vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex
MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
6685
This VASP executable licensed from Materials Design, Inc.
executed on Lin64 date 2025.09.18 01:58:43
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on NCORE= 1 cores, 4 groups
--------------------------------------------------------------------------------------------------------
INCAR:
SYSTEM = No title
PREC = Normal
ENCUT = 400.000
IBRION = -1
NSW = 0
ISIF = 2
NELMIN = 2
EDIFF = 1.0e-05
EDIFFG = -0.02
VOSKOWN = 1
NBLOCK = 1
NWRITE = 1
NELM = 200
ALGO = Normal (blocked Davidson)
ISPIN = 1
INIWAV = 1
ISTART = 0
ICHARG = 2
LWAVE = .FALSE.
LCHARG = .FALSE.
ADDGRID = .FALSE.
ISMEAR = 1
SIGMA = 0.2
LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 1.11 0.73 0.77 0.32
NPAR = 4
POTCAR: PAW_PBE Si 05Jan2001
POTCAR: PAW_PBE O 08Apr2002
POTCAR: PAW_PBE C 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 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 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 H 15Jun2001
local pseudopotential read in
atomic valenz-charges read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 0 read in
real space projection operators read in
non local Contribution for L= 1 read in
real space projection operators read in
PAW grid and wavefunctions read in
number of l-projection operators is LMAX = 3
number of lm-projection operators is LMMAX = 5
Optimization of the real space projectors (new method)
maximal supplied QI-value = 19.84
optimisation between [QCUT,QGAM] = [ 10.12, 20.44] = [ 28.68,116.96] Ry
Optimized for a Real-space Cutoff 1.23 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 7 10.119 159.560 0.56E-04 0.22E-03 0.45E-07
0 7 10.119 115.863 0.56E-04 0.21E-03 0.45E-07
1 7 10.119 88.339 0.34E-03 0.49E-03 0.11E-06
1 7 10.119 48.592 0.33E-03 0.48E-03 0.11E-06
Optimization of the real space projectors (new method)
maximal supplied QI-value = 24.76
optimisation between [QCUT,QGAM] = [ 10.15, 20.30] = [ 28.85,115.39] Ry
Optimized for a Real-space Cutoff 1.38 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 8 10.150 20.381 0.22E-03 0.32E-03 0.29E-06
0 8 10.150 15.268 0.23E-03 0.35E-03 0.30E-06
1 8 10.150 5.964 0.46E-03 0.53E-03 0.21E-06
1 8 10.150 5.382 0.38E-03 0.45E-03 0.19E-06
Optimization of the real space projectors (new method)
maximal supplied QI-value = 25.13
optimisation between [QCUT,QGAM] = [ 10.05, 20.36] = [ 28.30,116.06] Ry
Optimized for a Real-space Cutoff 1.30 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 8 10.053 115.676 0.49E-03 0.72E-03 0.18E-06
0 8 10.053 87.132 0.49E-03 0.71E-03 0.18E-06
1 7 10.053 4.429 0.32E-03 0.31E-03 0.18E-06
1 7 10.053 2.733 0.23E-03 0.19E-03 0.20E-06
Optimization of the real space projectors (new method)
maximal supplied QI-value = 34.20
optimisation between [QCUT,QGAM] = [ 9.92, 20.18] = [ 27.55,114.04] Ry
Optimized for a Real-space Cutoff 1.26 Angstroem
l n(q) QCUT max X(q) W(low)/X(q) W(high)/X(q) e(spline)
0 8 9.919 19.460 0.50E-03 0.23E-03 0.29E-06
0 8 9.919 12.209 0.48E-03 0.23E-03 0.28E-06
1 7 9.919 4.655 0.17E-03 0.75E-03 0.30E-06
PAW_PBE Si 05Jan2001 :
energy of atom 1 EATOM= -103.0669
kinetic energy error for atom= 0.0012 (will be added to EATOM!!)
PAW_PBE O 08Apr2002 :
energy of atom 2 EATOM= -432.3788
kinetic energy error for atom= 0.1156 (will be added to EATOM!!)
