72.7977328 1.0914927 3.1848372 -6.3585602
external PRESSURE = -62.3617088 kB Pullay stress = 0.0000000 kB
VOLUME and BASIS-vectors are now :
-----------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 5044.17
direct lattice vectors reciprocal lattice vectors
17.150000000 0.000000000 -0.042875000 0.058309402 0.000000000 0.000145774
0.000000000 17.150000000 0.000000000 0.000000000 0.058309038 0.000000000
-0.042875000 0.000000000 17.150000000 0.000145774 0.000000000 0.058309402
length of vectors
17.150053594 17.150000000 17.150053594 0.058309585 0.058309038 0.058309585
FORCES acting on ions
electron-ion (+dipol) ewald-force non-local-force convergence-correction
-----------------------------------------------------------------------------------------------
-.128E+03 -.239E+02 -.337E+02 0.133E+03 0.230E+02 0.286E+02 -.452E+01 0.915E+00 0.505E+01 0.134E-02 -.701E-03 0.983E-03
0.742E+02 0.478E+01 0.113E+02 -.753E+02 -.582E+00 -.104E+02 0.114E+01 -.420E+01 -.905E+00 -.240E-02 -.489E-03 -.136E-02
-.458E+02 0.481E+02 -.163E+02 0.488E+02 -.493E+02 0.214E+02 -.295E+01 0.129E+01 -.507E+01 0.326E-03 -.711E-04 0.144E-03
0.635E+02 -.203E+02 0.541E+02 -.601E+02 0.245E+02 -.492E+02 -.340E+01 -.420E+01 -.493E+01 -.120E-02 -.112E-02 -.994E-03
-.411E+02 -.172E+02 0.250E+02 0.415E+02 0.170E+02 -.267E+02 -.474E+00 0.172E+00 0.171E+01 0.151E-02 -.725E-03 -.991E-03
0.725E+02 -.305E+01 -.105E+03 -.755E+02 0.471E+01 0.110E+03 0.292E+01 -.166E+01 -.537E+01 0.443E-03 -.294E-03 -.107E-03
0.388E+02 -.613E+02 -.819E+02 -.365E+02 0.605E+02 0.794E+02 -.231E+01 0.820E+00 0.258E+01 0.499E-04 0.398E-03 -.445E-04
0.180E+01 -.753E+02 -.130E+01 0.274E+01 0.750E+02 -.916E+00 -.456E+01 0.281E+00 0.221E+01 0.121E-02 0.547E-03 0.621E-03
-.957E+02 -.177E+02 0.209E+02 0.102E+03 0.229E+02 -.221E+02 -.602E+01 -.525E+01 0.125E+01 -.321E-03 -.235E-03 0.423E-03
0.153E+02 -.344E+02 -.455E+02 -.168E+02 0.308E+02 0.478E+02 0.152E+01 0.353E+01 -.227E+01 -.268E-03 0.345E-03 -.255E-03
-.459E+02 0.125E+02 0.607E+02 0.474E+02 -.136E+02 -.626E+02 -.148E+01 0.109E+01 0.191E+01 -.197E-03 0.889E-03 0.131E-02
0.858E+02 -.846E+02 -.151E+02 -.883E+02 0.904E+02 0.156E+02 0.243E+01 -.576E+01 -.438E+00 0.170E-02 0.673E-03 0.357E-03
-.554E+02 -.962E+02 -.125E+02 0.561E+02 0.988E+02 0.117E+02 -.737E+00 -.266E+01 0.870E+00 -.871E-04 0.432E-03 0.175E-03
0.279E+02 0.107E+01 -.555E+02 -.324E+02 -.141E+01 0.605E+02 0.452E+01 0.344E+00 -.500E+01 0.466E-03 -.358E-04 -.541E-03
0.567E+02 -.314E+02 0.657E+02 -.579E+02 0.338E+02 -.621E+02 0.120E+01 -.239E+01 -.367E+01 0.747E-03 -.111E-02 -.480E-03
-.656E+02 0.353E+02 0.188E+02 0.708E+02 -.411E+02 -.180E+02 -.520E+01 0.579E+01 -.848E+00 0.212E-02 0.144E-02 0.118E-02
-.614E+01 0.110E+03 0.149E+02 0.441E+01 -.120E+03 -.168E+02 0.177E+01 0.969E+01 0.187E+01 -.241E-02 0.373E-03 -.538E-03
-.447E+01 -.468E+02 -.331E+01 -.559E+01 0.474E+02 0.416E+01 0.101E+02 -.573E+00 -.877E+00 0.164E-02 0.211E-03 0.105E-02
0.309E+02 0.192E+02 0.108E+03 -.297E+02 -.191E+02 -.103E+03 -.117E+01 -.871E-01 -.415E+01 0.136E-02 -.117E-03 -.166E-02
-.185E+02 0.782E+02 0.288E+02 0.168E+02 -.709E+02 -.327E+02 0.171E+01 -.738E+01 0.392E+01 0.183E-02 0.128E-03 -.902E-03
0.104E+03 -.411E+02 0.377E+02 -.102E+03 0.396E+02 -.383E+02 -.134E+01 0.149E+01 0.640E+00 0.127E-03 0.600E-03 -.464E-03
-.494E+02 0.400E+02 -.792E+02 0.541E+02 -.428E+02 0.793E+02 -.471E+01 0.273E+01 -.920E-01 -.268E-03 -.398E-03 -.610E-04
0.699E+02 0.943E+02 -.872E+02 -.735E+02 -.958E+02 0.871E+02 0.354E+01 0.149E+01 0.177E+00 0.957E-03 0.320E-03 -.511E-03
0.544E+02 0.804E+01 -.186E+03 -.537E+02 -.694E+01 0.189E+03 -.744E+00 -.112E+01 -.289E+01 0.544E-03 0.428E-03 0.179E-03
-.839E+02 -.899E+01 -.898E+01 0.862E+02 0.109E+02 0.117E+02 -.222E+01 -.190E+01 -.270E+01 -.135E-02 0.125E-02 0.163E-02
0.232E+02 0.251E+02 0.718E+02 -.242E+02 -.178E+02 -.664E+02 0.998E+00 -.729E+01 -.542E+01 -.147E-02 0.324E-03 -.143E-02
-.933E+02 0.584E+01 0.704E+02 0.985E+02 -.356E+01 -.753E+02 -.516E+01 -.228E+01 0.492E+01 -.310E-03 0.412E-03 0.227E-03
-.887E+01 0.157E+02 0.878E+01 0.897E+01 -.137E+02 -.628E+01 -.142E+00 -.200E+01 -.250E+01 0.514E-03 0.918E-04 0.479E-03
0.248E+02 -.477E+02 -.900E+02 -.319E+02 0.516E+02 0.889E+02 0.711E+01 -.382E+01 0.111E+01 -.885E-03 0.410E-03 -.647E-03
0.158E+02 -.737E+02 -.660E+02 -.178E+02 0.748E+02 0.685E+02 0.193E+01 -.118E+01 -.249E+01 -.322E-03 0.272E-03 0.107E-02
-.496E+02 -.612E+02 0.347E+02 0.481E+02 0.731E+02 -.251E+02 0.150E+01 -.119E+02 -.953E+01 0.491E-04 -.690E-03 0.637E-03
0.844E+02 0.452E+02 0.723E+02 -.797E+02 -.454E+02 -.747E+02 -.470E+01 0.240E+00 0.240E+01 0.336E-03 0.376E-04 -.269E-03
-.526E+02 0.196E+01 0.285E+02 0.565E+02 -.506E+01 -.262E+02 -.388E+01 0.310E+01 -.233E+01 -.109E-02 -.133E-04 0.463E-03
0.155E+02 -.438E+02 -.213E+02 -.177E+02 0.493E+02 0.168E+02 0.220E+01 -.550E+01 0.455E+01 -.157E-02 -.749E-03 -.121E-02
-.284E+02 -.101E+03 -.666E+02 0.265E+02 0.987E+02 0.651E+02 0.187E+01 0.189E+01 0.146E+01 0.141E-02 -.408E-03 -.104E-02
0.401E+02 -.102E+03 -.455E+02 -.403E+02 0.109E+03 0.502E+02 0.210E+00 -.657E+01 -.468E+01 0.798E-03 -.569E-04 -.647E-03
0.108E+03 0.832E+02 0.811E+02 -.105E+03 -.887E+02 -.833E+02 -.313E+01 0.554E+01 0.228E+01 -.542E-03 -.286E-03 0.576E-03
0.244E+02 0.109E+03 0.212E+02 -.243E+02 -.110E+03 -.203E+02 -.162E+00 0.461E+00 -.945E+00 -.214E-03 0.910E-03 0.922E-03
-.501E+01 -.848E+02 -.718E+02 0.764E+01 0.850E+02 0.695E+02 -.265E+01 -.240E+00 0.231E+01 0.106E-02 -.856E-03 0.112E-03
0.934E+01 0.106E+03 0.561E+02 -.105E+02 -.109E+03 -.594E+02 0.122E+01 0.263E+01 0.326E+01 -.249E-02 -.139E-02 0.124E-02
0.193E+02 0.847E+01 0.132E+03 -.182E+02 -.865E+01 -.136E+03 -.101E+01 0.177E+00 0.383E+01 -.909E-02 0.291E-03 -.150E-02
-.155E+02 0.226E+02 0.425E+02 0.160E+02 -.218E+02 -.410E+02 -.522E+00 -.829E+00 -.153E+01 0.151E-02 0.140E-03 0.691E-03
0.204E+02 0.132E+03 0.337E+02 -.223E+02 -.133E+03 -.266E+02 0.183E+01 0.698E+00 -.706E+01 -.236E-04 -.778E-03 -.363E-03
0.867E+02 -.228E+02 -.103E+03 -.916E+02 0.186E+02 0.106E+03 0.497E+01 0.419E+01 -.270E+01 -.568E-03 -.513E-03 -.952E-03
0.848E+01 0.117E+02 -.155E+02 -.958E+01 -.128E+02 0.159E+02 0.113E+01 0.109E+01 -.361E+00 -.150E-02 -.165E-04 0.101E-02
-.197E+02 -.329E+02 0.109E+02 0.268E+02 0.353E+02 -.128E+02 -.716E+01 -.240E+01 0.182E+01 0.138E-03 0.452E-03 0.925E-03
-.546E+01 -.273E+02 -.867E+01 0.787E+01 0.235E+02 0.365E+01 -.242E+01 0.389E+01 0.504E+01 -.767E-03 -.662E-03 -.221E-02
0.512E+02 -.197E+02 0.607E+02 -.562E+02 0.166E+02 -.592E+02 0.504E+01 0.304E+01 -.153E+01 -.333E-03 -.673E-03 -.414E-04
-.529E+02 -.627E+02 -.171E+02 0.483E+02 0.651E+02 0.218E+02 0.458E+01 -.234E+01 -.473E+01 0.326E-03 0.911E-03 0.140E-03
0.270E+02 0.347E+02 0.452E+02 -.300E+02 -.353E+02 -.419E+02 0.305E+01 0.588E+00 -.333E+01 0.221E-03 -.608E-03 0.404E-03
0.832E+01 0.152E+02 0.605E+02 -.512E+01 -.151E+02 -.597E+02 -.322E+01 -.109E+00 -.805E+00 0.807E-03 0.728E-04 0.763E-03
-.190E+02 -.322E+02 -.220E+02 0.166E+02 0.276E+02 0.274E+02 0.244E+01 0.461E+01 -.541E+01 -.701E-03 -.705E-03 -.673E-03
-.740E+01 -.887E+02 -.318E+02 0.244E+01 0.859E+02 0.373E+02 0.498E+01 0.276E+01 -.545E+01 -.140E-02 -.534E-03 -.577E-04
-.298E+02 -.535E+02 -.800E+02 0.278E+02 0.471E+02 0.860E+02 0.205E+01 0.631E+01 -.592E+01 0.926E-03 -.771E-04 -.624E-03
-.940E+01 -.918E+01 -.136E+02 0.952E+01 0.481E+01 0.140E+02 -.133E+00 0.435E+01 -.347E+00 0.850E-03 0.600E-03 0.694E-03
-.661E+01 -.413E+02 0.774E+02 0.602E+01 0.457E+02 -.790E+02 0.583E+00 -.444E+01 0.152E+01 0.468E-03 0.104E-03 0.491E-03
-.494E+02 -.389E+02 -.617E+02 0.558E+02 0.431E+02 0.617E+02 -.639E+01 -.423E+01 -.155E-01 -.118E-02 -.826E-03 0.592E-03
-.193E+02 0.761E+02 -.586E+02 0.174E+02 -.826E+02 0.606E+02 0.193E+01 0.645E+01 -.193E+01 0.936E-03 0.739E-03 -.295E-03
-.846E+02 0.324E+02 0.962E+02 0.870E+02 -.308E+02 -.977E+02 -.244E+01 -.154E+01 0.147E+01 -.111E-02 0.455E-03 0.385E-03
-.190E+02 0.699E+02 0.490E+02 0.133E+02 -.672E+02 -.501E+02 0.569E+01 -.268E+01 0.115E+01 -.559E-03 0.231E-03 0.265E-04
-.514E+02 0.131E+03 0.211E+02 0.537E+02 -.135E+03 -.229E+02 -.235E+01 0.358E+01 0.181E+01 0.473E-03 -.669E-04 0.205E-03
-.662E+01 0.364E+02 -.100E+03 0.122E+01 -.370E+02 0.104E+03 0.538E+01 0.588E+00 -.336E+01 0.120E-02 -.353E-03 -.160E-02
-.127E+02 0.405E+02 0.113E+02 0.128E+02 -.359E+02 -.186E+02 -.978E-01 -.456E+01 0.733E+01 0.886E-03 0.558E-04 0.848E-03
0.121E+02 0.278E+02 -.161E+02 -.235E+01 -.281E+02 0.169E+02 -.973E+01 0.284E+00 -.819E+00 0.506E-03 0.392E-04 -.164E-02
0.513E+02 0.217E+02 0.161E+02 -.519E+02 -.222E+02 -.166E+02 0.592E+00 0.536E+00 0.462E+00 0.958E-03 -.728E-03 -.197E-03
0.160E+01 0.540E+02 0.870E+02 0.102E+01 -.563E+02 -.820E+02 -.265E+01 0.231E+01 -.504E+01 0.213E-02 -.148E-03 0.128E-02
-.752E+02 -.903E+00 -.781E+01 0.751E+02 0.110E+01 0.153E+01 0.149E+00 -.205E+00 0.628E+01 -.229E-02 0.757E-03 -.232E-03
0.131E+02 -.512E+02 0.179E+02 -.194E+02 0.530E+02 -.113E+02 0.635E+01 -.176E+01 -.663E+01 -.737E-03 0.328E-04 0.236E-03
-.454E+02 0.238E+02 -.445E+02 0.460E+02 -.278E+02 0.460E+02 -.653E+00 0.397E+01 -.155E+01 0.118E-02 0.201E-03 -.867E-04
-.517E+02 -.358E+02 0.689E+01 0.493E+02 0.325E+02 -.999E+01 0.240E+01 0.333E+01 0.311E+01 0.155E-02 -.952E-03 0.903E-03
-.732E+02 -.263E+02 -.835E+01 0.708E+02 0.234E+02 0.953E+01 0.235E+01 0.298E+01 -.118E+01 0.943E-03 -.357E-03 0.844E-03
0.576E+02 -.116E+02 0.526E+02 -.536E+02 0.122E+02 -.517E+02 -.406E+01 -.609E+00 -.878E+00 0.576E-04 -.773E-03 -.128E-02
0.162E+02 -.142E+01 0.238E+02 -.176E+02 -.345E+01 -.240E+02 0.139E+01 0.487E+01 0.207E+00 -.150E-04 -.947E-03 -.703E-03
0.213E+02 -.856E+02 -.259E+02 -.195E+02 0.821E+02 0.290E+02 -.182E+01 0.355E+01 -.308E+01 0.774E-04 -.138E-03 0.306E-03
-.298E+02 -.164E+00 0.152E+02 0.337E+02 0.777E+00 -.162E+02 -.388E+01 -.615E+00 0.997E+00 -.613E-03 -.289E-03 -.234E-03
0.792E+01 0.815E+01 0.279E+02 -.785E+01 -.463E+01 -.247E+02 -.638E-01 -.352E+01 -.322E+01 0.468E-03 0.500E-03 0.736E-03
-.193E+02 -.103E+03 -.429E+02 0.213E+02 0.985E+02 0.413E+02 -.205E+01 0.409E+01 0.161E+01 -.139E-03 0.725E-03 0.321E-03
0.296E+02 -.155E+03 -.125E+03 -.303E+02 0.159E+03 0.130E+03 0.643E+00 -.495E+01 -.484E+01 0.542E-03 0.327E-04 -.540E-03
0.905E+02 0.218E+02 0.769E+02 -.872E+02 -.228E+02 -.746E+02 -.331E+01 0.102E+01 -.230E+01 0.482E-03 -.233E-03 -.862E-03
0.572E+02 0.126E+02 0.567E+02 -.576E+02 -.753E+01 -.537E+02 0.369E+00 -.506E+01 -.300E+01 -.493E-03 -.485E-03 0.354E-03
-.912E+02 -.338E+01 0.506E+02 0.878E+02 0.110E+01 -.496E+02 0.336E+01 0.227E+01 -.935E+00 -.651E-03 0.136E-03 0.630E-03
-.368E+02 0.276E+02 0.952E+01 0.349E+02 -.306E+02 -.135E+02 0.196E+01 0.302E+01 0.400E+01 0.147E-02 0.778E-03 0.768E-03
0.466E+02 0.207E+02 -.568E+02 -.483E+02 -.239E+02 0.531E+02 0.175E+01 0.327E+01 0.364E+01 0.877E-03 0.140E-04 -.362E-04
0.105E+01 0.864E+02 -.572E+02 -.345E+00 -.820E+02 0.587E+02 -.711E+00 -.440E+01 -.148E+01 0.485E-05 0.316E-03 -.475E-03
0.138E+02 -.263E+02 0.262E+02 -.154E+02 0.296E+02 -.315E+02 0.155E+01 -.331E+01 0.533E+01 0.822E-03 0.899E-03 0.658E-03
-.763E+02 -.106E+01 0.322E+02 0.717E+02 0.969E+00 -.301E+02 0.457E+01 0.906E-01 -.212E+01 -.178E-03 0.550E-03 0.744E-03
-.326E+02 -.111E+03 0.189E+02 0.309E+02 0.107E+03 -.179E+02 0.175E+01 0.438E+01 -.101E+01 -.150E-02 -.334E-03 0.696E-03
0.507E+02 -.328E+02 -.115E+03 -.511E+02 0.315E+02 0.113E+03 0.328E+00 0.134E+01 0.176E+01 0.120E-03 0.172E-03 -.261E-03
0.134E+02 -.904E+00 0.183E+02 -.151E+02 0.297E+01 -.215E+02 0.172E+01 -.206E+01 0.324E+01 -.245E-03 -.109E-02 -.457E-03
0.353E+02 -.854E+02 -.347E+02 -.330E+02 0.817E+02 0.301E+02 -.232E+01 0.361E+01 0.459E+01 0.340E-03 0.424E-03 -.183E-03
