Using device 1 (rank 1, local rank 1, local size 4) : Tesla V100-PCIE-16GB
Using device 3 (rank 3, local rank 3, local size 4) : Tesla V100-SXM2-16GB
Using device 2 (rank 2, local rank 2, local size 4) : Tesla V100-PCIE-16GB
Using device 0 (rank 0, local rank 0, local size 4) : Tesla V100-SXM2-16GB
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 groups
*******************************************************************************
You are running the GPU port of VASP! When publishing results obtained with
this version, please cite:
- M. Hacene et al., http://dx.doi.org/10.1002/jcc.23096
- M. Hutchinson and M. Widom, http://dx.doi.org/10.1016/j.cpc.2012.02.017
in addition to the usual required citations (see manual).
GPU developers: A. Anciaux-Sedrakian, C. Angerer, and M. Hutchinson.
*******************************************************************************
-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| Please note that VASP has recently been ported to GPU by means of |
| OpenACC. You are running the CUDA-C GPU-port of VASP, which is |
| deprecated and no longer actively developed, maintained, or |
| supported. In the near future, the CUDA-C GPU-port of VASP will be |
| dropped completely. We encourage you to switch to the OpenACC |
| GPU-port of VASP as soon as possible. |
| |
-----------------------------------------------------------------------------
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.
POSCAR found type information on POSCAR SiO C H
POSCAR found : 4 types and 123 ions
NWRITE = 1
NWRITE = 1
NWRITE = 1
NWRITE = 1
LDA part: xc-table for Pade appr. of Perdew
WARNING: The GPU port of VASP has been extensively
tested for: ALGO=Normal, Fast, and VeryFast.
Other algorithms may produce incorrect results or
yield suboptimal performance. Handle with care!
-----------------------------------------------------------------------------
| |
| 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! |
| |
-----------------------------------------------------------------------------
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 120 x 48 x 48...
creating 32 CUFFT plans with grid size 120 x 48 x 48...
creating 32 CUFFT plans with grid size 120 x 48 x 48...
creating 32 CUFFT plans with grid size 120 x 48 x 48...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.463821225617E+04 0.46382E+04 -0.23444E+05 2920 0.115E+03
DAV: 2 0.319048513566E+03 -0.43192E+04 -0.41391E+04 3568 0.315E+02
DAV: 3 -0.210292373513E+03 -0.52934E+03 -0.51591E+03 3200 0.119E+02
DAV: 4 -0.225315729566E+03 -0.15023E+02 -0.14921E+02 3352 0.199E+01
DAV: 5 -0.225750639574E+03 -0.43491E+00 -0.43397E+00 3496 0.315E+00 0.364E+03
DAV: 6 -0.187420909850E+03 0.38330E+02 -0.62549E+02 3120 0.459E+01 0.198E+03
DAV: 7 -0.154989856491E+04 -0.13625E+04 -0.73573E+03 4328 0.124E+02 0.825E+02
DAV: 8 -0.496355920389E+03 0.10535E+04 -0.94811E+03 4616 0.130E+02 0.247E+02
DAV: 9 -0.182413978197E+03 0.31394E+03 -0.45565E+03 4000 0.875E+01 0.377E+02
DAV: 10 -0.300714983531E+03 -0.11830E+03 -0.11669E+03 3552 0.414E+01 0.392E+02
DAV: 11 -0.297815119729E+03 0.28999E+01 -0.26349E+01 3184 0.678E+00 0.392E+02
DAV: 12 -0.262624333605E+03 0.35191E+02 -0.72494E+01 3192 0.154E+01 0.386E+02
DAV: 13 -0.265643437401E+03 -0.30191E+01 -0.10020E+01 2968 0.521E+00 0.386E+02
DAV: 14 -0.280785706833E+03 -0.15142E+02 -0.31024E+01 3128 0.106E+01 0.389E+02
DAV: 15 -0.369928915538E+03 -0.89143E+02 -0.11209E+02 3008 0.234E+01 0.399E+02
DAV: 16 -0.406571304634E+03 -0.36642E+02 -0.45144E+01 3096 0.134E+01 0.409E+02
DAV: 17 -0.714528424431E+03 -0.30796E+03 -0.28279E+02 3144 0.371E+01 0.713E+02
DAV: 18 -0.656009756681E+03 0.58519E+02 -0.13053E+02 3232 0.231E+01 0.494E+02
DAV: 19 -0.522367454730E+03 0.13364E+03 -0.49780E+01 3032 0.154E+01 0.470E+02
DAV: 20 -0.454259862758E+03 0.68108E+02 -0.25213E+01 3080 0.882E+00 0.445E+02
DAV: 21 -0.247376287922E+03 0.20688E+03 -0.18468E+02 3176 0.282E+01 0.384E+02
DAV: 22 -0.271925071135E+03 -0.24549E+02 -0.22701E+01 3032 0.948E+00 0.389E+02
DAV: 23 -0.552033315189E+03 -0.28011E+03 -0.28819E+02 3240 0.439E+01 0.502E+02
DAV: 24 -0.693842080187E+03 -0.14181E+03 -0.14928E+02 3096 0.205E+01 0.569E+02
DAV: 25 -0.105728167585E+04 -0.36344E+03 -0.16409E+02 3192 0.250E+01 0.669E+02
DAV: 26 -0.903911746957E+03 0.15337E+03 -0.36772E+05 3176 0.182E+03 0.682E+02
DAV: 27 -0.139687251979E+05 -0.13065E+05 -0.74533E+04 5048 0.347E+02 0.173E+04
DAV: 28 -0.590246553662E+05 -0.45056E+05 -0.19726E+05 3984 0.992E+02 0.162E+04
DAV: 29 -0.234760875666E+10 -0.23475E+10 -0.71862E+08 3992 0.110E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 560.00100 new 555.57827
0.219E+04
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.552956552507948E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.519323065829671E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.552956552507948E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.519323065829671E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.552956552507948E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.519323065829671E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.552956552507948E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.519323065829671E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.241113493848243E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.241113493848243E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.241113493848243E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.241113493848243E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.038506055027792E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.038506055027792E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.038506055027792E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-2.038506055027792E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.750400948517481E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.750400948517481E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.750400948517481E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-3.750400948517481E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.130287572808730E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.130287572808730E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.130287572808730E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.130287572808730E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.469366054338920E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.469366054338920E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.469366054338920E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-2.469366054338920E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.504701598529153E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.504701598529153E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.504701598529153E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 37
-8.504701598529153E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.268664466985171E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.814791043134148E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.268664466985171E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.814791043134148E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.268664466985171E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.814791043134148E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.268664466985171E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.814791043134148E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.649387637251774E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.849944360448161E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.649387637251774E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.849944360448161E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.649387637251774E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.849944360448161E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-4.649387637251774E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-3.849944360448161E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.173066026469223E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.896689005807570E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.173066026469223E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.896689005807570E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.173066026469223E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.896689005807570E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-5.173066026469223E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-3.896689005807570E-005
DAV: 30 -0.147648975592E+11 -0.12417E+11 -0.11549E+11 3784 0.199E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 555.57827 new 557.22143
0.782E+04
DAV: 31 -0.303194842122E+07 0.14762E+11 -0.55100E+06 3248 0.156E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 557.22143 new 524.97919
0.837E+03
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.364578694862937E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.364578694862937E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.364578694862937E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-5.364578694862937E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.462112241599935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.462112241599935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.462112241599935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
6.462112241599935E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.707894863316375E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.707894863316375E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.707894863316375E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