PAW_PBE C 08Apr2002 :
energy of atom 3 EATOM= -147.1560
kinetic energy error for atom= 0.0288 (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: No title
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 0.128 0.129 0.386- 46 1.62 37 1.62 44 1.63 33 1.63
2 0.373 0.122 0.307- 24 0.20 39 1.10 90 1.48 77 1.62 54 1.63 44 1.63 34 1.63
3 0.706 0.060 0.705-
4 0.100 0.396 0.150- 48 1.61 71 1.62 42 1.63 36 1.67
5 0.093 0.380 0.463- 37 1.62 49 1.63 72 1.63 29 1.80
6 0.351 0.369 0.229- 59 1.16 42 1.63 38 1.63 40 1.63 34 1.63 43 2.11
7 0.549 0.837 0.882-
8 0.129 0.630 0.382- 61 1.62 53 1.62 60 1.63 49 1.63
9 0.379 0.623 0.307- 28 1.31 92 1.62 38 1.62 50 1.63 60 1.63 59 1.94
10 0.058 0.860 0.211- 87 1.00 11 1.64 58 1.92 27 1.99 99 2.23
11 0.113 0.895 0.147- 32 1.61 87 1.62 58 1.63 10 1.64 52 1.67
12 0.088 0.875 0.464- 47 0.85 53 1.62 33 1.62 88 1.63 31 2.36
13 0.359 0.870 0.229- 112 0.89 99 1.00 58 1.62 56 1.63 54 1.63 50 1.63 28 2.45
14 0.134 0.061 0.828-
15 0.624 0.172 0.387- 75 1.62 77 1.62 68 1.63 64 1.63
16 0.869 0.097 0.308- 46 1.62 75 1.62 85 1.62 65 1.62
17 0.370 0.181 0.537-
18 0.596 0.368 0.149- 79 1.61 73 1.63 40 1.63 67 1.67
19 0.600 0.423 0.461- 35 1.29 41 1.62 80 1.62 68 1.63
20 0.847 0.346 0.230- 71 1.62 73 1.62 65 1.62 69 1.62
21 0.819 0.649 0.582- 111 0.84 100 2.00
22 0.632 0.677 0.385- 120 1.53 115 1.56 91 1.61 92 1.62 80 1.62 84 1.62 82 1.67 78 1.70
23 0.876 0.603 0.305- 69 1.62 91 1.62 61 1.62 81 1.62
24 0.389 0.120 0.302- 2 0.20 39 1.14 90 1.38 54 1.50 77 1.58 34 1.65 44 1.81
25 0.604 0.868 0.148- 63 1.61 56 1.63 89 1.63 83 1.66
26 0.590 0.923 0.463- 55 1.40 84 1.62 64 1.62 57 1.62 78 1.85
27 0.857 0.849 0.226- 87 1.62 89 1.62 81 1.63 85 1.63 10 1.99
28 0.271 0.670 0.280- 50 0.84 9 1.31 99 1.96 60 2.04 13 2.45
29 0.942 0.426 0.502- 72 1.03 5 1.80 66 2.05 100 2.11
30 0.945 0.392 0.018- 114 1.66 96 1.95
31 0.242 0.916 0.539- 47 1.77 12 2.36
32 0.071 0.016 0.103- 102 1.00 11 1.61
33 0.081 0.029 0.439- 47 1.59 12 1.62 1 1.63
34 0.301 0.241 0.268- 39 1.49 2 1.63 6 1.63 24 1.65
35 0.522 0.385 0.419- 19 1.29 68 1.47 41 1.61
36 0.154 0.269 0.108- 103 0.97 4 1.67
37 0.156 0.277 0.415- 1 1.62 5 1.62
38 0.418 0.490 0.268- 59 0.59 9 1.62 6 1.63
39 0.396 0.229 0.318- 2 1.10 24 1.14 77 1.25 34 1.49
40 0.465 0.309 0.184- 6 1.63 18 1.63
41 0.448 0.375 0.481- 35 1.61 19 1.62
42 0.222 0.436 0.194- 6 1.63 4 1.63
43 0.230 0.208 0.196- 6 2.11
44 0.267 0.071 0.356- 1 1.63 2 1.63 24 1.81
45 0.517 0.430 0.620- 95 1.46
46 0.014 0.145 0.336- 16 1.62 1 1.62
47 0.102 0.929 0.491- 12 0.85 33 1.59 31 1.77
48 0.050 0.521 0.110- 104 1.00 4 1.61
49 0.070 0.528 0.431- 5 1.63 8 1.63
50 0.308 0.743 0.268- 28 0.84 99 1.26 9 1.63 13 1.63
51 0.606 0.104 0.004-
52 0.165 0.763 0.107- 105 0.97 11 1.67
53 0.144 0.779 0.412- 12 1.62 8 1.62
54 0.421 0.993 0.268- 90 1.26 24 1.50 2 1.63 13 1.63
55 0.536 0.884 0.516- 57 1.21 26 1.40 76 1.47
56 0.476 0.810 0.186- 112 0.86 13 1.63 25 1.63
57 0.439 0.871 0.484- 55 1.21 26 1.62
58 0.233 0.936 0.192- 99 1.56 13 1.62 11 1.63 10 1.92
59 0.370 0.454 0.262- 38 0.59 6 1.16 9 1.94
60 0.277 0.578 0.358- 8 1.63 9 1.63 28 2.04
61 0.028 0.643 0.327- 23 1.62 8 1.62
62 0.652 0.329 0.877-
63 0.558 0.988 0.105- 106 1.00 25 1.61
64 0.575 0.081 0.442- 26 1.62 15 1.63
65 0.817 0.195 0.257- 16 1.62 20 1.62
66 0.783 0.290 0.494- 74 1.57 72 1.64 29 2.05