0.458E+02 0.261E+02 0.170E+01 -.498E+02 -.242E+02 -.149E+00 0.404E+01 -.192E+01 -.155E+01 0.168E-03 -.487E-03 0.115E-04
0.558E+02 0.110E+03 0.487E+01 -.508E+02 -.109E+03 -.334E+01 -.497E+01 -.518E+00 -.152E+01 -.482E-03 -.334E-03 -.525E-03
0.744E+02 -.614E+02 -.109E+03 -.781E+02 0.659E+02 0.117E+03 0.371E+01 -.453E+01 -.729E+01 -.513E-03 -.562E-03 -.521E-03
-.482E+01 0.202E+02 0.605E+02 0.446E+01 -.166E+02 -.575E+02 0.374E+00 -.362E+01 -.300E+01 0.227E-03 -.634E-03 0.391E-03
-.349E+02 -.261E+01 0.920E+01 0.329E+02 0.460E+01 -.529E+01 0.207E+01 -.198E+01 -.393E+01 0.418E-03 -.133E-03 0.949E-03
0.634E+01 -.574E+02 0.207E+02 -.758E+01 0.538E+02 -.232E+02 0.126E+01 0.354E+01 0.249E+01 0.644E-05 -.545E-03 0.412E-03
-.279E+02 -.963E+01 -.685E+01 0.262E+02 0.619E+01 0.113E+02 0.171E+01 0.343E+01 -.443E+01 0.168E-04 0.506E-03 0.152E-02
0.102E+02 -.376E+02 0.274E+02 -.522E+01 0.386E+02 -.283E+02 -.500E+01 -.995E+00 0.950E+00 0.142E-03 -.319E-04 -.184E-03
-.449E+02 -.141E+02 0.353E+02 0.471E+02 0.180E+02 -.392E+02 -.227E+01 -.391E+01 0.390E+01 0.972E-04 0.191E-04 -.572E-04
-.182E+02 -.324E+02 -.842E+01 0.203E+02 0.341E+02 0.114E+02 -.213E+01 -.168E+01 -.298E+01 -.880E-03 -.553E-03 -.136E-02
-.120E+03 0.149E+02 -.132E+03 0.123E+03 -.184E+02 0.137E+03 -.272E+01 0.343E+01 -.495E+01 -.320E-03 -.411E-03 0.571E-03
-.411E+02 0.831E+02 0.693E+02 0.435E+02 -.817E+02 -.661E+02 -.235E+01 -.143E+01 -.313E+01 -.356E-03 0.636E-03 0.183E-03
-.129E+00 0.242E+02 -.602E+02 0.421E+01 -.242E+02 0.620E+02 -.408E+01 -.366E-01 -.182E+01 -.487E-03 -.126E-02 -.730E-03
0.923E+00 -.322E+02 0.738E+02 -.161E+01 0.298E+02 -.732E+02 0.690E+00 0.240E+01 -.601E+00 0.127E-02 0.822E-05 0.110E-02
0.195E+02 0.159E+02 -.440E+02 -.228E+02 -.147E+02 0.398E+02 0.330E+01 -.117E+01 0.421E+01 0.717E-03 -.314E-03 -.109E-02
-.784E+02 0.289E+02 0.575E+00 0.741E+02 -.277E+02 -.609E+00 0.424E+01 -.125E+01 0.292E-01 -.155E-03 0.102E-02 -.190E-03
0.109E+01 -.190E+02 0.174E+02 -.287E+01 0.191E+02 -.190E+02 0.178E+01 -.146E+00 0.156E+01 -.130E-03 -.104E-03 0.136E-03
0.684E+02 -.104E+02 -.119E+03 -.665E+02 0.977E+01 0.117E+03 -.192E+01 0.622E+00 0.207E+01 0.585E-03 -.101E-03 -.769E-04
0.787E+02 0.207E+02 -.506E+02 -.761E+02 -.193E+02 0.488E+02 -.261E+01 -.143E+01 0.189E+01 0.118E-02 0.456E-04 -.985E-03
0.906E+02 0.152E+02 -.190E+02 -.878E+02 -.140E+02 0.169E+02 -.277E+01 -.122E+01 0.211E+01 0.139E-02 -.639E-03 -.159E-03
0.188E+02 -.757E+01 0.890E+02 -.191E+02 0.665E+01 -.866E+02 0.262E+00 0.904E+00 -.239E+01 0.123E-02 0.374E-03 -.558E-03
0.193E+02 -.334E+02 0.324E+00 -.195E+02 0.317E+02 -.943E+00 0.221E+00 0.171E+01 0.622E+00 -.763E-03 0.731E-03 -.367E-03
-.313E+01 0.373E+02 0.171E+02 0.123E+01 -.338E+02 -.156E+02 0.188E+01 -.351E+01 -.151E+01 0.578E-03 -.472E-03 0.434E-03
0.436E+02 -.165E+02 0.664E+02 -.432E+02 0.154E+02 -.692E+02 -.361E+00 0.106E+01 0.282E+01 -.357E-02 0.146E-03 -.420E-03
0.230E+02 0.704E+01 0.460E+02 -.216E+02 -.455E+01 -.471E+02 -.134E+01 -.250E+01 0.113E+01 0.415E-03 -.374E-04 -.256E-03
0.216E+02 -.293E+02 -.170E+02 -.217E+02 0.304E+02 0.162E+02 0.119E+00 -.114E+01 0.782E+00 0.278E-03 0.111E-02 -.658E-03
-.543E+02 -.569E+01 -.625E+02 0.534E+02 0.618E+01 0.595E+02 0.920E+00 -.478E+00 0.303E+01 0.350E-03 -.400E-03 -.325E-03
-.493E+02 -.316E+02 -.476E+02 0.487E+02 0.334E+02 0.452E+02 0.673E+00 -.176E+01 0.244E+01 -.829E-03 -.704E-03 0.470E-03
-.206E+02 -.277E+02 0.808E+02 0.197E+02 0.261E+02 -.785E+02 0.985E+00 0.150E+01 -.220E+01 -.620E-03 0.176E-03 0.443E-03
0.610E+02 0.387E+02 -.204E+02 -.591E+02 -.376E+02 0.207E+02 -.180E+01 -.106E+01 -.260E+00 -.504E-04 0.557E-03 -.108E-02
0.494E+02 -.349E+01 0.546E+02 -.475E+02 0.325E+01 -.531E+02 -.187E+01 0.269E+00 -.145E+01 -.124E-03 -.363E-03 0.219E-03
-.109E+02 0.155E+02 -.213E+01 0.948E+01 -.152E+02 0.374E+01 0.144E+01 -.241E+00 -.161E+01 -.248E-03 -.544E-03 0.130E-03
0.212E+01 -.294E+02 -.310E+02 -.273E+01 0.293E+02 0.284E+02 0.608E+00 0.159E+00 0.257E+01 -.239E-03 0.270E-03 0.731E-03
0.138E+02 0.114E+03 0.537E+01 -.139E+02 -.113E+03 -.600E+01 0.106E+00 -.194E+01 0.619E+00 -.117E-02 0.118E-02 -.303E-04
-.116E+02 -.858E+02 -.603E+02 0.109E+02 0.836E+02 0.585E+02 0.598E+00 0.223E+01 0.185E+01 0.475E-03 -.488E-03 -.303E-03
-.498E+02 -.148E+02 -.430E+02 0.474E+02 0.132E+02 0.414E+02 0.248E+01 0.161E+01 0.165E+01 0.996E-03 -.521E-04 0.599E-04
0.380E+02 -.360E+02 0.484E+01 -.358E+02 0.352E+02 -.486E+01 -.225E+01 0.824E+00 0.287E-01 0.749E-03 -.158E-03 -.130E-03
0.602E+02 0.240E+02 0.114E+03 -.650E+02 -.246E+02 -.120E+03 0.486E+01 0.555E+00 0.568E+01 -.225E-02 0.292E-03 -.184E-02
0.110E+03 0.314E+01 0.214E+03 -.119E+03 -.796E+01 -.230E+03 0.854E+01 0.482E+01 0.156E+02 -.268E-02 -.157E-02 -.198E-02
0.169E+03 0.131E+03 0.228E+03 -.183E+03 -.144E+03 -.246E+03 0.141E+02 0.131E+02 0.183E+02 -.298E-02 -.848E-03 -.464E-03
0.309E+02 -.576E+02 0.905E+02 -.288E+02 0.625E+02 -.997E+02 -.215E+01 -.489E+01 0.922E+01 0.148E-02 -.551E-03 -.112E-02
-.493E+02 -.297E+02 -.882E+02 0.560E+02 0.333E+02 0.947E+02 -.675E+01 -.363E+01 -.655E+01 0.589E-03 -.100E-02 -.812E-03
0.322E+02 -.882E+00 -.208E+02 -.295E+02 -.568E+01 0.629E+01 -.264E+01 0.657E+01 0.145E+02 0.669E-03 0.840E-04 0.125E-03
0.575E+02 -.152E+02 -.936E+02 -.627E+02 0.980E+01 0.998E+02 0.524E+01 0.543E+01 -.620E+01 0.118E-02 -.277E-03 -.102E-02
0.496E+01 -.626E+02 -.630E+02 0.259E+01 0.606E+02 0.665E+02 -.754E+01 0.200E+01 -.357E+01 0.134E-02 0.825E-03 0.115E-02
0.566E+02 -.134E+03 -.127E+03 -.575E+02 0.140E+03 0.138E+03 0.890E+00 -.594E+01 -.108E+02 0.266E-03 0.532E-03 -.268E-03
-.720E+02 -.151E+03 -.738E+00 0.609E+02 0.171E+03 -.731E+00 0.111E+02 -.198E+02 0.147E+01 0.452E-03 -.803E-03 -.660E-03
-.833E+02 0.492E+02 0.345E+02 0.754E+02 -.433E+02 -.425E+02 0.796E+01 -.588E+01 0.804E+01 -.813E-03 0.409E-03 0.618E-03
0.527E+02 -.727E+02 -.204E+02 -.511E+02 0.712E+02 0.194E+02 -.161E+01 0.158E+01 0.102E+01 0.746E-03 0.728E-03 0.109E-03
0.978E+02 -.101E+03 -.553E+02 -.950E+02 0.102E+03 0.577E+02 -.283E+01 -.138E+01 -.237E+01 0.138E-02 0.256E-03 -.107E-02
-.366E+02 0.618E+02 0.393E+02 0.470E+02 -.842E+02 -.379E+02 -.104E+02 0.224E+02 -.140E+01 0.541E-03 -.123E-02 0.620E-03
-.560E+02 -.156E+03 -.605E+02 0.688E+02 0.161E+03 0.638E+02 -.128E+02 -.451E+01 -.335E+01 0.408E-04 0.642E-03 0.311E-03
0.128E+03 -.257E+02 0.139E+03 -.134E+03 0.246E+02 -.157E+03 0.615E+01 0.115E+01 0.185E+02 0.684E-03 -.221E-03 -.908E-03
0.132E+03 -.124E+03 -.281E+02 -.153E+03 0.114E+03 0.859E+01 0.212E+02 0.103E+02 0.195E+02 0.471E-03 0.141E-02 0.857E-03
-.765E+01 0.164E+03 0.122E+03 0.776E+01 -.176E+03 -.127E+03 -.115E+00 0.117E+02 0.521E+01 -.147E-02 -.103E-02 0.395E-03
-.105E+03 -.500E+02 0.165E+02 0.108E+03 0.510E+02 -.260E+02 -.331E+01 -.107E+01 0.954E+01 0.224E-02 0.124E-02 0.196E-02
0.727E+02 -.275E+02 0.100E+03 -.804E+02 0.306E+02 -.964E+02 0.768E+01 -.311E+01 -.354E+01 -.138E-02 0.844E-03 -.328E-03
-.127E+02 0.603E+01 0.184E+03 0.259E+01 -.281E+01 -.186E+03 0.100E+02 -.322E+01 0.192E+01 -.149E-03 -.250E-03 -.269E-02
0.209E+02 0.936E+00 0.146E+03 -.228E+02 -.170E+01 -.152E+03 0.197E+01 0.761E+00 0.567E+01 0.148E-03 -.755E-04 -.891E-03
-.179E+02 0.173E+03 -.845E+02 0.209E+02 -.176E+03 0.993E+02 -.298E+01 0.309E+01 -.147E+02 0.101E-02 -.782E-04 -.130E-02
-.606E+02 0.196E+03 -.584E+02 0.632E+02 -.208E+03 0.690E+02 -.260E+01 0.118E+02 -.106E+02 0.139E-02 -.514E-03 0.190E-03
0.273E+02 0.154E+03 -.612E+02 -.428E+02 -.161E+03 0.672E+02 0.155E+02 0.656E+01 -.602E+01 0.100E-02 0.405E-03 -.936E-03
0.960E+02 0.205E+02 -.961E+02 -.102E+03 -.193E+02 0.899E+02 0.603E+01 -.123E+01 0.619E+01 0.739E-04 -.385E-03 -.703E-03
0.995E+02 0.118E+03 -.444E+02 -.105E+03 -.128E+03 0.395E+02 0.546E+01 0.105E+02 0.482E+01 -.942E-03 0.568E-03 -.927E-04
-.110E+03 0.843E+02 -.287E+02 0.108E+03 -.886E+02 0.320E+02 0.191E+01 0.431E+01 -.334E+01 -.761E-03 0.180E-02 -.180E-03
-.500E+02 -.340E+02 0.797E+02 0.440E+02 0.367E+02 -.773E+02 0.598E+01 -.267E+01 -.239E+01 -.160E-02 0.887E-03 0.170E-02
-.534E+02 0.125E+03 0.169E+03 0.520E+02 -.137E+03 -.180E+03 0.134E+01 0.118E+02 0.108E+02 -.618E-03 -.567E-03 -.738E-03
-.773E+02 0.441E+02 0.170E+02 0.777E+02 -.506E+02 -.159E+02 -.392E+00 0.652E+01 -.105E+01 -.220E-03 0.173E-02 0.113E-02
0.360E+02 0.708E+02 0.508E+02 -.341E+02 -.791E+02 -.537E+02 -.191E+01 0.825E+01 0.289E+01 -.198E-02 -.628E-03 -.230E-03
0.776E+01 -.852E+01 -.279E+02 -.102E+02 0.117E+02 0.320E+02 0.249E+01 -.315E+01 -.413E+01 -.743E-03 -.439E-03 0.135E-02
-.536E+02 -.363E+02 0.235E+02 0.643E+02 0.313E+02 -.384E+02 -.106E+02 0.497E+01 0.149E+02 -.810E-03 0.331E-03 0.720E-03
0.154E+02 -.499E+02 -.553E+02 -.215E+02 0.539E+02 0.567E+02 0.615E+01 -.396E+01 -.136E+01 -.404E-03 0.406E-03 0.479E-03
0.492E+02 -.192E+03 -.753E+02 -.632E+02 0.214E+03 0.968E+02 0.140E+02 -.229E+02 -.216E+02 0.518E-03 -.105E-02 -.206E-03
-.622E+02 -.558E+02 -.215E+02 0.709E+02 0.479E+02 0.228E+02 -.864E+01 0.780E+01 -.131E+01 -.157E-03 -.238E-03 0.874E-03
-.178E+02 0.160E+02 -.134E+03 0.344E+02 -.218E+02 0.120E+03 -.167E+02 0.580E+01 0.143E+02 0.101E-02 0.302E-03 0.373E-03
0.119E+03 0.159E+03 0.117E+03 -.128E+03 -.172E+03 -.129E+03 0.858E+01 0.132E+02 0.122E+02 -.842E-03 0.426E-03 -.243E-02
-.660E+02 -.393E+02 -.826E+01 0.656E+02 0.376E+02 0.416E+01 0.465E+00 0.175E+01 0.410E+01 -.284E-03 -.689E-04 -.120E-02
0.567E+02 0.176E+02 0.400E+02 -.589E+02 -.165E+02 -.394E+02 0.226E+01 -.107E+01 -.650E+00 -.512E-03 -.211E-03 -.116E-02
-.601E+02 -.276E+02 -.340E+02 0.600E+02 0.270E+02 0.332E+02 0.147E+00 0.631E+00 0.796E+00 -.906E-04 -.154E-02 -.120E-02
0.134E+02 -.118E+03 -.709E+02 -.194E+02 0.120E+03 0.737E+02 0.597E+01 -.230E+01 -.279E+01 0.899E-03 -.484E-03 -.680E-03
-.468E+01 -.745E+02 -.351E+02 -.109E+01 0.701E+02 0.294E+02 0.578E+01 0.438E+01 0.569E+01 -.603E-03 -.144E-03 0.125E-02
-.860E+02 -.977E+02 -.366E+02 0.965E+02 0.915E+02 0.318E+02 -.106E+02 0.618E+01 0.482E+01 -.582E-03 0.581E-03 0.456E-03
0.551E+01 0.223E+03 -.689E+02 -.742E+01 -.214E+03 0.106E+03 0.192E+01 -.903E+01 -.370E+02 -.335E-03 0.114E-02 -.491E-04
-.706E+02 0.473E+02 -.545E+02 0.930E+02 -.422E+02 0.549E+02 -.224E+02 -.505E+01 -.417E+00 -.130E-03 -.410E-03 0.923E-03
-.182E+02 0.321E+03 0.151E+03 0.188E+02 -.349E+03 -.161E+03 -.679E+00 0.279E+02 0.100E+02 -.394E-03 0.805E-03 0.937E-03
0.167E+03 0.261E+02 0.617E+02 -.172E+03 -.408E+01 -.558E+02 0.550E+01 -.220E+02 -.589E+01 0.157E-03 0.194E-03 0.808E-03
-.136E+03 0.339E+02 0.499E+00 0.156E+03 -.151E+02 0.259E+02 -.202E+02 -.188E+02 -.263E+02 -.266E-03 0.471E-03 0.473E-03
0.670E+02 -.180E+03 -.562E+02 -.717E+02 0.201E+03 0.512E+02 0.466E+01 -.204E+02 0.500E+01 -.523E-03 -.108E-02 -.123E-02
-.349E+02 0.863E+02 0.574E+02 0.413E+02 -.907E+02 -.572E+02 -.641E+01 0.439E+01 -.170E+00 -.695E-03 0.152E-03 0.169E-03
-.804E+02 -.125E+02 0.389E+02 0.882E+02 0.170E+02 -.372E+02 -.777E+01 -.444E+01 -.171E+01 -.600E-03 0.465E-03 0.928E-03
0.443E+02 0.274E+02 0.918E+02 -.503E+02 -.304E+02 -.101E+03 0.595E+01 0.300E+01 0.927E+01 0.734E-03 0.118E-03 -.767E-03
0.958E+02 0.455E+02 0.599E+02 -.958E+02 -.471E+02 -.408E+02 0.662E-01 0.162E+01 -.192E+02 -.227E-02 -.361E-04 -.269E-03
0.358E+02 0.129E+03 0.619E+02 -.367E+02 -.131E+03 -.623E+02 0.806E+00 0.215E+01 0.397E+00 -.222E-02 -.108E-02 0.176E-02
0.169E+02 0.798E+02 0.566E+02 -.137E+02 -.698E+02 -.586E+02 -.326E+01 -.100E+02 0.204E+01 -.202E-02 0.187E-03 -.404E-03
0.103E+03 -.333E+02 -.772E+02 -.107E+03 0.302E+02 0.763E+02 0.423E+01 0.315E+01 0.897E+00 -.619E-03 0.859E-03 -.710E-04
-.572E+02 0.722E+02 0.324E+02 0.733E+02 -.706E+02 -.331E+02 -.161E+02 -.159E+01 0.626E+00 -.153E-02 -.445E-03 0.924E-03