7.707894863316375E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.901348989286870E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.198964639402985E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.326239332874982E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.901348989286870E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.198964639402985E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.326239332874982E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.901348989286870E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.198964639402985E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.326239332874982E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
5.901348989286870E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
7.198964639402985E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
4.326239332874982E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.155521448313737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.013817466642025E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.505467109927933E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.155521448313737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.013817466642025E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.505467109927933E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.155521448313737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.013817466642025E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.505467109927933E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.155521448313737E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
3.013817466642025E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
5.505467109927933E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.528485712269275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.528485712269275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.528485712269275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
1.528485712269275E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.253257462496778E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.253257462496778E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.253257462496778E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
9.253257462496778E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.558775793956625E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.069231677560156E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.393002174842993E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.558775793956625E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.069231677560156E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.393002174842993E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.558775793956625E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.069231677560156E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.393002174842993E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
3.558775793956625E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
3.069231677560156E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.393002174842993E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.305477078589120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.305477078589120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.305477078589120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.305477078589120E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.337612017208311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.602299698348906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.420277968724589E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.337612017208311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.602299698348906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.420277968724589E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.337612017208311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.602299698348906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.420277968724589E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
1.337612017208311E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.602299698348906E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
3.420277968724589E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.206430086565156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.206430086565156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.206430086565156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.206430086565156E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.365805922599017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.316295674101282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.365805922599017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.316295674101282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.365805922599017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.316295674101282E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-4.365805922599017E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.316295674101282E-002
DAV: 32 -0.308507216113E+11 -0.30848E+11 -0.28071E+11 3056 0.279E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 524.97919 new 529.17695
0.119E+04
DAV: 33 -0.113013113680E+08 0.30839E+11 -0.65746E+07 2928 0.476E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 529.17695 new 497.12531
0.667E+03
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.268497427486187E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.268497427486187E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.268497427486187E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.268497427486187E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.180266826919219E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.180266826919219E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.180266826919219E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.180266826919219E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.446456791956864E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.768175927948884E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.446456791956864E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.768175927948884E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.446456791956864E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.768175927948884E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-3.446456791956864E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
2.768175927948884E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.356143894566053E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.055046151674019E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.356143894566053E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.055046151674019E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.356143894566053E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.055046151674019E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.356143894566053E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-4.055046151674019E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.771844808597943E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.771844808597943E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.771844808597943E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-1.771844808597943E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.384369990338453E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.384369990338453E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.384369990338453E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.384369990338453E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.085207430730389E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.085207430730389E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.085207430730389E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
-3.085207430730389E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.031623364631449E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.031623364631449E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.031623364631449E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
-3.031623364631449E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.238204775877682E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.238204775877682E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.238204775877682E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.238204775877682E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.024653519930659E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.024653519930659E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.024653519930659E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-7.024653519930659E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.372236987416765E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.664972614495165E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.372236987416765E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.664972614495165E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.372236987416765E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.664972614495165E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-6.372236987416765E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-2.664972614495165E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.677569986384335E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.853147879065049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.493460381472414E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.677569986384335E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.853147879065049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.493460381472414E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.677569986384335E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.853147879065049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.493460381472414E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-8.677569986384335E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.853147879065049E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.493460381472414E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.331780263354966E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.008680816459902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.331780263354966E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.008680816459902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.331780263354966E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.008680816459902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