67 0.650 0.237 0.108- 107 0.97 18 1.67
68 0.658 0.325 0.410- 35 1.47 15 1.63 19 1.63
69 0.879 0.445 0.284- 23 1.62 20 1.62
70 0.759 0.764 0.460- 120 0.90 84 1.70
71 0.975 0.330 0.186- 20 1.62 4 1.62
72 0.946 0.327 0.487- 29 1.03 5 1.63 66 1.64
73 0.716 0.406 0.195- 20 1.62 18 1.63
74 0.647 0.204 0.492- 66 1.57
75 0.758 0.098 0.360- 15 1.62 16 1.62
76 0.550 0.004 0.553- 55 1.47
77 0.508 0.186 0.338- 39 1.25 24 1.58 15 1.62 2 1.62
78 0.571 0.738 0.448- 84 1.47 80 1.57 22 1.70 26 1.85
79 0.554 0.490 0.106- 108 1.00 18 1.61
80 0.587 0.580 0.438- 78 1.57 19 1.62 22 1.62
81 0.826 0.696 0.251- 23 1.62 27 1.63
82 0.709 0.829 0.374- 84 1.04 22 1.67
83 0.654 0.736 0.108- 109 0.97 25 1.66
84 0.648 0.831 0.411- 82 1.04 78 1.47 26 1.62 22 1.62 70 1.70
85 0.889 0.945 0.282- 16 1.62 27 1.63
86 0.943 0.985 0.685-
87 0.985 0.835 0.183- 10 1.00 27 1.62 11 1.62
88 0.936 0.829 0.486- 12 1.63
89 0.726 0.910 0.192- 27 1.62 25 1.63
90 0.481 0.017 0.315- 54 1.26 24 1.38 2 1.48
91 0.776 0.623 0.360- 22 1.61 23 1.62
92 0.520 0.682 0.334- 22 1.62 9 1.62
93 0.108 0.681 0.003- 118 1.12
94 0.132 0.152 0.648- 98 1.42
95 0.523 0.477 0.560- 45 1.46
96 0.827 0.553 0.020- 30 1.95
97 0.196 0.902 0.937-
98 0.062 0.120 0.699- 94 1.42
99 0.269 0.856 0.248- 13 1.00 50 1.26 58 1.56 28 1.96 10 2.23
100 0.979 0.629 0.529- 21 2.00 29 2.11
101 0.920 0.174 0.583-
102 0.103 0.113 0.108- 32 1.00
103 0.199 0.298 0.073- 36 0.97
104 0.096 0.613 0.110- 48 1.00
105 0.210 0.789 0.071- 52 0.97
106 0.592 0.084 0.108- 63 1.00
107 0.689 0.265 0.072- 67 0.97
108 0.592 0.584 0.109- 79 1.00
109 0.694 0.762 0.071- 83 0.97
110 0.100 0.624 0.857-
111 0.735 0.666 0.583- 21 0.84
112 0.405 0.855 0.196- 56 0.86 13 0.89
113 0.500 0.132 0.583-
114 0.029 0.539 0.027- 30 1.66
115 0.735 0.627 0.432- 120 0.74 22 1.56
116 0.140 0.180 0.928-
117 0.155 0.609 0.685-
118 0.191 0.760 0.998- 93 1.12
119 0.902 0.611 0.665-
120 0.738 0.704 0.432- 115 0.74 70 0.90 22 1.53
121 0.950 0.054 0.164-
122 0.784 0.084 0.122-
123 0.107 0.389 0.896-
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| The distance between some ions is very small. Please check the |
| nearest-neighbor list in the OUTCAR file. |
| I HOPE YOU KNOW WHAT YOU ARE DOING! |
| |
-----------------------------------------------------------------------------
LATTYP: Found a simple tetragonal cell.
ALAT = 9.7443200000
C/A-ratio = 2.4042395980
Lattice vectors:
A1 = ( 9.7443200000, 0.0000000000, 0.0000000000)
A2 = ( 0.0000000000, 9.7443200000, 0.0000000000)
A3 = ( 0.0000000000, 0.0000000000, 23.4276800000)
Analysis of symmetry for initial positions (statically):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 16 trial point group operations.
The static configuration has the point symmetry C_1 .
Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 16 trial point group operations.
The dynamic configuration has the point symmetry C_1 .
Analysis of constrained symmetry for selective dynamics:
=====================================================================
Subroutine PRICEL returns:
Original cell was already a primitive cell.
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.
Subroutine GETGRP returns: Found 1 space group operations
(whereof 1 operations were pure point group operations)
out of a pool of 16 trial point group operations.