0.102E+03 0.167E+02 -.128E+03 -.116E+03 -.214E+02 0.141E+03 0.134E+02 0.464E+01 -.131E+02 0.139E-04 0.875E-03 -.280E-03
-.221E+01 -.220E+02 -.463E+02 0.156E+01 0.241E+02 0.484E+02 0.645E+00 -.216E+01 -.207E+01 -.325E-03 0.516E-03 0.136E-02
0.510E+02 -.930E+02 -.400E+02 -.445E+02 0.935E+02 0.418E+02 -.652E+01 -.528E+00 -.179E+01 -.169E-03 0.573E-03 -.428E-03
0.151E+03 -.254E+02 -.460E+02 -.168E+03 0.269E+02 0.444E+02 0.167E+02 -.144E+01 0.152E+01 -.731E-03 -.104E-02 -.255E-02
-.127E+02 -.106E+03 -.107E+02 0.943E+01 0.104E+03 0.519E+01 0.327E+01 0.188E+01 0.551E+01 0.635E-03 0.136E-02 -.684E-03
-.809E+02 0.369E+02 0.119E+03 0.965E+02 -.439E+02 -.128E+03 -.156E+02 0.701E+01 0.902E+01 -.154E-03 -.353E-03 0.437E-03
0.386E+02 -.113E+03 0.488E+02 -.513E+02 0.121E+03 -.538E+02 0.127E+02 -.818E+01 0.508E+01 -.170E-03 0.350E-04 -.528E-03
0.568E+02 -.128E+03 -.114E+03 -.579E+02 0.136E+03 0.114E+03 0.113E+01 -.884E+01 0.514E+00 -.190E-03 -.327E-03 -.515E-03
-.221E+02 -.153E+03 0.584E+02 0.201E+02 0.161E+03 -.754E+02 0.206E+01 -.748E+01 0.169E+02 -.749E-04 -.347E-03 -.715E-03
0.247E+02 -.106E+03 -.767E+02 -.270E+02 0.115E+03 0.750E+02 0.228E+01 -.863E+01 0.168E+01 -.126E-02 0.201E-03 -.221E-02
-.541E+02 0.280E+02 -.187E+03 0.447E+02 -.177E+02 0.223E+03 0.936E+01 -.103E+02 -.358E+02 0.399E-02 -.156E-02 0.308E-02
0.279E+02 -.178E+02 -.515E+02 -.376E+02 0.185E+02 0.478E+02 0.971E+01 -.692E+00 0.368E+01 -.219E-02 0.205E-02 0.652E-03
-.484E+02 0.117E+03 -.311E+02 0.500E+02 -.119E+03 0.325E+02 -.164E+01 0.161E+01 -.143E+01 0.866E-03 0.164E-02 0.968E-03
-.455E+02 -.149E+02 -.195E+02 0.476E+02 0.243E+02 0.186E+02 -.205E+01 -.938E+01 0.947E+00 0.590E-03 0.872E-03 0.864E-03
0.213E+03 -.103E+03 -.134E+02 -.246E+03 0.947E+02 -.283E+01 0.334E+02 0.852E+01 0.162E+02 0.106E-02 -.575E-03 -.135E-02
-.169E+03 -.157E+03 -.418E+02 0.180E+03 0.189E+03 0.327E+02 -.105E+02 -.319E+02 0.909E+01 -.183E-02 0.738E-04 -.120E-02
-.101E+03 0.154E+03 -.591E+02 0.100E+03 -.168E+03 0.711E+02 0.891E+00 0.145E+02 -.120E+02 -.374E-03 0.127E-03 -.602E-03
-.281E+03 0.134E+03 0.107E+03 0.312E+03 -.142E+03 -.883E+02 -.315E+02 0.749E+01 -.193E+02 -.190E-04 -.104E-02 0.263E-02
-.894E+02 0.889E+02 0.168E+02 0.903E+02 -.776E+02 -.125E+02 -.895E+00 -.113E+02 -.436E+01 -.885E-03 0.757E-03 0.339E-04
-.425E+02 -.270E+02 0.831E+02 0.392E+02 0.370E+02 -.884E+02 0.325E+01 -.100E+02 0.532E+01 0.185E-04 0.406E-03 -.123E-02
0.303E+02 0.156E+03 -.637E+02 -.317E+02 -.181E+03 0.858E+02 0.136E+01 0.259E+02 -.221E+02 -.664E-03 0.878E-03 0.228E-04
-.328E+02 0.157E+03 0.371E+02 0.338E+02 -.166E+03 -.371E+02 -.104E+01 0.822E+01 0.248E-01 0.229E-02 0.145E-03 0.605E-03
0.620E+01 0.698E+02 0.978E+02 -.632E+01 -.672E+02 -.100E+03 0.117E+00 -.258E+01 0.216E+01 0.440E-03 -.119E-02 0.198E-02
-.662E+02 0.309E+03 0.114E+03 0.736E+02 -.334E+03 -.122E+03 -.740E+01 0.250E+02 0.761E+01 0.356E-03 0.478E-03 0.129E-02
-.467E+02 -.274E+02 0.734E+02 0.519E+02 0.328E+02 -.769E+02 -.523E+01 -.539E+01 0.356E+01 0.736E-03 0.155E-03 0.303E-03
-.953E+02 -.148E+03 -.565E+01 0.975E+02 0.163E+03 -.960E+00 -.225E+01 -.153E+02 0.662E+01 -.546E-03 -.153E-02 -.992E-03
-.950E+02 -.177E+02 -.122E+03 0.101E+03 0.237E+02 0.131E+03 -.625E+01 -.601E+01 -.850E+01 -.386E-04 -.322E-03 0.251E-03
-.578E+02 -.377E+02 0.324E+02 0.659E+02 0.428E+02 -.441E+02 -.815E+01 -.508E+01 0.117E+02 0.727E-03 0.158E-03 0.987E-03
-.330E+02 0.418E+02 -.791E+02 0.333E+02 -.401E+02 0.822E+02 -.336E+00 -.168E+01 -.305E+01 -.738E-03 0.275E-04 -.598E-03
0.214E+02 -.856E+02 -.944E+02 -.180E+02 0.104E+03 0.902E+02 -.336E+01 -.183E+02 0.417E+01 0.411E-03 0.422E-03 -.151E-02
-.175E+02 -.177E+01 -.147E+02 0.177E+02 0.198E+01 0.179E+02 -.132E+00 -.212E+00 -.324E+01 0.581E-04 -.140E-05 0.302E-04
-.326E+02 0.683E+01 0.100E+02 0.346E+02 -.794E+01 -.122E+02 -.207E+01 0.112E+01 0.221E+01 0.193E-03 -.140E-03 0.173E-03
0.924E+01 -.329E+02 -.135E+02 -.980E+01 0.356E+02 0.150E+02 0.586E+00 -.271E+01 -.156E+01 0.235E-04 0.328E-03 0.184E-03
-.761E+01 -.124E+02 -.638E+02 0.873E+01 0.104E+02 0.690E+02 -.111E+01 0.194E+01 -.518E+01 0.961E-04 0.115E-03 -.228E-03
-.305E+02 0.654E+01 0.928E+00 0.337E+02 -.706E+01 -.834E+00 -.313E+01 0.521E+00 -.818E-01 0.217E-03 -.913E-04 -.111E-03
0.541E+02 -.298E+02 -.122E+02 -.594E+02 0.318E+02 0.122E+02 0.532E+01 -.199E+01 0.508E-01 0.267E-03 0.339E-04 -.270E-04
0.144E+02 0.227E+02 -.366E+02 -.142E+02 -.253E+02 0.380E+02 -.198E+00 0.255E+01 -.142E+01 -.114E-03 0.107E-03 -.752E-04
0.274E+02 -.829E+01 -.376E+02 -.293E+02 0.100E+02 0.391E+02 0.191E+01 -.174E+01 -.154E+01 0.111E-03 0.271E-04 0.641E-05
-.196E+02 0.138E+02 0.325E+02 0.215E+02 -.151E+02 -.344E+02 -.189E+01 0.133E+01 0.192E+01 -.761E-04 0.172E-03 -.160E-03
-.572E+01 0.321E+02 0.234E+02 0.729E+01 -.343E+02 -.250E+02 -.158E+01 0.225E+01 0.158E+01 -.907E-04 0.105E-03 0.155E-03
0.850E+01 -.360E+02 -.270E+02 -.874E+01 0.379E+02 0.286E+02 0.264E+00 -.188E+01 -.160E+01 -.179E-03 0.104E-04 -.128E-04
-.219E+02 -.188E+02 0.176E+02 0.246E+02 0.196E+02 -.192E+02 -.267E+01 -.832E+00 0.167E+01 -.779E-04 0.804E-04 0.241E-03
0.991E-01 -.355E+01 0.164E+02 -.135E+01 0.324E+01 -.173E+02 0.125E+01 0.318E+00 0.867E+00 -.715E-04 0.776E-04 0.232E-04
-.155E+02 0.167E+02 -.304E+02 0.160E+02 -.192E+02 0.321E+02 -.464E+00 0.253E+01 -.171E+01 0.215E-04 -.859E-04 -.117E-03
-.201E+02 0.668E+01 -.250E+02 0.220E+02 -.819E+01 0.267E+02 -.195E+01 0.153E+01 -.178E+01 0.174E-03 0.784E-04 0.149E-03
-.265E+02 0.121E+00 -.256E+02 0.290E+02 0.275E+00 0.273E+02 -.255E+01 -.406E+00 -.174E+01 -.118E-03 -.128E-03 -.185E-04
-.355E+02 -.354E+02 -.526E+02 0.375E+02 0.389E+02 0.566E+02 -.201E+01 -.343E+01 -.403E+01 0.174E-04 0.654E-04 0.229E-03
-.521E+02 0.195E+02 0.438E+00 0.563E+02 -.226E+02 -.229E+01 -.423E+01 0.309E+01 0.186E+01 0.923E-04 -.135E-03 0.251E-04
0.138E+02 -.186E+01 -.157E+01 -.162E+02 0.357E+01 0.124E+01 0.240E+01 -.171E+01 0.319E+00 0.350E-03 -.178E-03 -.319E-04
0.202E+02 0.143E+01 -.139E+02 -.226E+02 -.218E+01 0.158E+02 0.236E+01 0.737E+00 -.190E+01 0.570E-03 0.152E-03 0.161E-03
0.198E+02 0.302E+02 -.182E+01 -.209E+02 -.328E+02 0.306E+01 0.114E+01 0.255E+01 -.124E+01 0.222E-03 -.152E-03 -.751E-04
0.596E+01 -.266E+02 -.357E+02 -.810E+01 0.288E+02 0.399E+02 0.213E+01 -.215E+01 -.428E+01 0.486E-03 -.326E-03 0.774E-04
-.580E+02 -.126E+02 -.239E+02 0.627E+02 0.136E+02 0.262E+02 -.468E+01 -.105E+01 -.228E+01 0.169E-03 -.160E-03 0.118E-03
0.348E+02 0.178E+02 -.101E+02 -.385E+02 -.200E+02 0.131E+02 0.376E+01 0.224E+01 -.302E+01 -.970E-05 -.268E-03 -.106E-03
0.214E+02 -.403E+02 0.350E+02 -.233E+02 0.444E+02 -.377E+02 0.197E+01 -.406E+01 0.269E+01 0.200E-03 -.477E-03 0.194E-04
-.101E+01 -.736E+02 -.114E+02 0.191E+01 0.788E+02 0.120E+02 -.897E+00 -.515E+01 -.624E+00 -.490E-04 -.186E-03 0.189E-03
0.278E+02 -.305E+02 0.132E+02 -.317E+02 0.337E+02 -.149E+02 0.391E+01 -.320E+01 0.168E+01 -.179E-03 -.110E-03 0.445E-04
0.126E+02 0.520E+02 0.687E+01 -.142E+02 -.569E+02 -.627E+01 0.165E+01 0.492E+01 -.593E+00 0.228E-04 -.283E-03 0.133E-03
0.207E+02 -.559E+02 0.150E+02 -.234E+02 0.594E+02 -.178E+02 0.270E+01 -.352E+01 0.280E+01 0.122E-03 0.665E-04 0.203E-03
0.608E+02 0.178E+02 0.119E+02 -.659E+02 -.188E+02 -.112E+02 0.511E+01 0.973E+00 -.735E+00 0.696E-04 -.391E-04 -.199E-03
0.414E+02 0.230E+02 0.511E+02 -.442E+02 -.254E+02 -.545E+02 0.285E+01 0.240E+01 0.347E+01 0.150E-04 0.397E-04 0.303E-03
-.491E+02 0.971E+01 0.428E+02 0.529E+02 -.112E+02 -.460E+02 -.385E+01 0.151E+01 0.328E+01 0.444E-03 -.109E-03 -.288E-03
0.125E+02 -.236E+02 -.345E+02 -.153E+02 0.262E+02 0.381E+02 0.282E+01 -.267E+01 -.358E+01 0.316E-03 0.233E-03 0.333E-03
-.357E+02 -.743E+01 -.289E+02 0.409E+02 0.774E+01 0.302E+02 -.514E+01 -.310E+00 -.125E+01 0.255E-04 0.531E-04 -.611E-04
0.170E+02 0.661E+02 -.328E+02 -.190E+02 -.702E+02 0.354E+02 0.197E+01 0.414E+01 -.253E+01 -.344E-04 -.470E-04 -.991E-04
0.727E+01 0.464E+02 -.634E+01 -.694E+01 -.515E+02 0.703E+01 -.337E+00 0.512E+01 -.704E+00 0.245E-03 0.228E-03 0.592E-04
-.304E+02 -.165E+02 0.529E+02 0.317E+02 0.182E+02 -.577E+02 -.128E+01 -.168E+01 0.478E+01 0.353E-04 0.256E-03 -.214E-03
-.115E+01 -.520E+02 0.442E+02 0.120E+00 0.545E+02 -.487E+02 0.101E+01 -.253E+01 0.446E+01 -.181E-03 -.135E-03 0.269E-03
0.153E+02 -.445E+02 -.560E+01 -.157E+02 0.492E+02 0.311E+01 0.389E+00 -.475E+01 0.250E+01 -.303E-04 -.250E-03 0.990E-04
-.517E+02 0.206E+02 -.695E+01 0.568E+02 -.222E+02 0.752E+01 -.504E+01 0.164E+01 -.555E+00 -.406E-04 -.294E-03 -.189E-03
0.737E+01 -.709E+02 -.174E+02 -.712E+01 0.761E+02 0.179E+02 -.248E+00 -.511E+01 -.514E+00 -.204E-04 0.304E-03 -.166E-04
-.434E+01 0.498E+02 0.318E+01 0.587E+01 -.547E+02 -.397E+01 -.153E+01 0.494E+01 0.790E+00 0.260E-04 -.122E-03 -.186E-04
0.347E+02 0.564E+02 0.268E+02 -.369E+02 -.602E+02 -.297E+02 0.217E+01 0.374E+01 0.288E+01 -.161E-03 0.253E-04 -.618E-04
-.147E+02 0.381E+02 -.278E+02 0.173E+02 -.426E+02 0.284E+02 -.258E+01 0.450E+01 -.618E+00 -.207E-03 -.141E-03 -.405E-04
-.460E+02 0.179E+02 0.376E+02 0.506E+02 -.196E+02 -.394E+02 -.461E+01 0.164E+01 0.186E+01 0.317E-03 -.276E-03 0.301E-04
-.127E+02 0.446E+02 0.173E+01 0.124E+02 -.500E+02 -.202E+01 0.347E+00 0.539E+01 0.291E+00 0.294E-03 -.795E-04 0.176E-03
0.451E+01 -.618E+02 0.155E+02 -.490E+01 0.668E+02 -.173E+02 0.380E+00 -.496E+01 0.182E+01 0.929E-04 -.358E-03 0.213E-03
-.353E+02 0.743E+01 0.393E+02 0.385E+02 -.835E+01 -.432E+02 -.326E+01 0.917E+00 0.391E+01 0.316E-03 0.963E-04 0.205E-03
0.396E+02 0.135E+02 0.351E+02 -.431E+02 -.161E+02 -.381E+02 0.353E+01 0.257E+01 0.291E+01 0.203E-03 0.106E-03 0.261E-03
-.313E+02 0.274E+02 -.291E+02 0.337E+02 -.297E+02 0.331E+02 -.240E+01 0.234E+01 -.393E+01 0.506E-04 -.502E-04 0.589E-04
0.182E+01 -.314E+02 0.370E+02 -.286E+01 0.340E+02 -.416E+02 0.103E+01 -.259E+01 0.461E+01 -.191E-03 -.215E-03 0.161E-04
0.427E+02 0.298E+02 0.195E+02 -.479E+02 -.306E+02 -.195E+02 0.522E+01 0.850E+00 0.242E-01 -.651E-04 0.560E-04 0.814E-04
0.820E+01 0.339E+02 0.282E+02 -.918E+01 -.367E+02 -.326E+02 0.973E+00 0.280E+01 0.445E+01 -.219E-03 -.187E-03 -.204E-03
0.220E+02 -.423E+02 0.360E+01 -.242E+02 0.468E+02 -.154E+01 0.214E+01 -.450E+01 -.206E+01 0.289E-03 0.282E-03 0.328E-03
0.155E+02 0.381E+02 -.434E+02 -.166E+02 -.417E+02 0.471E+02 0.115E+01 0.363E+01 -.370E+01 0.206E-03 -.270E-03 -.129E-03
-.450E+02 0.399E+02 0.319E+02 0.464E+02 -.439E+02 -.352E+02 -.145E+01 0.398E+01 0.333E+01 0.607E-04 0.839E-04 -.180E-03
-.582E+02 -.308E+02 0.542E+01 0.629E+02 0.329E+02 -.551E+01 -.471E+01 -.215E+01 0.970E-01 0.160E-03 -.315E-03 0.277E-03
-.182E+02 -.178E+02 0.455E+02 0.190E+02 0.189E+02 -.507E+02 -.791E+00 -.110E+01 0.516E+01 0.222E-03 -.371E-04 0.941E-04
0.364E+02 -.286E+01 0.638E+02 -.388E+02 0.378E+01 -.685E+02 0.238E+01 -.924E+00 0.460E+01 0.253E-03 -.228E-03 0.336E-04
-.245E+02 -.264E+02 -.317E+02 0.278E+02 0.286E+02 0.351E+02 -.334E+01 -.221E+01 -.340E+01 -.293E-03 -.232E-03 -.270E-03
0.349E+02 -.175E+02 0.345E+02 -.377E+02 0.171E+02 -.388E+02 0.279E+01 0.347E+00 0.437E+01 0.119E-03 -.483E-04 0.258E-03
0.175E+02 0.250E+02 -.345E+02 -.199E+02 -.277E+02 0.383E+02 0.238E+01 0.272E+01 -.384E+01 -.258E-03 -.919E-04 0.955E-05
-.122E+02 0.568E+01 0.492E+02 0.145E+02 -.570E+01 -.539E+02 -.238E+01 0.230E-01 0.466E+01 0.480E-03 0.322E-04 -.318E-03
-.177E+02 -.547E+02 -.538E+02 0.195E+02 0.575E+02 0.578E+02 -.184E+01 -.280E+01 -.404E+01 -.132E-03 0.115E-03 -.155E-05
0.176E+02 -.277E+01 0.579E+02 -.171E+02 0.449E+01 -.629E+02 -.454E+00 -.171E+01 0.500E+01 0.694E-04 -.408E-04 -.202E-03