-9.331780263354966E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-1.008680816459902E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-9.257401344620128E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.008097951815717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-9.257401344620128E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.008097951815717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-9.257401344620128E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.008097951815717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
-9.257401344620128E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-1.008097951815717E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.114148906356560E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.425525243614917E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.178168645442097E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.833277507931015E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.114148906356560E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.425525243614917E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.178168645442097E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.833277507931015E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.114148906356560E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.425525243614917E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.178168645442097E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.833277507931015E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.114148906356560E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-5.425525243614917E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-6.178168645442097E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-3.833277507931015E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.036743255060497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.836898051348217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.878723224092093E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.036743255060497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.836898051348217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.878723224092093E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.036743255060497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.836898051348217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.878723224092093E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.036743255060497E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.836898051348217E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.878723224092093E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.408543154705239E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.512268589243099E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.404309588827331E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.408543154705239E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.512268589243099E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.404309588827331E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.408543154705239E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.512268589243099E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.404309588827331E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.408543154705239E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-6.512268589243099E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.404309588827331E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.505492518420892E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.466011988658036E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.110016135341255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.005656105917678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.514762968711950E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.505492518420892E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.466011988658036E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.110016135341255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.005656105917678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.514762968711950E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.505492518420892E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.466011988658036E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.110016135341255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.005656105917678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.514762968711950E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-9.505492518420892E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-9.466011988658036E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-8.110016135341255E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.005656105917678E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-9.514762968711950E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.963617863624027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.222805573385225E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.059887091800896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.349904872444699E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.963617863624027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.222805573385225E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.059887091800896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.349904872444699E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.963617863624027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.222805573385225E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.059887091800896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.349904872444699E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-9.963617863624027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 28
-9.222805573385225E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 30
-1.059887091800896E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-9.349904872444699E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.603434072071277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.162653646024921E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.036305582589183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.209868843745564E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.603434072071277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.162653646024921E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.036305582589183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.209868843745564E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.603434072071277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.162653646024921E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.036305582589183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.209868843745564E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-9.603434072071277E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-9.162653646024921E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
-1.036305582589183E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 39
-9.209868843745564E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.547646743662360E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.749765135203845E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.122176036440733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.547646743662360E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.749765135203845E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.122176036440733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.547646743662360E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.749765135203845E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.122176036440733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-5.547646743662360E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.749765135203845E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-4.122176036440733E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.822823456714344E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.758522677879202E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.023600380036336E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.833521836184144E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-8.307746405511006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.822823456714344E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.758522677879202E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.023600380036336E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