The constrained 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 : 2224.4997
direct lattice vectors reciprocal lattice vectors
9.744320000 0.000000000 0.000000000 0.102623888 0.000000000 0.000000000
0.000000000 9.744320000 0.000000000 0.000000000 0.102623888 0.000000000
0.000000000 0.000000000 23.427680000 0.000000000 0.000000000 0.042684551
length of vectors
9.744320000 9.744320000 23.427680000 0.102623888 0.102623888 0.042684551
position of ions in fractional coordinates (direct lattice)
0.127737420 0.128592780 0.386056650
0.373406570 0.122491330 0.307192390
0.706177840 0.060072100 0.704908670
0.100116630 0.396036250 0.149717140
0.093112470 0.380490350 0.462608040
0.351155890 0.369378250 0.228670330
0.548815950 0.837484670 0.882375490
0.128542730 0.629717240 0.382014780
0.379299410 0.622787230 0.306702900
0.057565160 0.859640250 0.211102340
0.113203290 0.894550930 0.146624150
0.087974580 0.874522460 0.463604780
0.359307320 0.870281980 0.228535670
0.133980380 0.060514850 0.828288840
0.624482710 0.171728190 0.386770580
0.869153550 0.097441110 0.308242020
0.370285790 0.181204150 0.537105240
0.596353210 0.367538560 0.148579200
0.599706270 0.423217980 0.461026400
0.846588920 0.346086540 0.229528030
0.819027410 0.649000020 0.581837720
0.631861410 0.677354020 0.385186580
0.875551000 0.603157890 0.305116080
0.388542940 0.119935980 0.301604260
0.603659800 0.868064170 0.147641590
0.589726460 0.923410190 0.463266870
0.856686510 0.848838160 0.226476420
0.271329950 0.670314350 0.280252070
0.941838470 0.425917960 0.502256710
0.945280740 0.392285480 0.017649460
0.242043050 0.916069380 0.539422030
0.071159250 0.015749590 0.103394280
0.081073820 0.029268310 0.438530580
0.301045440 0.241289550 0.268456620
0.521901550 0.384927030 0.419179260
0.153989140 0.269208830 0.107643470
0.155758880 0.277102440 0.415031620
0.417745460 0.490108960 0.267934040
0.396144250 0.229358550 0.318281080
0.464757210 0.309455670 0.184133950
0.448016430 0.375466280 0.480703240
0.222290470 0.436039600 0.194448950
0.229739640 0.208418370 0.196170930
0.266915010 0.070790040 0.356342370
0.516643320 0.429948360 0.619531280
0.013588560 0.145231000 0.336174430
0.102340060 0.928811900 0.491498630
0.050363630 0.520868170 0.109757490
0.070475040 0.527624120 0.431315080
0.307898320 0.742688740 0.268280160
0.606289530 0.104326690 0.003554110
0.165377310 0.763150140 0.106702010
0.143620300 0.778822430 0.412173150
0.421329850 0.992780270 0.268347720
0.535795170 0.883914570 0.516127150
0.476174930 0.809935550 0.185641550
0.439416140 0.870773980 0.483685950
0.233096130 0.935515310 0.192219610
0.370345640 0.454386740 0.262432670
0.276658840 0.577902780 0.358469850
0.028305190 0.642840570 0.327033770
0.651552120 0.328891450 0.877397800
0.557548400 0.988348270 0.104562970
0.575125720 0.080795490 0.441549510
0.817013770 0.195451440 0.256538510
0.783102820 0.289933670 0.494250720
0.650075370 0.237361200 0.108326090
0.658392570 0.325228270 0.410260770
0.878660590 0.445425420 0.283607790
0.758687210 0.763823430 0.459750560
0.974699700 0.329859050 0.185944570
0.946039120 0.327032480 0.487174940
0.715848660 0.405848720 0.194598670
0.646619070 0.203597530 0.492208530
0.758385590 0.098040900 0.359878400
0.550076500 0.003973230 0.553362360
0.507841570 0.186496180 0.337972140
0.570535740 0.737819680 0.448376640
0.553780810 0.489541320 0.105770260
0.587449630 0.579565930 0.438119410
0.825738480 0.696230080 0.251479560
0.709189990 0.828515590 0.374462820
0.654191260 0.736408880 0.107562240
0.648024290 0.831263860 0.410981950
0.889148970 0.945153160 0.281624220
0.943496050 0.984608190 0.685022230
0.984687450 0.835161180 0.182917190
0.936235110 0.829140610 0.486058720
0.726355560 0.910078010 0.191684350
0.480898940 0.017354530 0.315099720
0.775801300 0.622566000 0.359828050
0.519766900 0.681986610 0.334267500
0.107918850 0.681367840 0.002901130
0.132081020 0.152370650 0.647711800
0.523003720 0.476574770 0.560496160
0.826812460 0.553238470 0.020469710
0.196011430 0.902214920 0.936626540
0.061914220 0.119859600 0.699064140
0.268746680 0.855804310 0.247920060
0.979288500 0.629046210 0.529019350
0.920146620 0.174381500 0.582601460
0.102737520 0.112606240 0.107502760
0.199310560 0.298361720 0.072782170
0.095525720 0.612645400 0.109797720
0.209624510 0.788671870 0.071100820
0.591942250 0.084477020 0.108280070
0.688685710 0.264610030 0.071823040
0.592212560 0.584179320 0.108552080
0.694174420 0.762344090 0.071146350
0.100406970 0.624272750 0.856808090
0.734600210 0.665727230 0.583267340
0.404857570 0.855093030 0.196405370
0.500357220 0.131720740 0.582669950
0.029126080 0.538696970 0.026508700
0.734581070 0.627462250 0.431724440
0.139510690 0.180296320 0.927710110
0.155193290 0.608653910 0.685292790
0.190637240 0.760191170 0.998078540
0.901928860 0.611101830 0.665407130
0.738342810 0.703740290 0.431982820
0.950281230 0.054203120 0.163848690
0.783824010 0.083843070 0.121732300
0.107169660 0.389222260 0.895918620
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
----------------------------------------------------------------------------------------
KPOINTS: Automatic mesh
Automatic generation of k-mesh.