-.242E+02 0.459E+02 0.311E+01 0.275E+02 -.497E+02 -.183E+01 -.338E+01 0.381E+01 -.128E+01 -.231E-03 0.702E-05 0.149E-03
-.280E+02 -.422E+02 0.656E+01 0.284E+02 0.474E+02 -.626E+01 -.421E+00 -.526E+01 -.293E+00 -.744E-04 0.244E-03 0.144E-04
-.556E+02 -.757E+01 -.197E+02 0.605E+02 0.846E+01 0.213E+02 -.490E+01 -.893E+00 -.152E+01 0.254E-03 0.352E-03 0.173E-03
0.271E+02 -.294E+02 -.541E+02 -.294E+02 0.326E+02 0.576E+02 0.223E+01 -.311E+01 -.345E+01 0.243E-03 -.143E-04 0.302E-04
-.180E+02 0.452E+02 0.258E+02 0.201E+02 -.473E+02 -.302E+02 -.213E+01 0.211E+01 0.439E+01 0.461E-04 -.494E-04 -.354E-03
-.314E+02 -.257E+02 -.402E+02 0.345E+02 0.275E+02 0.439E+02 -.314E+01 -.180E+01 -.376E+01 0.442E-04 0.240E-03 0.164E-03
-.573E+02 0.622E+01 -.128E+02 0.620E+02 -.734E+01 0.150E+02 -.464E+01 0.113E+01 -.215E+01 0.741E-05 0.111E-03 0.107E-03
-.200E+02 -.563E+02 -.219E+02 0.212E+02 0.600E+02 0.253E+02 -.119E+01 -.378E+01 -.343E+01 -.444E-03 -.212E-03 -.361E-04
-.356E+01 -.109E+02 -.650E+02 0.525E+01 0.119E+02 0.699E+02 -.166E+01 -.937E+00 -.495E+01 -.284E-03 0.305E-08 -.565E-03
0.261E+02 0.266E+02 -.381E+02 -.286E+02 -.295E+02 0.417E+02 0.257E+01 0.294E+01 -.362E+01 -.167E-03 -.108E-03 0.459E-04
0.313E+02 -.134E+02 -.513E+02 -.337E+02 0.120E+02 0.557E+02 0.245E+01 0.140E+01 -.432E+01 -.162E-03 -.355E-04 0.293E-03
-.313E+02 -.190E+02 0.349E+02 0.351E+02 0.216E+02 -.376E+02 -.378E+01 -.258E+01 0.269E+01 0.712E-04 0.332E-04 -.571E-04
0.579E+02 0.757E+01 -.230E+02 -.619E+02 -.498E+01 0.250E+02 0.409E+01 -.259E+01 -.201E+01 -.212E-03 -.112E-05 -.351E-04
0.438E+02 -.250E+01 0.266E+02 -.464E+02 0.166E+01 -.309E+02 0.257E+01 0.831E+00 0.433E+01 0.682E-04 -.399E-04 0.774E-04
0.289E+02 0.368E+02 0.237E+02 -.323E+02 -.405E+02 -.251E+02 0.339E+01 0.374E+01 0.133E+01 0.340E-03 0.187E-04 0.234E-03
-.549E+02 -.690E+01 0.152E+02 0.598E+02 0.796E+01 -.168E+02 -.487E+01 -.106E+01 0.162E+01 0.297E-03 -.110E-03 0.860E-04
-.226E+02 -.208E+02 -.436E+02 0.247E+02 0.215E+02 0.482E+02 -.215E+01 -.798E+00 -.468E+01 -.189E-03 -.163E-03 -.282E-03
-.572E+01 -.602E+02 -.148E+01 0.540E+01 0.655E+02 0.157E+01 0.313E+00 -.524E+01 -.871E-01 -.589E-04 0.170E-03 0.279E-03
0.299E+02 -.210E+02 -.306E+02 -.328E+02 0.227E+02 0.347E+02 0.287E+01 -.167E+01 -.407E+01 -.745E-04 -.563E-05 0.143E-03
0.372E+02 0.131E+02 -.230E+01 -.421E+02 -.147E+02 0.273E+01 0.489E+01 0.163E+01 -.449E+00 -.245E-03 -.295E-04 0.377E-04
0.143E+02 0.338E+02 0.557E+01 -.161E+02 -.387E+02 -.652E+01 0.178E+01 0.486E+01 0.942E+00 -.582E-04 0.158E-03 -.216E-03
-.226E+02 0.337E+02 0.598E+02 0.243E+02 -.355E+02 -.645E+02 -.166E+01 0.185E+01 0.466E+01 0.588E-05 0.152E-03 -.107E-03
0.508E+02 -.159E+02 -.305E+02 -.555E+02 0.179E+02 0.317E+02 0.468E+01 -.199E+01 -.125E+01 -.365E-03 -.309E-03 -.207E-03
-.396E+02 -.170E+02 0.406E+02 0.438E+02 0.184E+02 -.435E+02 -.427E+01 -.142E+01 0.288E+01 0.736E-03 0.227E-03 -.156E-04
-.483E+02 -.624E+01 -.199E+02 0.534E+02 0.710E+01 0.207E+02 -.512E+01 -.851E+00 -.821E+00 0.251E-03 -.133E-03 -.210E-03
-.694E+02 -.605E+01 -.192E+02 0.740E+02 0.743E+01 0.214E+02 -.457E+01 -.138E+01 -.218E+01 -.273E-04 0.228E-03 -.181E-03
0.222E+02 -.123E+02 -.341E+02 -.236E+02 0.125E+02 0.394E+02 0.147E+01 -.141E+00 -.529E+01 -.125E-03 -.194E-04 0.269E-03
-.210E+02 0.342E+02 0.198E+02 0.239E+02 -.388E+02 -.205E+02 -.293E+01 0.461E+01 0.659E+00 -.438E-04 -.154E-03 0.202E-04
-.257E+02 -.305E+02 0.726E+01 0.292E+02 0.346E+02 -.807E+01 -.347E+01 -.417E+01 0.816E+00 0.138E-03 0.264E-03 0.692E-04
0.907E+01 -.436E+02 -.444E+02 -.857E+01 0.485E+02 0.465E+02 -.494E+00 -.495E+01 -.204E+01 0.251E-03 0.117E-04 -.900E-05
0.532E+02 -.119E+01 0.457E+00 -.581E+02 0.735E+00 -.278E+01 0.490E+01 0.454E+00 0.231E+01 0.261E-03 -.470E-04 0.480E-05
0.173E+01 0.308E+02 -.604E+02 -.148E+01 -.344E+02 0.645E+02 -.244E+00 0.352E+01 -.409E+01 0.179E-03 -.404E-04 0.829E-04
0.157E+02 -.169E+02 -.437E+02 -.162E+02 0.202E+02 0.481E+02 0.467E+00 -.322E+01 -.439E+01 0.372E-03 -.179E-03 -.338E-03
0.514E+02 -.212E+01 0.204E+02 -.559E+02 0.236E+01 -.234E+02 0.450E+01 -.234E+00 0.291E+01 0.600E-03 -.203E-04 -.256E-04
0.864E+01 0.478E+02 -.331E+02 -.804E+01 -.528E+02 0.349E+02 -.594E+00 0.496E+01 -.178E+01 0.298E-03 0.193E-03 -.173E-03
0.735E+01 0.363E+02 -.240E+02 -.511E+01 -.408E+02 0.264E+02 -.223E+01 0.442E+01 -.239E+01 0.311E-03 -.835E-04 -.931E-04
0.191E+02 -.243E+02 -.334E+02 -.179E+02 0.288E+02 0.368E+02 -.112E+01 -.444E+01 -.335E+01 0.284E-03 -.208E-03 -.255E-04
0.666E+02 0.998E+01 -.213E+01 -.717E+02 -.108E+02 0.201E+01 0.511E+01 0.799E+00 0.990E-01 0.349E-03 -.133E-03 -.118E-03
0.368E+02 -.178E+02 0.346E+02 -.418E+02 0.199E+02 -.356E+02 0.506E+01 -.205E+01 0.977E+00 0.537E-03 -.561E-04 -.218E-04
-.165E+02 -.350E+02 0.916E+01 0.199E+02 0.393E+02 -.836E+01 -.343E+01 -.428E+01 -.804E+00 0.146E-03 -.149E-03 -.184E-03
0.496E+00 0.264E+02 0.567E+02 0.945E+00 -.289E+02 -.611E+02 -.145E+01 0.253E+01 0.447E+01 0.315E-03 0.137E-03 0.301E-04
0.442E+02 -.208E+02 0.112E+02 -.485E+02 0.240E+02 -.128E+02 0.435E+01 -.311E+01 0.152E+01 -.109E-03 0.172E-03 -.200E-03
0.885E+01 -.117E+02 -.362E+02 -.887E+01 0.113E+02 0.418E+02 0.170E-01 0.361E+00 -.555E+01 -.457E-04 0.966E-04 0.125E-03
-.361E+02 -.231E+02 0.119E+02 0.405E+02 0.261E+02 -.133E+02 -.435E+01 -.296E+01 0.139E+01 -.332E-04 0.190E-03 -.192E-03
0.239E+02 0.365E+02 0.753E+00 -.274E+02 -.406E+02 0.751E+00 0.351E+01 0.408E+01 -.150E+01 0.198E-03 -.128E-04 0.107E-04
0.302E+01 0.146E+02 0.436E+02 -.234E+01 -.145E+02 -.489E+02 -.680E+00 -.105E+00 0.537E+01 -.546E-06 -.956E-04 0.221E-03
-.448E+02 0.222E+02 -.175E+02 0.495E+02 -.237E+02 0.194E+02 -.473E+01 0.150E+01 -.195E+01 -.266E-03 0.492E-05 -.323E-04
0.162E+02 0.322E+02 0.151E+02 -.170E+02 -.369E+02 -.168E+02 0.759E+00 0.473E+01 0.169E+01 -.606E-03 -.788E-04 -.106E-03
0.400E+02 -.335E+02 0.325E+02 -.434E+02 0.367E+02 -.355E+02 0.341E+01 -.325E+01 0.297E+01 -.567E-03 0.527E-04 0.814E-04
-.260E+02 -.153E+02 0.224E+02 0.312E+02 0.166E+02 -.236E+02 -.528E+01 -.131E+01 0.128E+01 -.467E-03 0.695E-04 -.529E-03
-.138E+02 0.293E+02 0.246E+02 0.169E+02 -.334E+02 -.266E+02 -.312E+01 0.414E+01 0.193E+01 0.256E-03 0.546E-04 -.579E-04
-.510E+01 -.247E+01 -.346E+02 0.572E+01 0.224E+01 0.400E+02 -.618E+00 0.223E+00 -.539E+01 0.110E-03 0.234E-04 -.217E-03
0.459E+02 0.705E+01 0.291E+02 -.511E+02 -.825E+01 -.302E+02 0.512E+01 0.120E+01 0.107E+01 0.330E-03 0.131E-03 0.119E-03
0.373E+02 0.578E+01 -.212E+02 -.414E+02 -.732E+01 0.243E+02 0.414E+01 0.155E+01 -.307E+01 -.253E-04 0.183E-03 -.114E-03
-.194E+02 -.363E+02 -.315E+02 0.222E+02 0.404E+02 0.341E+02 -.274E+01 -.412E+01 -.258E+01 0.525E-04 0.270E-03 -.171E-03
0.241E+02 -.895E+01 0.285E+02 -.263E+02 0.112E+02 -.332E+02 0.222E+01 -.229E+01 0.463E+01 0.271E-04 0.858E-04 0.393E-04
-.580E+02 0.222E+01 -.454E+01 0.633E+02 -.367E+01 0.440E+01 -.531E+01 0.145E+01 0.142E+00 0.214E-03 0.716E-04 0.979E-04
0.930E+01 0.212E+02 -.225E+02 -.125E+02 -.258E+02 0.228E+02 0.322E+01 0.464E+01 -.231E+00 -.152E-03 -.160E-03 -.227E-03
-.385E+01 -.183E+02 -.577E+02 0.310E+01 0.206E+02 0.623E+02 0.754E+00 -.234E+01 -.461E+01 0.243E-03 -.475E-04 0.742E-04
-.492E+02 0.111E+02 -.167E+00 0.537E+02 -.139E+02 -.748E+00 -.455E+01 0.277E+01 0.925E+00 -.127E-03 -.183E-03 0.759E-05
-.171E+02 -.347E+02 -.507E+02 0.175E+02 0.371E+02 0.554E+02 -.447E+00 -.235E+01 -.477E+01 -.274E-03 -.167E-03 0.480E-04
0.212E+02 0.213E+02 -.540E+01 -.256E+02 -.247E+02 0.567E+01 0.431E+01 0.335E+01 -.266E+00 -.324E-03 -.163E-03 0.135E-03
-.162E+02 -.433E+02 -.459E+01 0.181E+02 0.480E+02 0.658E+01 -.190E+01 -.469E+01 -.198E+01 -.454E-04 0.209E-04 0.153E-03
-.408E+02 0.227E+02 0.435E+02 0.448E+02 -.252E+02 -.460E+02 -.408E+01 0.248E+01 0.247E+01 0.972E-04 -.954E-04 0.507E-04
0.285E+02 -.113E+02 0.393E+02 -.323E+02 0.125E+02 -.430E+02 0.375E+01 -.117E+01 0.371E+01 -.622E-04 -.533E-05 0.138E-03
0.361E+02 -.938E+01 0.251E+02 -.392E+02 0.119E+02 -.288E+02 0.312E+01 -.249E+01 0.368E+01 -.106E-03 0.937E-04 -.261E-03
0.899E+01 0.400E+02 0.128E+02 -.826E+01 -.452E+02 -.145E+02 -.733E+00 0.512E+01 0.165E+01 -.375E-05 -.129E-03 -.217E-03
0.360E+02 0.966E+01 -.465E+02 -.389E+02 -.996E+01 0.510E+02 0.291E+01 0.308E+00 -.454E+01 -.155E-03 0.479E-04 0.148E-03
0.845E+01 -.407E+02 0.302E+02 -.698E+01 0.453E+02 -.329E+02 -.147E+01 -.466E+01 0.269E+01 0.210E-04 0.349E-04 0.198E-03
0.398E+02 0.332E+02 0.435E+02 -.431E+02 -.359E+02 -.469E+02 0.331E+01 0.261E+01 0.333E+01 -.831E-04 -.493E-04 0.164E-03
0.340E+02 -.170E+02 -.139E+02 -.372E+02 0.185E+02 0.182E+02 0.320E+01 -.148E+01 -.440E+01 -.122E-03 -.705E-05 0.262E-03
-.252E+02 -.358E+02 0.105E+02 0.275E+02 0.401E+02 -.127E+02 -.228E+01 -.434E+01 0.219E+01 0.906E-04 -.412E-04 0.779E-04
-.280E+02 0.262E+02 -.380E+01 0.320E+02 -.298E+02 0.489E+01 -.400E+01 0.355E+01 -.109E+01 -.102E-03 0.247E-04 0.135E-03
0.180E+02 0.288E+02 0.213E+02 -.212E+02 -.312E+02 -.251E+02 0.318E+01 0.239E+01 0.380E+01 0.216E-04 -.519E-04 0.155E-03
-.270E+02 0.290E+02 -.255E+02 0.297E+02 -.332E+02 0.276E+02 -.270E+01 0.425E+01 -.209E+01 -.245E-03 0.327E-03 0.544E-04
-.402E+01 -.431E+02 -.337E+02 0.481E+01 0.472E+02 0.369E+02 -.773E+00 -.413E+01 -.328E+01 -.183E-03 -.149E-03 0.943E-05
0.343E+02 -.356E+01 -.307E+01 -.399E+02 0.228E+01 0.336E+01 0.562E+01 0.128E+01 -.294E+00 0.184E-03 0.169E-03 0.232E-03
0.427E+02 0.300E+02 0.158E+02 -.475E+02 -.316E+02 -.181E+02 0.476E+01 0.158E+01 0.228E+01 0.109E-03 0.437E-03 0.160E-03
-.347E+02 0.280E+02 0.279E+02 0.388E+02 -.298E+02 -.311E+02 -.406E+01 0.182E+01 0.320E+01 -.314E-03 0.263E-03 0.644E-04
0.586E+01 0.472E+02 -.481E+02 -.550E+01 -.496E+02 0.528E+02 -.359E+00 0.247E+01 -.473E+01 -.209E-03 0.276E-03 -.147E-03
-.534E+02 -.839E+01 -.298E+02 0.585E+02 0.771E+01 0.316E+02 -.507E+01 0.686E+00 -.180E+01 -.325E-04 -.122E-03 0.894E-05
0.363E+01 -.533E+02 0.142E+02 -.382E+01 0.581E+02 -.166E+02 0.203E+00 -.486E+01 0.231E+01 -.248E-04 0.426E-04 -.548E-04
0.299E+02 -.137E+02 -.449E+02 -.330E+02 0.138E+02 0.492E+02 0.313E+01 -.113E+00 -.438E+01 -.946E-04 -.391E-04 0.261E-03
-.158E+02 0.203E+02 -.436E+02 0.163E+02 -.232E+02 0.482E+02 -.501E+00 0.290E+01 -.461E+01 0.400E-03 -.843E-04 0.250E-03
-.526E+02 0.309E+01 0.964E+01 0.574E+02 -.317E+01 -.121E+02 -.478E+01 0.736E-01 0.242E+01 0.540E-03 -.388E-04 -.866E-04
0.901E+01 -.455E+02 -.187E+02 -.104E+02 0.505E+02 0.201E+02 0.138E+01 -.501E+01 -.135E+01 0.200E-03 0.335E-03 0.810E-04
0.107E+02 -.221E+02 -.430E+02 -.111E+02 0.231E+02 0.484E+02 0.387E+00 -.946E+00 -.541E+01 0.133E-03 -.246E-04 0.527E-04
0.101E+02 -.532E+02 0.196E+02 -.105E+02 0.581E+02 -.219E+02 0.386E+00 -.491E+01 0.231E+01 0.108E-03 -.100E-04 -.143E-04
0.345E+02 0.184E+02 0.168E+02 -.388E+02 -.213E+02 -.183E+02 0.425E+01 0.291E+01 0.150E+01 0.275E-03 0.149E-03 0.297E-04
0.233E+02 -.574E+02 -.648E+02 -.219E+02 0.618E+02 0.712E+02 -.146E+01 -.445E+01 -.639E+01 0.214E-03 0.170E-03 0.278E-03
0.809E+01 0.238E+02 -.405E+02 -.119E+02 -.271E+02 0.429E+02 0.378E+01 0.334E+01 -.237E+01 -.244E-03 -.150E-03 0.166E-03
-.338E+02 -.595E+02 -.103E+02 0.373E+02 0.638E+02 0.916E+01 -.342E+01 -.428E+01 0.114E+01 0.299E-04 -.388E-04 -.214E-04
-.225E+02 -.272E+01 0.906E+02 0.214E+02 0.536E+01 -.983E+02 0.112E+01 -.266E+01 0.772E+01 0.812E-04 0.121E-03 -.401E-03
0.238E+01 0.102E+03 0.407E+02 -.253E+01 -.110E+03 -.440E+02 0.160E+00 0.758E+01 0.333E+01 -.193E-03 -.338E-03 -.661E-04
-.291E+02 0.484E+02 0.638E+02 0.317E+02 -.525E+02 -.705E+02 -.259E+01 0.408E+01 0.671E+01 -.382E-03 0.270E-03 0.381E-03
-.576E+02 0.478E+02 0.109E+02 0.639E+02 -.522E+02 -.135E+02 -.625E+01 0.440E+01 0.264E+01 -.733E-03 0.588E-03 0.626E-03