.833521836184144E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-8.307746405511006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.822823456714344E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.758522677879202E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.023600380036336E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.833521836184144E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-8.307746405511006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-8.822823456714344E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.758522677879202E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.023600380036336E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-7.833521836184144E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-8.307746405511006E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.038563610861200E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.038563610861200E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.038563610861200E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-5.038563610861200E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.803034747131463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.026036811518097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.550139616721551E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.803034747131463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.026036811518097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.550139616721551E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.803034747131463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.026036811518097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.550139616721551E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-9.803034747131463E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.026036811518097E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-7.550139616721551E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.232540682306600E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.232540682306600E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.232540682306600E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
-7.232540682306600E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.154474004092513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.021595046757633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.154474004092513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.021595046757633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.154474004092513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.021595046757633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.154474004092513E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.021595046757633E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.308794464328184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.295472537331186E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.308794464328184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.295472537331186E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.308794464328184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.295472537331186E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-1.308794464328184E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-8.295472537331186E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.132878980470423E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.132878980470423E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.132878980470423E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-8.132878980470423E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.676777150400088E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.276504874484369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.621207062801424E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.676777150400088E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.276504874484369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.621207062801424E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.676777150400088E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.276504874484369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.621207062801424E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-8.676777150400088E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.276504874484369E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-8.621207062801424E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.171928667871786E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.171928667871786E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.171928667871786E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.171928667871786E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.537460054042851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.537460054042851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.537460054042851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.537460054042851E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.873367241956110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.873367241956110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.873367241956110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 25
-1.873367241956110E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.035747306578893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.035747306578893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.035747306578893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
-2.035747306578893E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.525847350771013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.525847350771013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.525847350771013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
-7.525847350771013E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.075437245195561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.075437245195561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.075437245195561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.075437245195561E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.920309923185027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.674142768279752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.839118940995541E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.920309923185027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.674142768279752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.839118940995541E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.920309923185027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.674142768279752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.839118940995541E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-7.920309923185027E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 13
-7.674142768279752E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 14
-5.839118940995541E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.069956198659116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.157640043244904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.339476677529431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.200386891405345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.235983851968528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.069956198659116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.157640043244904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.339476677529431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.200386891405345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.235983851968528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.069956198659116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.157640043244904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.339476677529431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.200386891405345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.235983851968528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-1.069956198659116E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 19
-1.157640043244904E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 20
-1.339476677529431E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.200386891405345E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.235983851968528E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.662634977022559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.662634977022559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.662634977022559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-6.662634977022559E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.390984211443914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.766275833089154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.324759143388015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.390984211443914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.766275833089154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.324759143388015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.390984211443914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.766275833089154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.324759143388015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.390984211443914E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.766275833089154E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.324759143388015E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.811561324928606E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.811561324928606E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.811561324928606E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