Grid dimensions read from file:
generate k-points for: 2 2 1
Generating k-lattice:
Cartesian coordinates Fractional coordinates (reciprocal lattice)
0.051311944 0.000000000 0.000000000 0.500000000 0.000000000 0.000000000
0.000000000 0.051311944 0.000000000 0.000000000 0.500000000 0.000000000
0.000000000 0.000000000 0.042684551 0.000000000 0.000000000 1.000000000
Length of vectors
0.051311944 0.051311944 0.042684551
Shift w.r.t. Gamma in fractional coordinates (k-lattice)
0.000000000 0.000000000 0.000000000
Subroutine IBZKPT returns following result:
===========================================
Found 4 irreducible k-points:
Following reciprocal coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.500000 0.000000 0.000000 1.000000
0.000000 0.500000 0.000000 1.000000
0.500000 0.500000 0.000000 1.000000
Following cartesian coordinates:
Coordinates Weight
0.000000 0.000000 0.000000 1.000000
0.051312 0.000000 0.000000 1.000000
0.000000 0.051312 0.000000 1.000000
0.051312 0.051312 0.000000 1.000000
--------------------------------------------------------------------------------------------------------
Dimension of arrays:
k-points NKPTS = 4 k-points in BZ NKDIM = 4 number of bands NBANDS= 344
number of dos NEDOS = 301 number of ions NIONS = 123
non local maximal LDIM = 4 non local SUM 2l+1 LMDIM = 8
total plane-waves NPLWV = 276480
max r-space proj IRMAX = 1419 max aug-charges IRDMAX= 4355
dimension x,y,z NGX = 48 NGY = 48 NGZ = 120
dimension x,y,z NGXF= 96 NGYF= 96 NGZF= 240
support grid NGXF= 96 NGYF= 96 NGZF= 240
ions per type = 31 67 3 22
NGX,Y,Z is equivalent to a cutoff of 8.19, 8.19, 8.52 a.u.
NGXF,Y,Z is equivalent to a cutoff of 16.38, 16.38, 17.03 a.u.
SYSTEM = No title
POSCAR = No title
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. 15.89 15.89 38.20*2*pi/ulx,y,z
ENINI = 400.0 initial cutoff
ENAUG = 644.9 eV augmentation charge cutoff
NELM = 200; NELMIN= 2; NELMDL= -5 # of ELM steps
EDIFF = 0.1E-04 stopping-criterion for ELM
LREAL = T real-space projection
NLSPLINE = F spline interpolate recip. space projectors
LCOMPAT= F compatible to vasp.4.4
GGA_COMPAT = T GGA compatible to vasp.4.4-vasp.4.6
LMAXPAW = -100 max onsite density
LMAXMIX = 2 max onsite mixed and CHGCAR
VOSKOWN= 1 Vosko Wilk Nusair interpolation
ROPT = -0.00050 -0.00050 -0.00050 -0.00050
Ionic relaxation
EDIFFG = -.2E-01 stopping-criterion for IOM
NSW = 0 number of steps for IOM
NBLOCK = 1; KBLOCK = 1 inner block; outer block
IBRION = -1 ionic relax: 0-MD 1-quasi-New 2-CG
NFREE = 0 steps in history (QN), initial steepest desc. (CG)
ISIF = 2 stress and relaxation
IWAVPR = 10 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= -0.217E-26a.u.
SCALEE = 1.0000 scale energy and forces
NPACO = 256; APACO = 16.0 distance and # of slots for P.C.
PSTRESS= 0.0 pullay stress
Mass of Ions in am
POMASS = 28.09 16.00 12.01 1.00
Ionic Valenz
ZVAL = 4.00 6.00 4.00 1.00
Atomic Wigner-Seitz radii
RWIGS = 1.11 0.73 0.77 0.32
virtual crystal weights
VCA = 1.00 1.00 1.00 1.00
NELECT = 560.0000 total number of electrons
NUPDOWN= -1.0000 fix difference up-down
DOS related values:
EMIN = 10.00; EMAX =-10.00 energy-range for DOS
EFERMI = 0.00
ISMEAR = 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 = 0.0000 energy-eigenvalue tresh-hold
EBREAK = 0.73E-08 absolut break condition
DEPER = 0.30 relativ break condition
TIME = 0.40 timestep for ELM
volume/ion in A,a.u. = 18.09 122.05
Fermi-wavevector in a.u.,A,eV,Ry = 1.033697 1.953405 14.538235 1.068530
Thomas-Fermi vector in A = 2.167957
Write flags
LWAVE = F write WAVECAR
LDOWNSAMPLE = F k-point downsampling of WAVECAR
LCHARG = F write CHGCAR
LVTOT = F write LOCPOT, total local potential
LVHAR = F write LOCPOT, Hartree potential only
LELF = F write electronic localiz. function (ELF)
LORBIT = 0 0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes
Dipole corrections
LMONO = F monopole corrections only (constant potential shift)
LDIPOL = F correct potential (dipole corrections)
IDIPOL = 0 1-x, 2-y, 3-z, 4-all directions
EPSILON= 1.0000000 bulk dielectric constant
Exchange correlation treatment:
GGA = -- GGA type
LEXCH = 8 internal setting for exchange type
VOSKOWN= 1 Vosko Wilk Nusair interpolation
LHFCALC = F Hartree Fock is set to
LHFONE = F Hartree Fock one center treatment
AEXX = 0.0000 exact exchange contribution
Linear response parameters
LEPSILON= 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
LINTERFAST= F fast interpolation