0.372E+02 -.317E+02 0.120E+02 -.411E+02 0.359E+02 -.116E+02 0.387E+01 -.415E+01 -.391E+00 -.503E-03 0.167E-03 -.901E-04
-.206E+02 -.301E+01 0.601E+02 0.237E+02 0.391E+01 -.645E+02 -.309E+01 -.902E+00 0.447E+01 -.285E-03 0.376E-04 -.240E-03
0.187E+02 0.427E+02 0.992E+01 -.216E+02 -.477E+02 -.110E+02 0.282E+01 0.497E+01 0.104E+01 -.455E-03 -.174E-03 -.267E-03
-----------------------------------------------------------------------------------------------
-.167E+02 0.156E+02 0.279E+02 -.398E-12 -.362E-12 0.275E-12 0.167E+02 -.157E+02 -.278E+02 -.809E-02 0.664E-03 -.646E-02
POSITION TOTAL-FORCE (eV/Angst)
-----------------------------------------------------------------------------------
0.64135 1.48244 17.06697 -0.017139 0.006093 0.000742
4.49239 1.47514 6.57904 0.034316 0.003692 0.003854
16.87500 4.72554 0.64172 -0.011567 -0.005447 0.010155
5.32164 4.12200 5.03912 -0.003474 0.010082 -0.000896
1.68121 1.81400 9.00203 -0.024039 -0.000125 0.009980
4.78400 1.79527 13.44403 -0.000759 0.002091 0.003368
1.60966 4.66879 10.60907 0.014897 -0.000439 -0.005062
4.59979 4.61629 11.98002 -0.029195 -0.000610 -0.000686
0.26194 7.88719 17.00401 0.002508 0.005250 -0.008470
4.32777 7.13202 6.13947 0.013228 0.002963 -0.011574
1.15819 10.23260 2.22935 0.009069 -0.009942 -0.016692
4.20324 9.48951 3.74760 -0.026913 -0.010968 0.000402
1.45964 6.44797 7.93546 -0.004231 -0.009985 -0.010006
4.91570 6.83594 14.41567 0.003961 0.005207 -0.003561
5.04478 9.97599 13.84712 -0.002591 0.010197 -0.006896
1.38550 13.25093 0.04854 -0.017990 -0.004958 -0.002867
4.47252 13.77456 7.04356 0.041347 -0.000911 0.003049
1.67986 15.88341 2.19074 0.026798 0.000971 -0.021392
4.12565 15.98164 4.64074 -0.028272 0.003115 0.000909
1.45822 14.59388 7.97457 -0.021575 -0.014776 0.013794
4.39379 13.02302 14.77667 0.010888 -0.006977 0.011552
1.58146 16.18446 10.72188 0.019179 0.009232 0.002765
4.61980 15.86252 12.36316 -0.037610 0.001517 0.013694
6.86700 2.10491 15.68310 0.003407 -0.020996 -0.010790
9.96474 1.59556 6.51613 0.026722 0.004070 -0.014022
7.05104 5.23317 2.92539 0.007591 -0.010984 0.009510
9.73902 4.05719 4.25243 -0.028873 0.012262 0.018603
7.25379 1.45414 8.41406 -0.042608 0.005710 -0.005803
9.83811 2.04147 14.59816 0.029763 0.006232 0.012041
7.49539 4.33796 9.97613 0.005595 -0.008360 -0.013933
9.77557 4.37564 12.41540 -0.014403 0.008623 0.002789
7.22699 7.00050 0.30981 -0.009690 0.003097 0.009969
9.97053 7.34610 5.63375 0.016643 -0.002293 0.004078
6.98104 9.88694 1.99865 0.046243 -0.001347 0.004633
9.73738 10.17061 3.86357 -0.033531 -0.006159 0.003391
7.63314 6.85538 7.87985 -0.016638 0.009327 0.013625
7.60930 11.17124 11.30178 0.010556 0.014668 0.001536
10.24079 11.37079 12.84051 -0.015234 -0.010931 -0.017034
7.15025 12.18751 16.59052 -0.021594 0.009793 -0.006838
10.22661 13.24452 6.56287 0.034517 0.006552 -0.009664
7.10496 15.96812 3.31254 0.111338 -0.006799 -0.009445
9.98144 15.98258 4.67279 -0.027680 -0.001321 -0.010676
7.45363 13.64043 8.60025 -0.030182 -0.001852 0.000806
10.19325 13.78571 14.74854 0.031619 0.017672 0.020003
7.32920 16.13795 10.58611 0.029529 0.003811 -0.002221
9.55572 16.50615 12.99635 -0.031932 -0.008338 -0.010101
12.29863 1.15034 16.68701 -0.006858 0.020321 0.017998
15.94767 1.31227 7.49063 0.022552 0.008853 0.001744
14.06757 3.25653 1.45268 0.010460 0.004533 0.006874
15.37351 2.99037 4.61588 -0.004241 0.005066 -0.003410
12.89464 1.79901 8.93219 -0.018158 0.000242 -0.000269
15.41718 0.15001 15.53900 0.019996 0.006692 -0.004603
12.99664 3.86776 11.40355 0.015792 0.010322 -0.003304
15.87189 5.01765 12.22898 -0.022104 -0.012577 0.007518
13.22653 8.02410 16.93175 -0.009724 -0.018281 0.013439
16.98382 5.51964 5.53554 -0.000997 -0.007412 0.003304
12.13057 10.55315 1.50876 0.039123 0.018686 0.002824
16.78566 10.30398 5.11992 0.000812 -0.011016 0.017298
15.25688 8.16992 14.35677 0.018058 0.001722 -0.008989
12.33111 12.13908 11.06569 0.024143 0.006264 0.010253
14.90076 11.26685 12.90050 -0.048367 0.012278 0.020581
12.59185 13.57128 16.79910 -0.021171 0.000813 0.007282
16.01892 13.07191 6.76067 0.013623 0.002522 0.007580
11.94709 16.26076 1.98750 0.011186 -0.012064 0.010395
14.34954 13.41499 4.27055 -0.008798 0.002470 0.014888
13.15973 13.25387 8.45840 -0.031296 0.002868 -0.003872
15.62486 13.28285 15.23581 0.032623 -0.010258 -0.002001
13.60940 15.77151 10.64968 0.039420 -0.003045 -0.015739
16.15864 15.95278 12.69895 -0.029698 -0.005989 -0.001541
1.36662 0.56995 1.55118 -0.006564 -0.000854 0.004487
0.90831 3.41910 0.01333 -0.014359 -0.003261 -0.007724
4.02348 5.43074 5.36621 -0.010218 -0.005197 0.026405
3.20707 2.14600 7.86465 -0.005268 -0.000282 -0.006165
5.79510 5.02110 10.56999 0.004482 0.003986 0.015756
17.04570 9.11772 1.21137 0.012260 -0.002471 0.021472
2.77723 9.21237 2.48771 0.007719 0.002615 -0.000621
2.81309 7.56844 7.26103 -0.009271 -0.011769 -0.002800
17.12073 8.39226 9.14039 0.014558 0.008042 -0.016792
3.95737 11.55754 13.54700 -0.002418 0.001763 -0.004453
6.41679 10.12199 12.42883 -0.000280 -0.002804 0.007626
16.91667 8.50786 15.23590 0.004514 -0.010931 -0.002044
1.45079 12.03039 1.55325 -0.011930 0.005825 0.004434
4.79111 14.80695 13.98927 -0.011819 0.010933 -0.000990
3.11851 15.33224 11.36281 -0.000451 -0.003411 -0.001712
3.00963 12.98271 16.24231 0.007099 -0.011805 -0.011201
10.48077 5.76092 4.69278 -0.017881 0.004241 -0.006407
11.49634 4.95810 11.70356 0.017722 -0.009782 -0.004113
8.52815 2.92203 15.57891 -0.006856 -0.001861 -0.016528
10.14661 11.45881 5.54273 -0.015065 0.001151 0.005452
5.80545 7.27862 7.38588 0.002258 -0.010696 0.003526
6.47163 6.75145 15.62050 0.001586 0.006432 0.004873
6.87590 12.26208 9.84848 -0.002324 0.012519 0.006250
8.78763 12.88216 15.52932 -0.002964 -0.008588 0.001091
15.83836 1.43916 5.57722 0.012461 -0.000103 0.002371
15.29234 2.54504 2.70005 0.001801 0.006297 -0.008502
14.65477 2.32082 8.39059 0.012036 -0.000607 -0.010218
11.64172 2.01777 7.39505 0.003196 -0.011987 -0.002255
12.68801 0.12914 9.88208 0.002795 0.011962 0.019517
15.37252 6.33526 13.64011 -0.007937 0.000016 -0.010958
13.54286 0.36976 15.51500 0.006251 -0.007237 -0.005217
11.75265 6.99078 7.66743 -0.010272 -0.014231 -0.017801
14.65594 9.39899 13.02328 0.000777 -0.006734 -0.002319
11.79544 11.93530 0.23323 -0.004091 0.008963 0.004935
15.58533 14.27001 5.41688 0.002665 0.012918 -0.012171
12.64638 14.64791 1.25227 -0.005262 -0.010784 -0.000282
16.37303 14.38560 13.79122 -0.009386 -0.015186 -0.005050
6.79853 4.16499 6.13555 0.001796 0.001880 0.016459
3.44491 2.11601 14.68046 0.027091 0.002709 -0.002494
3.40450 6.39628 15.41264 0.018265 0.000549 0.009615
4.68714 9.80111 15.71244 0.001827 0.000711 -0.005158
1.37445 15.81630 6.57847 0.003926 -0.014559 -0.009023
7.09029 6.82713 3.84182 0.022254 -0.008629 0.002168
7.62052 10.48074 15.85129 -0.014065 -0.006546 -0.005480
7.41568 15.85104 1.53021 -0.003022 -0.008212 0.012163
15.55418 16.72327 8.03631 0.017619 -0.006767 -0.006102
13.07565 4.75123 1.82538 -0.010578 -0.032291 0.011530
15.87263 16.00166 16.79174 0.004928 0.003411 -0.001616
13.32425 2.60452 12.73840 0.010286 -0.003214 -0.008380
0.55110 6.59113 4.23809 0.027803 -0.021228 0.011088
15.18819 9.39311 4.84073 0.005998 -0.010691 0.026259
11.02969 13.47149 10.75179 0.001210 0.024518 0.018750
15.23414 13.01959 2.66727 0.013527 0.020995 0.006860
12.82618 15.26773 12.27055 0.000462 0.007757 0.000753
4.40762 11.95419 6.74240 0.034190 0.004239 -0.008775
8.12717 8.20997 9.04305 -0.025285 0.001863 0.019400
13.25117 17.02627 3.08165 0.016692 -0.000739 -0.017341
13.74871 3.77570 5.08612 0.009636 0.003602 0.000933
11.37574 6.90316 15.32977 0.013663 0.004911 -0.014594
4.65798 2.62552 5.40231 -0.016923 -0.005905 0.009629
5.77637 4.27605 3.43335 -0.003965 0.007172 -0.011141
0.34428 1.70088 8.04675 -0.014429 -0.002131 -0.009856
1.80158 0.52099 10.02585 -0.005940 0.007338 -0.003074
4.75125 3.01555 12.34425 -0.001044 0.001513 -0.000393
1.50898 3.14567 9.98797 0.005100 -0.005927 -0.008278
4.95529 5.61734 13.24761 0.008110 -0.004461 -0.008835
2.96500 4.81110 11.54606 0.017273 0.004567 0.008814
16.29009 1.39877 16.27575 0.004156 -0.006470 -0.002627
16.82514 6.26804 0.05627 -0.000203 -0.004670 0.001715
4.31863 8.27312 4.89423 0.003469 -0.002966 0.005114
5.63245 9.69440 2.96079 -0.002945 -0.005278 0.001791
0.94993 5.35657 6.79632 -0.002319 0.008300 -0.002894
1.85227 5.69280 9.33325 -0.006040 0.004074 0.012520
4.75647 8.28816 13.57923 0.001614 0.000011 0.000583
0.07735 7.35489 8.20120 0.016260 -0.006721 -0.013117
4.28078 14.65741 5.60859 -0.003739 0.011545 -0.010344
1.65949 14.75275 0.95020 0.003797 -0.001782 0.001100
4.07933 0.13628 5.63680 -0.003393 -0.015050 -0.018989
5.62187 16.05850 3.83463 -0.080914 0.001170 0.036792
3.00963 15.90857 3.37722 0.021349 -0.000427 0.009984
3.08268 14.09549 7.94867 -0.023592 0.013852 0.014584
0.23052 13.47309 7.69724 0.015201 0.007586 0.003439
1.10924 15.18647 9.46972 0.002166 -0.003960 -0.016988
4.55345 0.32136 12.75872 -0.002114 0.004834 -0.000089
5.90998 15.72280 11.29914 0.008174 0.003714 -0.017896
16.98661 13.16129 16.30456 0.003409 0.006770 0.007510
9.65925 2.88620 5.47659 -0.007593 -0.000318 -0.001789
8.38972 4.29300 3.31734 -0.019037 0.003399 0.000306
8.63107 1.34847 7.47120 -0.007183 -0.004887 0.011405
5.92565 1.23575 7.41076 -0.002668 0.005193 -0.005433
7.23017 0.30263 9.59073 0.003964 -0.000951 -0.001782
10.15410 2.86977 13.21216 0.004562 -0.003298 -0.005746
7.20254 2.90265 9.16138 0.005178 0.001095 -0.002479
9.15168 5.39107 13.44079 0.016495 -0.002874 -0.005605
8.72438 4.11115 11.03989 0.011706 -0.005119 0.008563
6.24931 1.79367 14.18212 0.001059 0.002007 0.007289
6.87727 5.68391 1.32926 -0.009573 -0.008862 0.006783
9.84042 8.69226 4.65463 -0.000950 0.000943 -0.002283
7.03716 8.42511 1.15389 -0.009539 -0.007079 -0.003962
10.91721 10.34081 2.66837 -0.003742 -0.008229 0.002966
8.28402 10.10323 3.07470 -0.010142 0.002866 -0.017251
8.65373 6.97983 6.56440 0.004915 -0.003089 -0.014265
7.85702 5.44253 8.74751 -0.005721 -0.008686 0.010291
10.10768 10.04884 13.80388 0.008685 -0.022333 -0.004941
10.83772 12.62427 13.70510 0.012001 0.010237 0.008062
11.31391 10.95640 11.63487 -0.003359 -0.002549 0.000579
8.79023 11.87393 12.23818 -0.005852 -0.003874 -0.009548
8.85698 6.92777 0.03755 -0.009950 0.006877 0.032092
6.87598 11.19714 1.06695 -0.018505 -0.001470 -0.010598
10.26961 14.61354 5.54584 0.001340 -0.008484 0.009137
10.18816 0.20630 5.55024 0.001926 0.007269 0.006734
10.69170 16.02921 3.16056 -0.002557 0.001641 0.002155
8.30773 15.92976 4.34458 -0.016899 0.001516 -0.028000
8.82132 13.37240 7.56586 0.000204 0.003812 0.001312
6.01047 14.02545 7.72943 -0.005272 -0.003896 -0.005901
9.76314 15.09487 13.81722 -0.001334 -0.000577 -0.000476
7.81124 14.92521 9.56778 -0.003589 0.005716 0.013247
9.32255 0.52854 14.12709 -0.005450 -0.012276 -0.005818
8.39174 16.36982 11.82398 -0.001183 0.001269 0.007651
5.76861 12.65306 15.62108 0.002885 0.000059 0.008329
11.64957 0.18903 0.72790 0.002225 0.001139 -0.016873
13.23693 2.28645 0.45688 -0.011521 -0.023398 -0.016295
16.60528 4.08149 4.83063 0.000530 0.000944 0.000727
12.61846 3.04310 10.00442 -0.001783 0.000176 0.002272
0.18345 5.11083 11.39155 0.007286 -0.003463 -0.011848
14.49972 4.73253 11.30743 0.001047 -0.003123 0.005651
11.14591 1.80561 15.70251 -0.001028 -0.002856 -0.009019
14.28878 7.45112 0.94473 -0.035973 0.041846 -0.000259
12.46577 9.25660 0.51290 0.013739 -0.014865 -0.006284
16.43047 11.67498 5.98592 -0.000379 -0.000953 -0.001596
0.41631 10.55241 3.71524 0.001213 0.012829 0.003350
15.60015 6.13469 6.19114 0.006069 0.005075 -0.001101
11.21548 7.79702 6.62112 0.010266 0.002510 0.023259
15.25760 11.88579 14.40427 -0.000638 0.006978 0.007633