-8.811561324928606E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.181201305770753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.181201305770753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.181201305770753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-1.181201305770753E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.431765642126156E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.431765642126156E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.431765642126156E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
6.431765642126156E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.377178399005945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.377178399005945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.377178399005945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
-1.377178399005945E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.404363153396262E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.404363153396262E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.404363153396262E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 3
4.404363153396262E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.506147483310491E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.506147483310491E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.506147483310491E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
2.506147483310491E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.427840793474655E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.427840793474655E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.427840793474655E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-2.427840793474655E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.875049690972192E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.083444904865464E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.875049690972192E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.083444904865464E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.875049690972192E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.083444904865464E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-1.875049690972192E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
2.083444904865464E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.644046798609384E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.644046798609384E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.644046798609384E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.644046798609384E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.115108362804752E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.115108362804752E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.115108362804752E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 7
-2.115108362804752E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.193100061503297E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.193100061503297E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.193100061503297E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
1.193100061503297E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.004152938732587E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.755779546782059E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.004152938732587E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.755779546782059E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.004152938732587E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.755779546782059E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-1.004152938732587E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
2.755779546782059E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.009656656915483E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.009656656915483E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.009656656915483E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 6
-2.009656656915483E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.058673298187971E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.332254950981817E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.058673298187971E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.332254950981817E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.058673298187971E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.332254950981817E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.058673298187971E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.332254950981817E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.347251223380204E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.890640358358159E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.347251223380204E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.890640358358159E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.347251223380204E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.890640358358159E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
-1.347251223380204E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
-6.890640358358159E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.094790330560560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.094790330560560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.094790330560560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 8
1.094790330560560E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.349427687731416E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.251214287330117E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.343247679754892E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.349427687731416E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.251214287330117E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.343247679754892E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.349427687731416E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.251214287330117E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.343247679754892E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
-2.349427687731416E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 2
1.251214287330117E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 5
2.343247679754892E-004
DAV: 34 -0.136616490823E+10 -0.13549E+10 -0.13652E+10 3152 0.295E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 497.12531 new 526.88443
0.751E+03
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.974336163481546E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.974336163481546E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.974336163481546E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
5.974336163481546E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.634083560455635E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.793371882289171E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.634083560455635E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.793371882289171E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.634083560455635E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.793371882289171E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
1.634083560455635E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 38
3.793371882289171E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.184157027434285E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.184157027434285E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.184157027434285E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-1.184157027434285E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.066382727623999E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.066382727623999E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.066382727623999E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 15
1.066382727623999E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.263781443475941E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.263781443475941E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.263781443475941E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-3.263781443475941E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.778821920199808E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.778821920199808E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.778821920199808E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
-5.778821920199808E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.298137414828567E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.298137414828567E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.298137414828567E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 26
-1.298137414828567E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.707240479730980E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.707240479730980E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.707240479730980E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
-2.707240479730980E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.319941458504702E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.319941458504702E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.319941458504702E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
-3.319941458504702E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.839447872122277E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.839447872122277E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.839447872122277E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