KINTER = 0 interpolate to denser k-point grid
CSHIFT =0.1000 complex shift for real part using Kramers Kronig
OMEGAMAX= -1.0 maximum frequency
DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
RTIME = -0.100 relaxation time in fs
(WPLASMAI= 0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
DFIELD = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
Orbital magnetization related:
ORBITALMAG= F switch on orbital magnetization
LCHIMAG = F perturbation theory with respect to B field
DQ = 0.001000 dq finite difference perturbation B field
LLRAUG = F two centre corrections for induced B field
--------------------------------------------------------------------------------------------------------
Static calculation
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 64
real space projection scheme for non local part
use partial core corrections
calculate Harris-corrections to forces
(improved forces if not selfconsistent)
use gradient corrections
use of overlap-Matrix (Vanderbilt PP)
Methfessel and Paxton Order N= 1 SIGMA = 0.20
--------------------------------------------------------------------------------------------------------
energy-cutoff : 400.00
volume of cell : 2224.50
direct lattice vectors reciprocal lattice vectors
9.744320000 0.000000000 0.000000000 0.102623888 0.000000000 0.000000000
0.000000000 9.744320000 0.000000000 0.000000000 0.102623888 0.000000000
0.000000000 0.000000000 23.427680000 0.000000000 0.000000000 0.042684551
length of vectors
9.744320000 9.744320000 23.427680000 0.102623888 0.102623888 0.042684551
k-points in units of 2pi/SCALE and weight: Automatic mesh
0.00000000 0.00000000 0.00000000 0.250
0.05131194 0.00000000 0.00000000 0.250
0.00000000 0.05131194 0.00000000 0.250
0.05131194 0.05131194 0.00000000 0.250
k-points in reciprocal lattice and weights: Automatic mesh
0.00000000 0.00000000 0.00000000 0.250
0.50000000 0.00000000 0.00000000 0.250
0.00000000 0.50000000 0.00000000 0.250
0.50000000 0.50000000 0.00000000 0.250
position of ions in fractional coordinates (direct lattice)
0.12773742 0.12859278 0.38605665
0.37340657 0.12249133 0.30719239
0.70617784 0.06007210 0.70490867
0.10011663 0.39603625 0.14971714
0.09311247 0.38049035 0.46260804
0.35115589 0.36937825 0.22867033
0.54881595 0.83748467 0.88237549
0.12854273 0.62971724 0.38201478
0.37929941 0.62278723 0.30670290
0.05756516 0.85964025 0.21110234
0.11320329 0.89455093 0.14662415
0.08797458 0.87452246 0.46360478
0.35930732 0.87028198 0.22853567
0.13398038 0.06051485 0.82828884
0.62448271 0.17172819 0.38677058
0.86915355 0.09744111 0.30824202
0.37028579 0.18120415 0.53710524
0.59635321 0.36753856 0.14857920
0.59970627 0.42321798 0.46102640
0.84658892 0.34608654 0.22952803
0.81902741 0.64900002 0.58183772
0.63186141 0.67735402 0.38518658
0.87555100 0.60315789 0.30511608
0.38854294 0.11993598 0.30160426
0.60365980 0.86806417 0.14764159
0.58972646 0.92341019 0.46326687
0.85668651 0.84883816 0.22647642
0.27132995 0.67031435 0.28025207
0.94183847 0.42591796 0.50225671
0.94528074 0.39228548 0.01764946
0.24204305 0.91606938 0.53942203
0.07115925 0.01574959 0.10339428
0.08107382 0.02926831 0.43853058
0.30104544 0.24128955 0.26845662
0.52190155 0.38492703 0.41917926
0.15398914 0.26920883 0.10764347
0.15575888 0.27710244 0.41503162
0.41774546 0.49010896 0.26793404
0.39614425 0.22935855 0.31828108
0.46475721 0.30945567 0.18413395
0.44801643 0.37546628 0.48070324
0.22229047 0.43603960 0.19444895
0.22973964 0.20841837 0.19617093
0.26691501 0.07079004 0.35634237
0.51664332 0.42994836 0.61953128
0.01358856 0.14523100 0.33617443
0.10234006 0.92881190 0.49149863
0.05036363 0.52086817 0.10975749
0.07047504 0.52762412 0.43131508
0.30789832 0.74268874 0.26828016
0.60628953 0.10432669 0.00355411
0.16537731 0.76315014 0.10670201
0.14362030 0.77882243 0.41217315
0.42132985 0.99278027 0.26834772
0.53579517 0.88391457 0.51612715
0.47617493 0.80993555 0.18564155
0.43941614 0.87077398 0.48368595
0.23309613 0.93551531 0.19221961
0.37034564 0.45438674 0.26243267
0.27665884 0.57790278 0.35846985
0.02830519 0.64284057 0.32703377
0.65155212 0.32889145 0.87739780
0.55754840 0.98834827 0.10456297
0.57512572 0.08079549 0.44154951
0.81701377 0.19545144 0.25653851
0.78310282 0.28993367 0.49425072
0.65007537 0.23736120 0.10832609
0.65839257 0.32522827 0.41026077
0.87866059 0.44542542 0.28360779
0.75868721 0.76382343 0.45975056
0.97469970 0.32985905 0.18594457
0.94603912 0.32703248 0.48717494
0.71584866 0.40584872 0.19459867