16.25305 11.55178 11.97549 0.015109 0.027691 -0.079612
13.64154 12.04650 12.11220 0.008192 -0.003468 0.008294
14.09693 8.35596 15.56716 -0.016557 0.001410 0.020085
12.17517 6.83251 16.52206 -0.000992 0.008198 0.002596
14.57435 12.94060 7.62627 0.007518 -0.007187 0.007274
11.72950 13.33786 7.47136 -0.004014 -0.004364 0.003027
12.95188 11.98922 9.51839 0.010553 -0.007329 -0.007847
13.50919 14.60610 9.39417 0.001294 0.012124 0.011218
15.85673 17.08504 13.91935 -0.005113 0.006316 0.005834
0.46194 16.24058 11.95952 0.012660 0.004099 -0.003998
15.13844 16.00736 11.36421 -0.014222 0.000057 -0.002820
14.17680 13.51568 16.11892 -0.007605 0.001506 0.004017
11.53300 14.18901 15.67996 -0.017392 -0.006795 -0.011333
16.92527 4.80535 2.12129 0.009512 -0.003768 -0.002857
1.60024 0.97343 16.06499 0.009641 0.008954 -0.002389
3.92751 10.74289 4.47989 0.026566 0.005530 0.003016
0.19277 8.00775 10.19152 0.010226 -0.010460 -0.000309
1.71839 7.63751 17.04389 0.003252 -0.006747 0.012275
16.08912 8.77094 9.12447 -0.003697 -0.005466 -0.006674
6.95597 0.80835 16.43447 0.008909 0.004504 -0.001508
5.89795 2.96628 16.43775 0.012993 0.006782 -0.001642
10.71567 3.42570 3.31466 0.008617 -0.006695 0.000201
8.33801 10.11183 10.56604 -0.014954 -0.011485 0.005768
7.05733 13.36277 0.39857 0.027317 -0.005720 0.005871
10.76899 16.86950 12.24955 0.012482 0.000823 0.002018
15.38316 4.13026 0.42843 0.002250 0.002529 0.000587
16.09653 3.80502 13.07055 0.011037 0.013357 -0.000596
0.59550 9.54584 6.01786 0.001404 0.018838 -0.007874
13.34873 10.76299 2.33530 -0.020232 -0.009766 0.005820
12.14370 7.65865 8.44859 0.010614 0.003722 0.014264
12.58486 6.37124 7.28948 -0.004039 0.004798 0.006979
13.16196 14.29848 4.08514 -0.001365 -0.004245 -0.013145
0.54989 15.53760 3.09430 -0.013190 -0.006355 0.002881
13.80385 12.16566 4.87601 0.001680 -0.002173 -0.009533
0.91268 1.01847 2.45728 0.001725 -0.004113 -0.006264
1.87529 3.64546 0.50131 0.009704 0.006746 0.009560
3.25546 4.96638 6.00786 0.010552 -0.000585 -0.016287
2.79176 3.00566 7.29882 -0.005374 -0.008258 0.005329
5.98187 6.10533 10.68995 0.002485 -0.008451 -0.000104
16.24019 9.78455 0.85665 -0.011495 -0.002100 -0.014997
2.41832 8.17372 2.61354 0.001235 0.001654 0.004024
2.22972 8.29960 6.66817 -0.003627 -0.004072 -0.000788
2.88365 11.35391 13.71239 -0.001725 -0.010131 -0.013636
5.78675 9.61161 11.66395 -0.004111 0.001391 0.002609
0.57210 8.18253 14.59335 -0.022021 0.000833 0.017979
0.85697 12.59222 2.29804 0.006189 0.001211 -0.015923
5.86604 14.88010 14.24516 0.012485 -0.003563 0.023668
2.69283 14.46166 11.89748 0.005851 -0.000740 0.001643
3.07115 11.88374 16.39478 -0.003528 0.010675 -0.008359
10.75057 6.10329 3.67174 -0.017199 -0.002699 0.020244
11.29270 5.49319 10.75789 -0.013700 -0.005285 0.004058
8.42762 3.90750 15.07473 0.000762 -0.003930 -0.001177
11.19650 11.12149 5.65346 0.014621 0.012280 0.014654
5.85719 8.38293 7.49850 0.000236 0.007575 -0.001350
6.79094 5.69755 15.47633 -0.002239 -0.008728 0.000929
6.41332 11.46025 9.23837 -0.010870 -0.003587 -0.019090
9.36627 11.94576 15.64204 -0.004095 0.008882 -0.003441
16.80947 1.09247 5.17525 -0.016998 0.006418 0.023372
15.21571 1.45121 2.63143 -0.001886 -0.002775 0.002392
14.56467 3.34744 7.99748 -0.010407 -0.003139 0.004202
12.33242 1.81829 6.55014 -0.015479 -0.005733 0.003803
11.94707 16.72750 9.27114 -0.018940 0.000030 -0.017969
15.88869 5.83344 14.48520 0.005709 0.000073 0.002938
13.33036 0.90557 14.57421 -0.016359 0.006250 -0.002998
13.56479 9.21369 13.02551 -0.015935 0.009794 -0.009150
11.54991 11.36071 16.46023 -0.006157 -0.007126 -0.005640
15.14677 15.18472 5.83602 -0.002038 -0.000737 -0.003530
12.40845 13.89091 2.02068 0.005579 -0.001643 -0.002949
16.66874 13.56292 13.11136 -0.012400 0.009254 0.018043
2.37350 1.04112 1.51069 0.011354 -0.006391 0.008173
1.01686 3.64935 16.09092 -0.010512 0.000639 0.011085
3.51797 5.62516 4.40578 -0.019392 0.000221 -0.023827
3.91644 2.61569 8.57645 0.005935 -0.003109 -0.000021
5.20805 4.94345 9.63426 -0.012418 -0.002145 -0.005363
16.56905 8.53506 2.02095 0.005227 0.001212 -0.006959
3.27025 9.21406 1.49472 -0.020798 0.007819 0.009491
3.19655 8.15474 8.11600 0.014726 0.002837 -0.001272
4.05372 11.91732 12.50915 -0.006083 0.003231 -0.004960
7.14387 9.32528 12.68853 -0.003807 0.007868 0.000374
17.01013 9.60820 15.31227 -0.000357 0.005158 0.008315
2.49588 12.22418 1.87153 0.015184 -0.003186 0.017448
4.30480 15.47854 14.72787 -0.000352 0.001687 -0.015408
3.56169 14.89733 10.44778 -0.015678 0.009322 0.000652
3.65724 13.36742 17.05869 0.007508 -0.004868 0.001833
11.45866 5.51600 5.15115 0.001151 0.009878 0.013695
11.76780 5.74677 12.42881 0.008649 -0.007421 -0.001848
8.86610 3.10256 16.61246 0.028731 0.001270 0.010137
9.60851 10.85582 6.30010 0.004537 -0.001140 -0.015788
5.27753 6.97414 8.31477 0.015551 -0.001109 -0.003492
7.25868 7.30508 15.07008 -0.007574 -0.004150 0.009292
6.00971 12.81936 10.26210 0.014012 0.003323 -0.020647
8.25285 12.70074 14.57001 -0.008422 -0.004052 -0.003258
15.11233 0.65303 5.29694 -0.012736 -0.007207 -0.015185
16.30927 2.77754 2.33657 -0.007411 -0.001303 0.020102
15.10646 2.46723 9.39242 0.010586 -0.000994 0.003761
11.57923 3.12518 7.40559 0.000574 0.008473 -0.000547
12.08790 0.48392 10.74500 0.008969 0.002472 -0.015969
14.32478 5.97449 13.73241 0.014431 -0.005890 -0.016575
13.18037 16.49015 15.32335 -0.008919 -0.011475 -0.013171
15.00782 9.01809 12.04689 -0.005186 0.000253 0.008869
10.81463 12.37951 0.50265 0.010096 0.007240 -0.010009
16.46555 14.55594 4.82066 -0.009677 -0.008907 0.022543
13.71940 14.84696 1.43039 0.005123 0.012317 0.014987
0.18272 14.69729 14.29255 0.006501 -0.005988 0.018141
6.47759 4.19505 7.18279 0.014382 -0.001759 -0.006189
7.36858 3.23947 5.99882 0.006500 0.001718 0.005373
7.48200 5.00235 5.96786 0.000555 -0.004771 0.004717
3.54530 3.12870 15.09774 0.000072 -0.004468 -0.004802
2.45413 2.02639 14.21430 -0.015624 -0.001897 -0.011373
3.49973 1.39946 15.51032 0.005106 -0.001663 -0.006921
3.30888 7.04404 16.29115 0.007151 0.003735 -0.013634
2.47809 6.44614 14.82317 -0.018734 0.003026 -0.016551
3.52817 5.36377 15.77744 0.004170 0.011090 -0.010889
5.12625 8.91011 16.17433 0.006424 -0.000285 0.005616
4.88371 10.65983 16.35533 0.006536 0.000515 0.000125
3.59167 9.63655 15.67382 0.019035 0.002343 -0.013974
0.37530 16.21448 6.39256 -0.004270 0.005664 -0.002595
2.05642 16.65682 6.74536 0.004615 0.005316 0.003760
1.68744 15.29322 5.66158 -0.005081 0.005787 0.007915
6.22564 7.42190 3.53489 -0.012825 0.009723 -0.002515
7.07562 6.73606 4.92972 -0.001271 0.002893 -0.000251
7.98066 7.40632 3.56142 -0.011690 -0.005078 0.004967
6.93352 9.68430 16.12842 0.011933 0.009873 0.001998
7.73942 10.50590 14.76078 0.001728 0.006156 0.008424
8.60069 10.19191 16.26071 0.019706 -0.004260 0.009974
7.23717 14.79286 1.18997 -0.007611 0.008029 0.001586
6.72782 16.49943 0.97019 -0.014810 0.005564 -0.014475
8.45743 16.11564 1.30390 -0.022939 0.000982 0.023141
16.16873 15.91501 7.64144 -0.004670 0.011564 0.002048
15.66331 16.69211 9.13046 0.000791 0.000855 0.002178
14.50441 16.49589 7.80201 -0.010727 -0.004452 -0.005754
12.24102 4.40851 2.46144 0.013280 0.004665 -0.012559
13.63446 5.53431 2.35002 0.009499 0.013069 0.006404
12.64811 5.17724 0.90553 -0.012029 0.013986 -0.016932
16.93344 15.72907 16.75438 -0.000683 -0.007168 0.005129
15.26383 15.09856 16.81717 -0.001343 -0.002724 -0.002550
15.75163 16.50917 0.60822 0.002411 -0.002550 -0.005026
14.24844 2.04096 12.54287 -0.001872 -0.002908 0.009502
13.42224 3.09342 13.71957 0.006070 -0.000575 0.006059
12.47158 1.91514 12.79225 -0.001508 -0.000258 -0.001308
0.93089 7.53836 4.64500 -0.003903 0.005024 0.003506
1.38441 6.08080 3.73238 -0.022432 0.003268 0.018137
16.93706 6.82533 3.44223 -0.019595 0.007187 -0.016019
14.56693 9.90621 4.09303 -0.015645 0.006804 -0.019048
15.35604 8.36357 4.49631 0.000184 0.010195 -0.004017
14.60804 9.33664 5.77542 0.026373 0.011291 -0.024578
11.33338 14.37614 10.22510 -0.002275 -0.002886 -0.006234
10.36842 12.91454 10.06760 -0.020449 -0.004546 -0.022413
10.41944 13.75671 11.61169 0.012229 -0.006409 -0.013689
15.69394 13.91774 2.22804 -0.011201 -0.006269 0.009955
16.04178 12.31071 2.89606 -0.002051 -0.002732 0.005790
14.59279 12.55120 1.91326 -0.013486 -0.010584 -0.017244
13.38708 14.41676 12.68145 0.007105 -0.005842 0.000444
13.00108 16.12787 12.93567 0.007956 0.004130 -0.002431
11.77039 15.03032 12.31739 -0.007857 0.002688 -0.008020
3.45629 11.64952 6.29152 -0.020779 -0.008228 -0.013261
5.22877 11.59838 6.10602 -0.016332 0.013641 0.010737
4.48854 11.45677 7.72172 -0.001349 -0.001991 0.002286
9.15634 8.06436 9.40084 0.020400 0.002687 0.011282
8.07426 9.19689 8.56227 0.002924 -0.001466 -0.003800
7.47453 8.22646 9.92823 0.017351 -0.006861 -0.024180
13.34995 16.44575 4.00803 0.009092 -0.002489 0.009982
14.22939 17.02622 2.58226 -0.015353 -0.001192 0.007722
12.97650 0.90657 3.34936 0.000151 0.001155 0.002086
13.67309 3.95038 6.16564 0.009815 -0.006555 -0.006461
13.67415 4.75771 4.59854 -0.007560 -0.000609 -0.000548
12.88876 3.16827 4.76847 -0.009574 -0.007628 -0.005589
15.80642 6.68444 6.98124 0.005400 -0.004006 -0.012112
10.99363 6.33125 8.12349 0.003119 0.003173 0.003077
0.65295 9.22764 8.95324 -0.000162 -0.000034 0.004968
16.09459 11.86360 11.06780 0.003395 -0.027730 0.081980
10.09080 9.17241 13.38438 0.002663 0.022174 0.007428
9.09166 6.43915 16.39369 -0.000430 -0.005328 -0.008436
15.03327 6.92224 0.60084 0.036959 -0.022785 -0.009247
10.63459 7.71295 15.40830 -0.008363 -0.001448 -0.001561
12.00914 7.08718 14.44505 -0.014124 -0.004030 0.004847
10.85402 5.94907 15.17440 -0.007552 -0.000933 0.000309
-----------------------------------------------------------------------------------
total drift: 0.025585 -0.041999 0.076448
--------------------------------------------------------------------------------------------------------
FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
---------------------------------------------------
free energy TOTEN = -2279.4549606806 eV
energy without entropy= -2279.4786418736 energy(sigma->0) = -2279.46285441
d Force = 0.1921576E-03[-0.345E-04, 0.419E-03] d Energy = 0.2105286E-03-0.184E-04
d Force =-0.2744859E+00[-0.275E+00,-0.274E+00] d Ewald =-0.2744861E+00 0.212E-06
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------------------------------------------------------------------------
--------------------------------------- Ionic step 8 -------------------------------------------
--------------------------------------- Iteration 8( 1) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1616
total energy-change (2. order) :-0.1893376E-02 (-0.2046452E-01)
number of electron 1204.0000381 magnetization
augmentation part 54.0275737 magnetization
free energy = -0.227945685711E+04 energy without entropy= -0.227948056897E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 8( 2) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1912
total energy-change (2. order) :-0.3803139E-03 (-0.4729332E-03)
number of electron 1204.0000381 magnetization
augmentation part 54.0276863 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 0.9190
0.9190
free energy = -0.227945723742E+04 energy without entropy= -0.227948093919E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 8( 3) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1944
total energy-change (2. order) : 0.3758587E-04 (-0.1276931E-04)
number of electron 1204.0000381 magnetization
augmentation part 54.0275337 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.4589
1.0250 1.8929