1.839447872122277E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.694895995570642E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.694895995570642E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.694895995570642E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 12
1.694895995570642E-003
DAV: 35 -0.383368183967E+06 0.13658E+10 -0.79867E+05 3832 0.212E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 526.88443 new 540.21257
0.281E+04
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.731318848839705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.781058441116416E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.731318848839705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.781058441116416E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.731318848839705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.781058441116416E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-5.731318848839705E-002
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-6.781058441116416E-003
DAV: 36 -0.142719481033E+11 -0.14272E+11 -0.26785E+10 3216 0.487E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 540.21257 new 509.72854
0.929E+04
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.892753578282976E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.892753578282976E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.892753578282976E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 36
3.892753578282976E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.466940495915863E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.466940495915863E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.466940495915863E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 32
2.466940495915863E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.144117272519429E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.144117272519429E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.144117272519429E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 35
2.144117272519429E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.057681266921145E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.057681266921145E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.057681266921145E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 9
7.057681266921145E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.451685305021357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.451685305021357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.451685305021357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
-2.451685305021357E-003
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.575365790584743E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.575365790584743E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.575365790584743E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 29
2.575365790584743E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.487910037279851E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.487910037279851E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.487910037279851E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 33
7.487910037279851E-005
DAV: 37 -0.205856977270E+07 0.14270E+11 -0.16073E+07 4832 0.185E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 509.72854 new 586.08311
0.190E+03
DAV: 38 -0.170886864950E+13 -0.17089E+13 -0.16965E+13 4272 0.136E+06BRMIX: very serious problems
the old and the new charge density differ
old charge density: 586.08311 new 534.93257
0.147E+04
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-2.130220584911452E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-2.130220584911452E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-2.130220584911452E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 16
-2.130220584911452E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.032959433150600E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.032959433150600E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.032959433150600E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 11
1.032959433150600E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.150688772693307E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.150688772693307E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.150688772693307E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 1
1.150688772693307E-005
DAV: 39 -0.186931349211E+06 0.17089E+13 -0.52220E+05 3232 0.289E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 534.93257 new 536.47615
0.514E+04
DAV: 40 -0.155350001210E+10 -0.15533E+10 -0.15533E+10 3832 0.685E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 536.47615 new 578.08223
0.139E+04
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.895740099006946E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.895740099006946E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.895740099006946E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.895740099006946E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.387169510188738E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.387169510188738E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.387169510188738E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 22
2.387169510188738E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.938875651792847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.938875651792847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.938875651792847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 27
3.938875651792847E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.217196874780844E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.217196874780844E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.217196874780844E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
3.217196874780844E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.827408431725002E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.827408431725002E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.827408431725002E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 31
2.827408431725002E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.082535334980705E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.082535334980705E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.082535334980705E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 21
-1.082535334980705E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.483805674401929E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.483805674401929E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.483805674401929E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
-3.483805674401929E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.140451692553230E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.140451692553230E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.140451692553230E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
3.140451692553230E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.446774331318790E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.446774331318790E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.446774331318790E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 23
6.446774331318790E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.736978722376679E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.736978722376679E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.736978722376679E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 17
2.736978722376679E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.241159708877200E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.241159708877200E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.241159708877200E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
1.241159708877200E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.191695490146620E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.191695490146620E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.191695490146620E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-4.191695490146620E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.260758278301106E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.260758278301106E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.260758278301106E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 24
-1.260758278301106E-004
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.169663327835951E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.169663327835951E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.169663327835951E-005
WARNING: Sub-Space-Matrix is not hermitian in DAV 18
-2.169663327835951E-005
DAV: 41 -0.418184211427E+05 0.15535E+10 -0.14137E+05 3648 0.148E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 578.08223 new 607.18504
0.280E+03
-----------------------------------------------------------------------------
| |
| 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 FEXCP: supplied Exchange-correletion table |
| is too small, maximal index : 4364 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
*****************************
Error running VASP parallel with MPI
#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/172.16.0.39-32000-task83781"
export PATH="/home/user/MD/Linux-x86_64/IntelMPI5/bin:$PATH"
export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/home/user/MD/Linux-x86_64/IntelMPI5/lib:/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64"
"/home/user/MD/Linux-x86_64/IntelMPI5/bin/mpirun" -r ssh -np 4 "/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64/vasp_gpu"
1
1
1
1
*****************************