0.64661907 0.20359753 0.49220853
0.75838559 0.09804090 0.35987840
0.55007650 0.00397323 0.55336236
0.50784157 0.18649618 0.33797214
0.57053574 0.73781968 0.44837664
0.55378081 0.48954132 0.10577026
0.58744963 0.57956593 0.43811941
0.82573848 0.69623008 0.25147956
0.70918999 0.82851559 0.37446282
0.65419126 0.73640888 0.10756224
0.64802429 0.83126386 0.41098195
0.88914897 0.94515316 0.28162422
0.94349605 0.98460819 0.68502223
0.98468745 0.83516118 0.18291719
0.93623511 0.82914061 0.48605872
0.72635556 0.91007801 0.19168435
0.48089894 0.01735453 0.31509972
0.77580130 0.62256600 0.35982805
0.51976690 0.68198661 0.33426750
0.10791885 0.68136784 0.00290113
0.13208102 0.15237065 0.64771180
0.52300372 0.47657477 0.56049616
0.82681246 0.55323847 0.02046971
0.19601143 0.90221492 0.93662654
0.06191422 0.11985960 0.69906414
0.26874668 0.85580431 0.24792006
0.97928850 0.62904621 0.52901935
0.92014662 0.17438150 0.58260146
0.10273752 0.11260624 0.10750276
0.19931056 0.29836172 0.07278217
0.09552572 0.61264540 0.10979772
0.20962451 0.78867187 0.07110082
0.59194225 0.08447702 0.10828007
0.68868571 0.26461003 0.07182304
0.59221256 0.58417932 0.10855208
0.69417442 0.76234409 0.07114635
0.10040697 0.62427275 0.85680809
0.73460021 0.66572723 0.58326734
0.40485757 0.85509303 0.19640537
0.50035722 0.13172074 0.58266995
0.02912608 0.53869697 0.02650870
0.73458107 0.62746225 0.43172444
0.13951069 0.18029632 0.92771011
0.15519329 0.60865391 0.68529279
0.19063724 0.76019117 0.99807854
0.90192886 0.61110183 0.66540713
0.73834281 0.70374029 0.43198282
0.95028123 0.05420312 0.16384869
0.78382401 0.08384307 0.12173230
0.10716966 0.38922226 0.89591862
position of ions in cartesian coordinates (Angst):
1.24471430 1.25304920 9.04441166
3.63859311 1.19359472 7.19680501
6.88122285 0.58536177 16.51437475
0.97556848 3.85910395 3.50752525
0.90731770 3.70761973 10.83783313
3.42177536 3.59933987 5.35721532
5.34783824 8.16071862 20.67201062
1.25256149 6.13616630 8.94972002
3.69601483 6.06863806 7.18533740
0.56093334 8.37660968 4.94563807
1.10308908 8.71679052 3.43506367
0.85725246 8.52162670 10.86118443
3.50120550 8.48030610 5.35406055
1.30554770 0.58967606 19.40488589
6.08515936 1.67337444 9.06113738
8.46931032 0.94949736 7.22139541
3.60818323 1.76571122 12.58312969
5.81105651 3.58141334 3.48086595
5.84372980 4.12397143 10.80077897
8.24943334 3.37237799 5.37730924
7.98086517 6.32406387 13.63110792
6.15705977 6.60035432 9.02402794
8.53164912 5.87736349 7.14816189
3.78608674 1.16869457 7.06588809
5.88225426 8.45869505 3.45889993
5.74648334 8.99800438 10.85326798
8.34782749 8.27135066 5.30581710
2.64392586 6.53175753 6.56565582
9.17757544 4.15028090 11.76670948
9.21111802 3.82255525 0.41348590
2.35854493 8.92647318 12.63740670
0.69339850 0.15346904 2.42228811
0.79000925 0.28519978 10.27375410
2.93348310 2.35120259 6.28931579
5.08557571 3.75085216 9.82039757
1.50051946 2.62325699 2.52183677
1.51776437 2.70017485 9.72322798
4.07064544 4.77577854 6.27707295
3.86015634 2.23494311 7.45658729
4.52874298 3.01543507 4.31383126
4.36561546 3.65866358 11.26176168
2.16606947 4.24890940 4.55548778
2.23865657 2.03089529 4.59582977
2.60090527 0.68980080 8.34827501
5.03433784 4.18955440 14.51418058
0.13241128 1.41517734 7.87578697
0.99723429 9.05064037 11.51467262
0.49075933 5.07550613 2.57136335
0.68673134 5.14133826 10.10471167
3.00025976 7.23699674 6.28518174
5.90787919 1.01659265 0.08326455
1.61148943 7.43637917 2.49978055
1.39948216 7.58909498 9.65626066
4.10557288 9.67396864 6.28676451
5.22095959 8.61314642 12.09166171
4.64000089 7.89227118 4.34915083
4.28181148 8.48510031 11.33163966
2.27136328 9.11596055 4.50325951
3.60876643 4.42768980 6.14818861
2.69585227 5.63126962 8.39811694
0.27581483 6.26404422 7.66164251
6.34893235 3.20482353 20.55539489
5.43293003 9.63078181 2.44966780
5.60420906 0.78729711 10.34448062
7.96124362 1.90454138 6.01010212
7.63080447 2.82520646 11.57914771
6.33454243 2.31292349 2.53782897
6.41558789 3.16912834 9.61145804
8.56194996 4.34036783 6.64427255
7.39289095 7.44293993 10.77088900
9.49778578 3.21425214 4.35624988
9.21850792 3.18670914 11.41337860
6.97545841 3.95471980 4.55899537
6.30086314 1.98391948 11.53130393
7.38995187 0.95534190 8.43111599
5.36012144 0.03871642 12.96399629
4.94857077 1.81727846 7.91790314
5.55948282 7.18955106 10.50442444
5.39621742 4.77024728 2.47795180
5.72429718 5.64747588 10.26412134
8.04625999 6.78428869 5.89158266
6.91057420 8.07332103 8.77279512
6.37464898 7.17580378 2.51993374