free energy = -0.227945719984E+04 energy without entropy= -0.227948090362E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 8( 4) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1896
total energy-change (2. order) : 0.1330148E-04 (-0.9460905E-05)
number of electron 1204.0000381 magnetization
augmentation part 54.0273919 magnetization
eigenvalues of (default mixing * dielectric matrix)
average eigenvalue GAMMA= 1.3052
2.1443 0.8857 0.8857
free energy = -0.227945718654E+04 energy without entropy= -0.227948089159E+04
--------------------------------------------------------------------------------------------------------
--------------------------------------- Iteration 8( 5) ---------------------------------------
--------------------------------------------
eigenvalue-minimisations : 1144
total energy-change (2. order) :-0.2517481E-08 (-0.1937344E-05)
number of electron 1204.0000381 magnetization
augmentation part 54.0273919 magnetization
free energy = -0.227945718654E+04 energy without entropy= -0.227948088976E+04
--------------------------------------------------------------------------------------------------------
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 -89.4943 2 -89.9801 3 -90.3003 4 -88.6821 5 -89.6472
6 -88.9007 7 -90.0170 8 -89.2652 9 -89.2483 10 -88.8408
11 -89.0628 12 -88.8695 13 -89.4147 14 -88.7291 15 -88.5944
16 -89.8685 17 -89.9134 18 -90.1356 19 -91.0130 20 -89.6062
21 -88.6594 22 -89.4907 23 -89.0087 24 -88.1911 25 -90.1252
26 -89.0591 27 -89.2919 28 -90.0663 29 -89.0999 30 -89.1697
31 -87.6674 32 -89.1458 33 -89.3377 34 -89.1685 35 -90.0061
36 -88.8521 37 -88.5457 38 -89.2837 39 -87.9807 40 -90.6595
41 -91.3759 42 -90.9553 43 -90.1214 44 -88.9898 45 -89.8664
46 -89.1846 47 -90.1125 48 -88.5493 49 -90.4882 50 -89.1393
51 -88.8818 52 -89.3173 53 -88.5563 54 -89.3735 55 -89.4688
56 -89.2690 57 -89.2448 58 -88.9837 59 -89.0376 60 -89.4010
61 -89.4654 62 -89.4799 63 -89.7231 64 -89.7922 65 -88.0711
66 -90.4192 67 -90.2074 68 -89.2930 69 -89.8233 70 -54.0378
71 -54.2562 72 -52.8478 73 -53.4348 74 -52.8694 75 -53.3180
76 -53.0805 77 -53.0842 78 -54.7529 79 -52.7262 80 -52.9734
81 -53.3593 82 -53.2358 83 -52.9019 84 -52.8325 85 -53.0974
86 -53.2004 87 -52.2533 88 -52.4853 89 -53.6628 90 -53.0849
91 -52.8022 92 -53.3792 93 -51.8837 94 -53.3722 95 -54.1980
96 -52.8663 97 -53.4085 98 -53.1039 99 -53.3665 100 -53.2733
101 -54.3875 102 -53.1396 103 -53.0886 104 -53.1387 105 -53.3682
106 -53.3445 107 -52.5698 108 -52.8828 109 -52.7280 110 -52.5304
111 -53.1326 112 -52.4198 113 -51.6015 114 -54.5336 115 -52.8284
116 -53.7417 117 -53.1761 118 -52.6513 119 -53.3516 120 -52.8711
121 -52.7889 122 -53.1619 123 -52.6534 124 -53.1206 125 -52.6296
126 -53.6012 127 -53.3821 128 -54.0572 129 -75.3064 130 -75.0440
131 -75.2954 132 -75.4262 133 -75.0652 134 -75.3748 135 -74.9171
136 -75.2220 137 -75.7002 138 -76.5092 139 -75.1846 140 -74.9468
141 -75.5635 142 -75.5553 143 -74.6257 144 -75.6796 145 -75.9753
146 -75.6564 147 -75.9770 148 -77.2927 149 -76.0930 150 -75.5459
151 -75.5177 152 -75.3307 153 -75.1250 154 -75.2168 155 -75.5447
156 -75.5378 157 -75.2818 158 -75.6358 159 -75.5654 160 -75.4301
161 -74.3847 162 -75.1614 163 -71.5237 164 -74.4248 165 -74.9850
166 -74.9926 167 -75.3228 168 -74.8476 169 -75.4026 170 -75.0105
171 -75.2504 172 -74.8963 173 -75.2582 174 -74.9262 175 -75.1537
176 -75.1234 177 -74.6746 178 -73.5299 179 -76.0570 180 -75.9989
181 -76.0993 182 -77.2461 183 -75.6468 184 -75.5296 185 -75.1853
186 -75.4011 187 -75.0861 188 -75.3710 189 -74.1793 190 -75.8347
191 -76.4969 192 -75.7110 193 -74.8917 194 -75.5030 195 -75.0228
196 -75.3969 197 -75.4697 198 -75.4145 199 -75.4972 200 -75.3665
201 -75.2658 202 -75.1170 203 -75.4788 204 -75.4131 205 -75.4292
206 -75.3626 207 -75.1681 208 -75.6315 209 -75.5837 210 -75.3849
211 -75.4252 212 -75.5145 213 -75.3760 214 -75.3241 215 -75.5284
216 -75.1595 217 -36.7710 218 -35.8191 219 -35.1578 220 -36.9821
221 -35.7615 222 -37.0766 223 -35.1580 224 -35.0552 225 -35.4591
226 -34.9181 227 -33.9939 228 -35.2838 229 -37.6143 230 -35.2334
231 -35.4277 232 -35.4112 233 -36.6516 234 -36.6392 235 -35.6065
236 -36.0119 237 -35.4120 238 -37.6582 239 -37.9886 240 -36.9240
241 -37.1754 242 -36.7191 243 -37.0842 244 -37.0166 245 -37.0357
246 -36.5775 247 -36.7999 248 -37.2180 249 -37.0868 250 -36.5691
251 -36.8861 252 -36.9072 253 -37.0788 254 -36.1913 255 -36.1468
256 -36.8737 257 -37.0001 258 -36.4612 259 -37.1360 260 -36.0749
261 -37.3319 262 -38.0735 263 -36.8591 264 -37.2365 265 -36.9835
266 -37.1095 267 -37.1630 268 -37.0156 269 -36.8375 270 -37.2088
271 -37.2943 272 -36.9455 273 -37.7370 274 -37.9407 275 -36.9781
276 -37.1875 277 -36.8338 278 -37.2236 279 -36.9520 280 -37.0569
281 -36.4995 282 -36.6094 283 -37.2359 284 -37.0849 285 -36.7402
286 -36.8069 287 -36.8261 288 -37.1048 289 -36.1695 290 -36.6235
291 -36.8851 292 -37.0000 293 -36.3633 294 -37.0595 295 -36.1064
296 -37.3982 297 -38.2220 298 -36.9048 299 -37.1091 300 -36.9182
301 -37.1150 302 -37.2739 303 -37.0156 304 -36.9953 305 -37.1687
306 -37.4096 307 -37.1628 308 -36.5704 309 -36.5479 310 -36.6627
311 -36.7759 312 -36.7201 313 -36.7978 314 -36.5977 315 -36.6153
316 -36.6589 317 -36.3232 318 -36.1851 319 -36.5021 320 -37.0525
321 -36.9607 322 -37.1355 323 -36.3438 324 -36.4453 325 -36.4138
326 -35.5544 327 -35.5391 328 -35.5305 329 -37.6934 330 -38.0691
331 -38.0321 332 -36.8464 333 -36.7035 334 -36.8255 335 -37.5695
336 -37.4377 337 -37.1823 338 -37.1284 339 -37.1295 340 -37.2935
341 -36.4927 342 -36.5800 343 -36.4550 344 -37.1603 345 -37.2107
346 -37.2442 347 -36.6507 348 -36.6680 349 -36.6252 350 -36.6866
351 -36.6020 352 -36.5428 353 -37.0074 354 -36.9502 355 -36.9245
356 -36.5382 357 -36.6357 358 -36.4915 359 -36.8479 360 -36.8653
361 -37.0061 362 -36.4333 363 -36.5244 364 -36.5034 365 -37.3948
366 -37.5970 367 -37.5256 368 -37.1303 369 -37.1956 370 -37.3146
371 -39.1937 372 -36.7004 373 -37.0114 374 -39.7504 375 -39.5630
376 -38.9472 377 -39.7451 378 -36.3288 379 -36.4857 380 -36.1851
E-fermi : 0.7987 XC(G=0): -7.1997 alpha+bet : -6.6573
Fermi energy: 0.7987118229
k-point 1 : 0.0000 0.0000 0.0000
band No. band energies occupation
1 -21.6482 2.00000
2 -21.2102 2.00000
3 -20.6554 2.00000
4 -20.5230 2.00000
5 -20.5030 2.00000
6 -20.3997 2.00000
7 -20.3378 2.00000
8 -20.2634 2.00000
9 -20.2441 2.00000
10 -20.2075 2.00000
11 -20.1866 2.00000
12 -20.1574 2.00000
13 -20.1438 2.00000
14 -20.0998 2.00000
15 -20.0986 2.00000
16 -20.0727 2.00000
17 -20.0172 2.00000
18 -19.9188 2.00000
19 -19.8711 2.00000
20 -19.8282 2.00000
21 -19.8008 2.00000
22 -19.7742 2.00000
23 -19.7385 2.00000
24 -19.7206 2.00000
25 -19.6965 2.00000
26 -19.6774 2.00000
27 -19.6630 2.00000
28 -19.6398 2.00000
29 -19.6212 2.00000
30 -19.6125 2.00000
31 -19.5815 2.00000
32 -19.5624 2.00000
33 -19.5117 2.00000
34 -19.4819 2.00000
35 -19.4682 2.00000
36 -19.4459 2.00000
37 -19.4219 2.00000
38 -19.3999 2.00000
39 -19.3513 2.00000
40 -19.3283 2.00000
41 -19.3072 2.00000
42 -19.2989 2.00000
43 -19.2862 2.00000
44 -19.2778 2.00000
45 -19.2317 2.00000
46 -19.2272 2.00000
47 -19.1938 2.00000
48 -19.1876 2.00000
49 -19.1793 2.00000
50 -19.1443 2.00000
51 -19.1342 2.00000
52 -19.1218 2.00000
53 -19.1062 2.00000
54 -19.0849 2.00000
55 -19.0658 2.00000
56 -19.0480 2.00000
57 -19.0325 2.00000
58 -19.0216 2.00000
59 -19.0083 2.00000
60 -18.9812 2.00000
61 -18.9647 2.00000
62 -18.9518 2.00000
63 -18.9450 2.00000
64 -18.9374 2.00000
65 -18.9030 2.00000
66 -18.8623 2.00000
67 -18.8592 2.00000
68 -18.8527 2.00000
69 -18.8499 2.00000
70 -18.7926 2.00000
71 -18.7894 2.00000
72 -18.7767 2.00000
73 -18.7656 2.00000
74 -18.7310 2.00000
75 -18.6991 2.00000
76 -18.6625 2.00000
77 -18.6465 2.00000
78 -18.6284 2.00000
79 -18.6109 2.00000
80 -18.5783 2.00000
81 -18.4868 2.00000
82 -18.3671 2.00000
83 -18.3369 2.00000
84 -18.3020 2.00000
85 -18.0570 2.00000
86 -17.9722 2.00000
87 -17.1829 2.00000
88 -15.1401 2.00000
89 -13.6176 2.00000
90 -13.5525 2.00000
91 -13.2328 2.00000
92 -13.0478 2.00000
93 -12.9483 2.00000
94 -12.8502 2.00000
95 -12.7735 2.00000
96 -12.7405 2.00000
97 -12.7336 2.00000
98 -12.6734 2.00000
99 -12.6249 2.00000
100 -12.5634 2.00000
101 -12.5229 2.00000
102 -12.4855 2.00000
103 -12.4612 2.00000
104 -12.4195 2.00000
105 -12.4000 2.00000
106 -12.3701 2.00000
107 -12.3409 2.00000
108 -12.3110 2.00000
109 -12.2871 2.00000
110 -12.2687 2.00000
111 -12.2295 2.00000
112 -12.2206 2.00000
113 -12.1959 2.00000
114 -12.1469 2.00000
115 -12.1390 2.00000
116 -12.1066 2.00000
117 -12.1040 2.00000
118 -12.0640 2.00000
119 -12.0457 2.00000
120 -11.9974 2.00000
121 -11.9799 2.00000
122 -11.9444 2.00000
123 -11.9157 2.00000
124 -11.9134 2.00000
125 -11.8857 2.00000
126 -11.8666 2.00000
127 -11.8442 2.00000
128 -11.8308 2.00000
129 -11.8271 2.00000
130 -11.7855 2.00000
131 -11.7601 2.00000
132 -11.7335 2.00000
133 -11.7212 2.00000
134 -11.6784 2.00000
135 -11.6178 2.00000
136 -11.6026 2.00000
137 -11.5923 2.00000
138 -11.5762 2.00000
139 -11.5200 2.00000
140 -11.5135 2.00000
141 -11.4444 2.00000
142 -11.4106 2.00000
143 -11.3927 2.00000
144 -11.3281 2.00000
145 -11.1669 2.00000
146 -11.0524 2.00000
147 -11.0491 2.00000
148 -10.6307 2.00000
149 -10.4850 2.00000
150 -10.3830 2.00000
151 -10.1414 2.00000
152 -10.0937 2.00000
153 -10.0597 2.00000
154 -9.8781 2.00000
155 -9.8285 2.00000
156 -9.8125 2.00000
157 -9.7736 2.00000
158 -9.6473 2.00000
159 -9.5931 2.00000
160 -9.4837 2.00000
161 -9.4718 2.00000
162 -9.3978 2.00000
163 -9.3750 2.00000
164 -9.3353 2.00000
165 -9.3027 2.00000
166 -9.1958 2.00000
167 -9.1796 2.00000
168 -9.1589 2.00000
169 -9.0755 2.00000
170 -8.9837 2.00000
171 -8.9670 2.00000
172 -8.9195 2.00000
173 -8.8776 2.00000
174 -8.8318 2.00000
175 -8.7995 2.00000
176 -8.7289 2.00000
177 -8.6920 2.00000
178 -8.6466 2.00000
179 -8.5834 2.00000
180 -8.4475 2.00000
181 -8.4001 2.00000
182 -8.3265 2.00000
183 -8.2750 2.00000
184 -8.2154 2.00000
185 -8.1848 2.00000
186 -8.1652 2.00000
187 -8.0943 2.00000
188 -8.0780 2.00000
189 -8.0271 2.00000
190 -7.9753 2.00000
191 -7.9575 2.00000
192 -7.9117 2.00000
193 -7.8361 2.00000
194 -7.7773 2.00000
195 -7.7346 2.00000
196 -7.6968 2.00000
197 -7.6599 2.00000
198 -7.6280 2.00000
199 -7.5879 2.00000
200 -7.5653 2.00000
201 -7.5370 2.00000
202 -7.5108 2.00000
203 -7.4765 2.00000
204 -7.4310 2.00000
205 -7.4063 2.00000
206 -7.3343 2.00000
207 -7.3321 2.00000
208 -7.2847 2.00000
209 -7.2614 2.00000
210 -7.2407 2.00000
211 -7.2001 2.00000
212 -7.1810 2.00000
213 -7.1417 2.00000
214 -7.1201 2.00000
215 -7.0843 2.00000
216 -7.0460 2.00000
217 -7.0209 2.00000
218 -6.9828 2.00000
219 -6.9574 2.00000
220 -6.9213 2.00000
221 -6.8820 2.00000
222 -6.8079 2.00000
223 -6.7804 2.00000
224 -6.7428 2.00000
225 -6.7014 2.00000
226 -6.6866 2.00000
227 -6.6803 2.00000
228 -6.6599 2.00000
229 -6.6451 2.00000
230 -6.5989 2.00000
231 -6.5852 2.00000
232 -6.5266 2.00000
233 -6.4962 2.00000
234 -6.4788 2.00000
235 -6.3944 2.00000
236 -6.3633 2.00000
237 -6.3213 2.00000
238 -6.2971 2.00000
239 -6.2176 2.00000
240 -6.1808 2.00000
241 -6.1533 2.00000
242 -6.1205 2.00000
243 -6.0950 2.00000
244 -6.0699 2.00000
245 -6.0429 2.00000
246 -6.0322 2.00000
247 -6.0045 2.00000
248 -5.9959 2.00000
249 -5.9556 2.00000
250 -5.9034 2.00000
251 -5.8796 2.00000
252 -5.8478 2.00000
253 -5.8201 2.00000
254 -5.7790 2.00000
255 -5.7707 2.00000
256 -5.7523 2.00000
257 -5.7395 2.00000
258 -5.7285 2.00000
259 -5.7121 2.00000
260 -5.7049 2.00000
261 -5.6855 2.00000
262 -5.6562 2.00000
263 -5.6371 2.00000
264 -5.6198 2.00000
265 -5.6026 2.00000
266 -5.5780 2.00000
267 -5.5682 2.00000
268 -5.5384 2.00000
269 -5.5214 2.00000
270 -5.5156 2.00000
271 -5.4917 2.00000
272 -5.4762 2.00000
273 -5.4528 2.00000
274 -5.4438 2.00000
275 -5.4325 2.00000
276 -5.4256 2.00000
277 -5.4034 2.00000
278 -5.3974 2.00000
279 -5.3813 2.00000
280 -5.3542 2.00000
281 -5.3438 2.00000
282 -5.3139 2.00000
283 -5.2970 2.00000
284 -5.2843 2.00000
285 -5.2779 2.00000
286 -5.2658 2.00000
287 -5.2526 2.00000
288 -5.2370 2.00000
289 -5.2263 2.00000
290 -5.2127 2.00000
291 -5.1997 2.00000
292 -5.1837 2.00000
293 -5.1827 2.00000
294 -5.1703 2.00000
295 -5.1503 2.00000
296 -5.1451 2.00000
297 -5.1370 2.00000
298 -5.1162 2.00000
299 -5.0941 2.00000
300 -5.0864 2.00000
301 -5.0740 2.00000
302 -5.0687 2.00000
303 -5.0526 2.00000
304 -5.0442 2.00000
305 -5.0251 2.00000
306 -5.0147 2.00000
307 -4.9981 2.00000
308 -4.9908 2.00000
309 -4.9760 2.00000
310 -4.9554 2.00000
311 -4.9449 2.00000
312 -4.9259 2.00000
313 -4.9231 2.00000
314 -4.9131 2.00000
315 -4.8902 2.00000
316 -4.8831 2.00000
317 -4.8742 2.00000
318 -4.8612 2.00000
319 -4.8498 2.00000
320 -4.8345 2.00000
321 -4.8263 2.00000
322 -4.8148 2.00000
323 -4.8065 2.00000
324 -4.8040 2.00000
325 -4.7869 2.00000
326 -4.7735 2.00000
327 -4.7629 2.00000
328 -4.7454 2.00000
329 -4.7410 2.00000
330 -4.7274 2.00000
331 -4.7165 2.00000
332 -4.7144 2.00000
333 -4.7022 2.00000
334 -4.6845 2.00000
335 -4.6770 2.00000
336 -4.6662 2.00000
337 -4.6622 2.00000
338 -4.6352 2.00000
339 -4.6208 2.00000
340 -4.6162 2.00000
341 -4.6047 2.00000
342 -4.5905 2.00000
343 -4.5724 2.00000
344 -4.5545 2.00000
345 -4.5484 2.00000
346 -4.5365 2.00000
347 -4.5182 2.00000
348 -4.5055 2.00000
349 -4.4857 2.00000
350 -4.4764 2.00000
351 -4.4671 2.00000
352 -4.4555 2.00000
353 -4.4430 2.00000
354 -4.4381 2.00000
355 -4.4303 2.00000
356 -4.4140 2.00000
357 -4.4029 2.00000
358 -4.3873 2.00000
359 -4.3771 2.00000
360 -4.3682 2.00000
361 -4.3568 2.00000
362 -4.3413 2.00000
363 -4.3301 2.00000
364 -4.3165 2.00000
365 -4.3041 2.00000
366 -4.2785 2.00000
367 -4.2702 2.00000
368 -4.2572 2.00000
369 -4.2356 2.00000
370 -4.2285 2.00000
371 -4.2207 2.00000
372 -4.2064 2.00000
373 -4.1927 2.00000
374 -4.1757 2.00000
375 -4.1547 2.00000
376 -4.1447 2.00000
377 -4.1369 2.00000
378 -4.1257 2.00000
379 -4.1141 2.00000
380 -4.1066 2.00000
381 -4.1022 2.00000
382 -4.0687 2.00000
383 -4.0585 2.00000
384 -4.0499 2.00000
385 -4.0383 2.00000
386 -4.0248 2.00000
387 -4.0185 2.00000
388 -4.0056 2.00000
389 -3.9819 2.00000
390 -3.9784 2.00000
391 -3.9694 2.00000
392 -3.9523 2.00000
393 -3.9358 2.00000
394 -3.9193 2.00000
395 -3.8996 2.00000
396 -3.8940 2.00000
397 -3.8848 2.00000
398 -3.8684 2.00000
399 -3.8641 2.00000
400 -3.8472 2.00000
401 -3.8400 2.00000
402 -3.8285 2.00000
403 -3.8018 2.00000
404 -3.7959 2.00000
405 -3.7710 2.00000
406 -3.7703 2.00000
407 -3.7561 2.00000
408 -3.7361 2.00000
409 -3.7170 2.00000
410 -3.7054 2.00000
411 -3.7020 2.00000
412 -3.6939 2.00000
413 -3.6856 2.00000
414 -3.6751 2.00000
415 -3.6674 2.00000
416 -3.6469 2.00000
417 -3.6367 2.00000
418 -3.6346 2.00000
419 -3.6210 2.00000
420 -3.6058 2.00000
421 -3.5969 2.00000
422 -3.5884 2.00000
423 -3.5670 2.00000
424 -3.5491 2.00000
425 -3.5302 2.00000
426 -3.5167 2.00000
427 -3.5129 2.00000
428 -3.5046 2.00000
429 -3.4793 2.00000
430 -3.4640 2.00000
431 -3.4577 2.00000
432 -3.4433 2.00000
433 -3.4294 2.00000
434 -3.4237 2.00000
435 -3.4115 2.00000
436 -3.3996 2.00000
437 -3.3976 2.00000
438 -3.3661 2.00000
439 -3.3627 2.00000
440 -3.3538 2.00000
441 -3.3299 2.00000
442 -3.3190 2.00000
443 -3.3129 2.00000
444 -3.2839 2.00000
445 -3.2625 2.00000
446 -3.2622 2.00000
447 -3.2494 2.00000
448 -3.2281 2.00000
449 -3.2225 2.00000
450 -3.2179 2.00000
451 -3.2059 2.00000
452 -3.1867 2.00000
453 -3.1786 2.00000
454 -3.1752 2.00000
455 -3.1491 2.00000
456 -3.1462 2.00000
457 -3.1394 2.00000
458 -3.1217 2.00000
459 -3.1106 2.00000
460 -3.0961 2.00000
461 -3.0792 2.00000
462 -3.0709 2.00000
463 -3.0635 2.00000
464 -3.0613 2.00000
465 -3.0528 2.00000
466 -3.0388 2.00000
467 -3.0260 2.00000
468 -3.0216 2.00000
469 -3.0203 2.00000
470 -2.9965 2.00000
471 -2.9946 2.00000
472 -2.9806 2.00000
473 -2.9644 2.00000
474 -2.9522 2.00000
475 -2.9370 2.00000
476 -2.9153 2.00000
477 -2.9106 2.00000
478 -2.8916 2.00000
479 -2.8844 2.00000
480 -2.8795 2.00000
481 -2.8702 2.00000
482 -2.8564 2.00000
483 -2.8262 2.00000
484 -2.8228 2.00000
485 -2.8179 2.00000
486 -2.8005 2.00000
487 -2.7810 2.00000
488 -2.7615 2.00000
489 -2.7591 2.00000
490 -2.7548 2.00000
491 -2.7463 2.00000
492 -2.7288 2.00000
493 -2.7209 2.00000
494 -2.7067 2.00000
495 -2.7058 2.00000
496 -2.6921 2.00000
497 -2.6867 2.00000
498 -2.6695 2.00000
499 -2.6654 2.00000
500 -2.6497 2.00000
501 -2.6408 2.00000
502 -2.6189 2.00000
503 -2.6031 2.00000
504 -2.6004 2.00000
505 -2.5830 2.00000
506 -2.5712 2.00000
507 -2.5644 2.00000
508 -2.5402 2.00000
509 -2.5321 2.00000
510 -2.5275 2.00000
511 -2.5220 2.00000
512 -2.5039 2.00000
513 -2.4951 2.00000
514 -2.4824 2.00000
515 -2.4716 2.00000
516 -2.4567 2.00000
517 -2.4442 2.00000
518 -2.4228 2.00000
519 -2.4119 2.00000
520 -2.4069 2.00000
521 -2.3962 2.00000
522 -2.3879 2.00000
523 -2.3759 2.00000
524 -2.3675 2.00000
525 -2.3539 2.00000
526 -2.3446 2.00000
527 -2.3363 2.00000
528 -2.3290 2.00000
529 -2.3078 2.00000
530 -2.3016 2.00000
531 -2.2909 2.00000
532 -2.2776 2.00000
533 -2.2669 2.00000
534 -2.2472 2.00000
535 -2.2404 2.00000
536 -2.2236 2.00000
537 -2.2193 2.00000
538 -2.2109 2.00000
539 -2.1974 2.00000
540 -2.1941 2.00000
541 -2.1786 2.00000
542 -2.1657 2.00000
543 -2.1435 2.00000
544 -2.1358 2.00000
545 -2.1159 2.00000
546 -2.1097 2.00000
547 -2.0960 2.00000
548 -2.0845 2.00000
549 -2.0656 2.00000
550 -2.0506 2.00000
551 -2.0451 2.00000
552 -2.0295 2.00000
553 -2.0197 2.00000
554 -2.0028 2.00000
555 -1.9890 2.00000
556 -1.9649 2.00000
557 -1.9505 2.00000
558 -1.9352 2.00000
559 -1.9151 2.00000
560 -1.9069 2.00000
561 -1.8899 2.00000
562 -1.8692 2.00000
563 -1.8474 2.00000
564 -1.8346 2.00000
565 -1.8114 2.00000
566 -1.8053 2.00000
567 -1.7776 2.00000
568 -1.7723 2.00000
569 -1.7458 2.00000
570 -1.7296 2.00000
571 -1.6883 2.00000
572 -1.6828 2.00000
573 -1.6619 2.00000
574 -1.6489 2.00000
575 -1.6186 2.00000
576 -1.6103 2.00000
577 -1.5799 2.00000
578 -1.5640 2.00000
579 -1.5433 2.00000
580 -1.5345 2.00000
581 -1.5198 2.00000
582 -1.4809 2.00000
583 -1.4449 2.00000
584 -1.4217 2.00000
585 -1.4035 2.00000
586 -1.3717 2.00000
587 -1.3393 2.00000
588 -1.3230 2.00000
589 -1.3019 2.00000
590 -1.2595 2.00000
591 -1.2338 2.00000
592 -1.1931 2.00000
593 -1.1661 2.00000
594 -1.0939 2.00000
595 -1.0598 2.00000
596 -0.9709 2.00000
597 -0.8640 2.00000
598 -0.6287 2.00000
599 -0.1758 2.00000
600 0.2498 2.00072
601 0.6197 2.02102
602 0.6394 1.97826
603 1.7698 -0.00000
604 2.1133 -0.00000
605 2.4388 -0.00000
606 3.0950 -0.00000
607 3.1349 -0.00000
608 3.2783 -0.00000
609 3.4473 -0.00000
610 3.7456 -0.00000
611 3.8475 -0.00000
612 3.9153 -0.00000
613 3.9899 -0.00000
614 4.0085 -0.00000
615 4.0913 -0.00000
616 4.1446 -0.00000
617 4.1782 -0.00000
618 4.2758 -0.00000
619 4.2934 -0.00000
620 4.3250 -0.00000
621 4.3729 -0.00000
622 4.4168 -0.00000
623 4.4719 -0.00000
624 4.4763 -0.00000
625 4.5115 -0.00000
626 4.5243 -0.00000
627 4.5844 -0.00000
628 4.6252 -0.00000
629 4.6413 -0.00000
630 4.6558 -0.00000
631 4.6729 -0.00000
632 4.7015 -0.00000
633 4.7302 -0.00000
634 4.7416 -0.00000
635 4.7703 -0.00000
636 4.7970 -0.00000
637 4.8054 -0.00000
638 4.8364 -0.00000
639 4.8607 -0.00000
640 4.8778 -0.00000
641 4.9117 -0.00000
642 4.9277 -0.00000
643 4.9666 -0.00000
644 4.9904 -0.00000
645 5.0247 -0.00000
646 5.0339 -0.00000
647 5.0534 -0.00000
648 5.0629 -0.00000
649 5.1066 -0.00000
650 5.1315 -0.00000
651 5.1408 -0.00000
652 5.1537 -0.00000
653 5.1588 -0.00000
654 5.2043 -0.00000
655 5.2122 -0.00000
656 5.2303 -0.00000
657 5.2407 -0.00000
658 5.2780 -0.00000
659 5.2968 -0.00000
660 5.3143 -0.00000
661 5.3274 -0.00000
662 5.3355 -0.00000
663 5.3635 -0.00000
664 5.3891 -0.00000
665 5.4115 -0.00000
666 5.4249 -0.00000
667 5.4362 -0.00000
668 5.4472 -0.00000
669 5.4479 -0.00000
670 5.4773 -0.00000
671 5.5136 -0.00000
672 5.5193 -0.00000
673 5.5292 -0.00000
674 5.5586 -0.00000
675 5.5643 -0.00000
676 5.5934 -0.00000
677 5.6073 -0.00000
678 5.6344 -0.00000
679 5.6376 -0.00000
680 5.6592 -0.00000
681 5.6706 -0.00000
682 5.6793 -0.00000
683 5.7103 -0.00000
684 5.7132 -0.00000
685 5.7271 -0.00000
686 5.7429 -0.00000
687 5.7590 -0.00000
688 5.7692 -0.00000
689 5.8023 -0.00000
690 5.8072 -0.00000
691 5.8312 -0.00000
692 5.8416 -0.00000
693 5.8536 -0.00000
694 5.8729 -0.00000
695 5.8807 -0.00000
696 5.9031 -0.00000
697 5.9137 -0.00000
698 5.9374 -0.00000
699 5.9526 -0.00000
700 5.9550 -0.00000
701 5.9606 -0.00000
702 6.0028 -0.00000
703 6.0148 -0.00000
704 6.0300 -0.00000
705 6.0491 -0.00000
706 6.0556 -0.00000
707 6.0633 -0.00000
708 6.0877 -0.00000
709 6.0944 -0.00000
710 6.1024 -0.00000
711 6.1246 0.00000
712 6.1373 0.00000
713 6.1510 0.00000
714 6.1709 0.00000
715 6.1778 0.00000
716 6.1972 0.00000
717 6.2008 0.00000
718 6.2162 0.00000
719 6.2300 0.00000
720 6.2630 0.00000
721 6.2644 0.00000
722 6.2812 0.00000
723 6.3016 0.00000
724 6.3028 0.00000
725 6.3221 0.00000
726 6.3468 0.00000
727 6.3590 0.00000
728 6.3679 0.00000
729 6.3787 0.00000
730 6.3870 0.00000
731 6.4134 0.00000
732 6.4274 0.00000
733 6.4434 0.00000
734 6.4537 0.00000
735 6.4635 0.00000
736 6.4816 0.00000
737 6.4928 0.00000
738 6.5013 0.00000
739 6.5170 0.00000
740 6.5397 0.00000
741 6.5464 0.00000
742 6.5608 0.00000
743 6.5800 0.00000
744 6.5937 0.00000
745 6.6157 0.00000
746 6.6210 0.00000
747 6.6271 0.00000
748 6.6357 0.00000
749 6.6534 0.00000
750 6.6780 0.00000
751 6.6782 0.00000
752 6.6980 0.00000
753 6.7073 0.00000
754 6.7292 0.00000
755 6.7411 0.00000
756 6.7517 0.00000
757 6.7714 0.00000
758 6.7825 0.00000
759 6.7997 0.00000
760 6.8111 0.00000
761 6.8157 0.00000
762 6.8410 0.00000
763 6.8503 0.00000
764 6.8619 0.00000
765 6.8726 0.00000
766 6.8785 0.00000
767 6.9004 0.00000
768 6.9072 0.00000
769 6.9376 0.00000
770 6.9481 0.00000
771 6.9629 0.00000
772 6.9728 0.00000
773 6.9785 0.00000
774 6.9948 0.00000
775 7.0160 0.00000
776 7.0224 0.00000
777 7.0391 0.00000
778 7.0496 0.00000
779 7.0668 0.00000
780 7.0889 0.00000
781 7.0910 0.00000
782 7.1119 0.00000
783 7.1172 0.00000
784 7.1410 0.00000
785 7.1436 0.00000
786 7.1519 0.00000
787 7.1608 0.00000
788 7.1908 0.00000
789 7.1965 0.00000
790 7.2002 0.00000
791 7.2092 0.00000
792 7.2357 0.00000
793 7.2450 0.00000
794 7.2469 0.00000
795 7.2663 0.00000
796 7.2879 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
19.122 26.684 0.002 0.011 -0.014 0.004 0.021 -0.026
26.684 37.240 0.003 0.016 -0.019 0.006 0.030 -0.036
0.002 0.003 4.273 0.001 0.002 7.968 0.001 0.003
0.011 0.016 0.001 4.273 0.000 0.001 7.969 0.001
-0.014 -0.019 0.002 0.000 4.277 0.003 0.001 7.975
0.004 0.006 7.968 0.001 0.003 14.870 0.002 0.006
0.021 0.030 0.001 7.969 0.001 0.002 14.870 0.001
-0.026 -0.036 0.003 0.001 7.975 0.006 0.001 14.882
total augmentation occupancy for first ion, spin component: 1
7.480 -3.324 0.121 -0.986 -1.049 -0.049 0.387 0.452
-3.324 1.622 -0.109 0.559 0.850 0.039 -0.208 -0.330
0.121 -0.109 3.290 0.097 -0.265 -0.839 -0.019 0.059
-0.986 0.559 0.097 3.620 0.605 -0.019 -0.935 -0.296
-1.049 0.850 -0.265 0.605 4.399 0.059 -0.292 -1.326
-0.049 0.039 -0.839 -0.019 0.059 0.223 0.003 -0.012
0.387 -0.208 -0.019 -0.935 -0.292 0.003 0.257 0.123
0.452 -0.330 0.059 -0.296 -1.326 -0.012 0.123 0.418
------------------------ aborting loop because EDIFF is reached ----------------------------------------