6.31455605 8.10010106 9.62835361
8.66415209 9.20987484 6.59780211
9.19372743 9.59433728 16.04848160
9.59510961 8.13807779 4.28532539
9.12297451 8.07941143 11.38722815
7.07784101 8.86809135 4.49071961
4.68603316 0.16910809 7.38205541
7.55965612 6.06648233 8.42993641
5.06477500 6.64549576 7.83111202
1.05159581 6.63946627 0.06796675
1.28703972 1.48474837 15.17438478
5.09631561 4.64389706 13.13112468
8.05672519 5.39093269 0.47955782
1.90999810 8.79147089 21.94298686
0.60331197 1.16795030 16.37745097
2.61875365 8.33923105 5.80819183
9.54250052 6.12962757 12.39369605
8.96620311 1.69922914 13.64900057
1.00110727 1.09727124 2.51854026
1.94214588 2.90733208 1.70511739
0.93083318 5.96981282 2.57230585
2.04264831 7.68507108 1.66572726
5.76807471 0.82317112 2.53675083
6.71077394 2.57844481 1.68264720
5.77070869 5.69243023 2.54312339
6.76425768 7.42852476 1.66679392
0.97839765 6.08311344 20.07302575
7.15817952 6.48705916 13.66460060
3.94506172 8.33230011 4.60132216
4.87564087 1.28352904 13.65060513
0.28381384 5.24923566 0.62103734
7.15799301 6.11419295 10.11430203
1.35943681 1.75686504 21.73409559
1.51225308 5.93091847 16.05482019
1.85763027 7.40754602 23.38266465
8.78868343 5.95477178 15.58894531
7.19464861 6.85747058 10.12035527
9.25984440 0.52817255 3.83859468
7.63783198 0.81699370 2.85190537
1.04429546 3.79270625 20.98929474
--------------------------------------------------------------------------------------------------------
k-point 1 : 0.0000 0.0000 0.0000 plane waves: 40373
k-point 2 : 0.5000 0.0000 0.0000 plane waves: 40412
k-point 3 : 0.0000 0.5000 0.0000 plane waves: 40412
k-point 4 : 0.5000 0.5000 0.0000 plane waves: 40468
maximum and minimum number of plane-waves per node : 40468 40373
maximum number of plane-waves: 40468
maximum index in each direction:
IXMAX= 15 IYMAX= 15 IZMAX= 38
IXMIN= -16 IYMIN= -16 IZMIN= -38
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 64 to avoid them
WARNING: aliasing errors must be expected set NGY to 64 to avoid them
WARNING: aliasing errors must be expected set NGZ to 160 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 341579. kBytes
=======================================================================
base : 30000. kBytes
nonlr-proj: 12429. kBytes
fftplans : 19807. kBytes
grid : 51167. kBytes
one-center: 377. kBytes
wavefun : 227799. kBytes
Broyden mixing: mesh for mixing (old mesh)
NGX = 31 NGY = 31 NGZ = 77
(NGX = 96 NGY = 96 NGZ =240)
gives a total of 73997 points
initial charge density was supplied:
charge density of overlapping atoms calculated
number of electron 560.0000000 magnetization
keeping initial charge density in first step
--------------------------------------------------------------------------------------------------------
Maximum index for non-local projection operator 1344
Maximum index for augmentation-charges 1039 (set IRDMAX)
--------------------------------------------------------------------------------------------------------
First call to EWALD: gamma= 0.136
Maximum number of real-space cells 4x 4x 2
Maximum number of reciprocal cells 2x 2x 5
----------------------------------------- Iteration 1( 1) ---------------------------------------
eigenvalue-minimisations : 2960
total energy-change (2. order) : 0.5880744E+04 (-0.2375098E+05)
number of electron 560.0000000 magnetization
augmentation part 560.0000000 magnetization
Free energy of the ion-electron system (eV)
---------------------------------------------------
alpha Z PSCENC = 485.29640442
Ewald energy TEWEN = 72959.61699088
-Hartree energ DENC = -100493.95861478
-exchange EXHF = 0.00000000
-V(xc)+E(xc) XCENC = 1695.06861340
PAW double counting = 26323.16748245 -25900.19020917
entropy T*S EENTRO = 0.02502371
eigenvalues EBANDS = -2060.86550561
atomic energy EATOM = 32872.58385771
Solvation Ediel_sol = 0.00000000
---------------------------------------------------
free energy TOTEN = 5880.74404301 eV
energy without entropy = 5880.71901931 energy(sigma->0) = 5880.73570178
--------------------------------------------------------------------------------------------------------
----------------------------------------- Iteration 1( 2) ---------------------------------------
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| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Error EDDDAV: Call to ZHEGV failed. Returncode = 16 2 16 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
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