Using device 1 (rank 1, local rank 1, local size 3) : Tesla P100-PCIE-12GB
Using device 2 (rank 2, local rank 2, local size 3) : Quadro GP100
Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-12GB
 running on    3 total cores
 distrk:  each k-point on    3 cores,    1 groups
 distr:  one band on    1 cores,    3 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 H N C 
 POSCAR found :  5 types and     165 ions
 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 CUFFT plans with grid size 80 x 140 x 40...
creating 32 CUFFT plans with grid size 80 x 140 x 40...
creating 32 CUFFT plans with grid size 80 x 140 x 40...
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.497798414105E+04    0.49780E+04   -0.20716E+05  1560   0.104E+03 
DAV:   2     0.120945221765E+04   -0.37685E+04   -0.35549E+04  2136   0.245E+02 
DAV:   3     0.547173883519E+03   -0.66228E+03   -0.64321E+03  2283   0.101E+02 
DAV:   4     0.508928192844E+03   -0.38246E+02   -0.37429E+02  2067   0.248E+01 
DAV:   5     0.507273894135E+03   -0.16543E+01   -0.16400E+01  2238   0.513E+00    0.477E+03
DAV:   6     0.400142676154E+03   -0.10713E+03   -0.20025E+03  2475   0.779E+01    0.106E+03
DAV:   7    -0.474102242920E+04   -0.51412E+04   -0.63877E+04  2856   0.268E+02    0.238E+03
DAV:   8     0.834948471090E+03    0.55760E+04   -0.34037E+04  2586   0.139E+02    0.150E+03
DAV:   9     0.650328135168E+03   -0.18462E+03   -0.61754E+03  2229   0.113E+02    0.137E+03
DAV:  10     0.660606557572E+03    0.10278E+02   -0.16277E+03  2097   0.659E+01    0.127E+03
DAV:  11     0.632301432194E+03   -0.28305E+02   -0.11769E+03  2136   0.529E+01    0.905E+02
DAV:  12     0.259324401746E+03   -0.37298E+03   -0.28878E+03  2295   0.689E+01    0.407E+02
DAV:  13     0.734639693814E+03    0.47532E+03   -0.47933E+02  2172   0.367E+01    0.285E+02
DAV:  14     0.771423767286E+03    0.36784E+02   -0.77696E+02  2391   0.316E+01    0.443E+02
DAV:  15     0.817215269366E+03    0.45792E+02   -0.32163E+02  2193   0.185E+01    0.449E+02
DAV:  16     0.804047504256E+03   -0.13168E+02   -0.21847E+02  2283   0.158E+01    0.677E+02
DAV:  17     0.806712007368E+03    0.26645E+01   -0.56164E+01  2094   0.726E+00    0.785E+02
DAV:  18     0.808455086948E+03    0.17431E+01   -0.58322E+00  1986   0.235E+00    0.793E+02
DAV:  19     0.800576191830E+03   -0.78789E+01   -0.28048E+01  2292   0.453E+00    0.798E+02
DAV:  20     0.774695714297E+03   -0.25880E+02   -0.29038E+01  2175   0.704E+00    0.827E+02
DAV:  21     0.779403635996E+03    0.47079E+01   -0.13770E+01  2085   0.410E+00    0.812E+02
DAV:  22     0.705012570420E+03   -0.74391E+02   -0.74125E+02  2175   0.133E+01    0.824E+02
DAV:  23     0.692567169355E+03   -0.12445E+02   -0.72126E+01  1974   0.512E+00    0.850E+02
DAV:  24     0.691286220091E+03   -0.12809E+01   -0.26757E+00  2220   0.129E+00    0.859E+02
DAV:  25     0.692425701039E+03    0.11395E+01   -0.56537E-01  1923   0.693E-01    0.895E+02
DAV:  26     0.682152076313E+03   -0.10274E+02   -0.75365E+00  2310   0.258E+00    0.101E+03
DAV:  27     0.675175070407E+03   -0.69770E+01   -0.27593E+01  2355   0.540E+00    0.802E+02
DAV:  28     0.607116741108E+03   -0.68058E+02   -0.59799E+01  2175   0.103E+01    0.749E+02
DAV:  29     0.635072211916E+03    0.27955E+02   -0.35464E+01  2238   0.107E+01    0.811E+02
DAV:  30     0.378222249964E+03   -0.25685E+03   -0.14279E+03  2004   0.163E+01    0.163E+03
DAV:  31     0.639032224449E+03    0.26081E+03   -0.63668E+02  1725   0.857E+00    0.726E+02
DAV:  32     0.773106376084E+03    0.13407E+03   -0.20467E+02  2289   0.783E+00    0.102E+03
DAV:  33    -0.589904455702E+05   -0.59764E+05   -0.46764E+05  2799   0.113E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   596.00002 new  601.56818
    0.192E+04
DAV:  34    -0.275086592061E+03    0.58715E+05   -0.14380E+04  2229   0.106E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   601.56818 new  606.68934
    0.951E+02
DAV:  35    -0.572464124946E+03   -0.29738E+03   -0.14379E+03  2364   0.459E+01BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   606.68934 new  607.22773
    0.102E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  1.296214672485100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  1.296214672485100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  1.296214672485100E-005
DAV:  36    -0.211930640563E+05   -0.20621E+05   -0.12911E+03  2571   0.431E+01BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   607.22773 new  606.66894
    0.117E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.164056467349820E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.164056467349820E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.164056467349820E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  1.597338651119220E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  1.597338651119220E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  1.597338651119220E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.900202842953134E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.900202842953134E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.900202842953134E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -4.020062532564444E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -4.020062532564444E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -4.020062532564444E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  2.575942431270265E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  2.575942431270265E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  2.575942431270265E-004
DAV:  37    -0.403636430127E+06   -0.38244E+06   -0.13877E+06  2142   0.527E+01BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   606.66894 new  604.49088
    0.225E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  1.331097128365314E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  1.331097128365314E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  1.331097128365314E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -1.034622904481626E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -1.034622904481626E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -1.034622904481626E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           35
  5.003878932275910E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           35
  5.003878932275910E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           35
  5.003878932275910E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
 -2.815855737959806E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
 -2.815855737959806E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
 -2.815855737959806E-005
DAV:  38    -0.420262543843E+05    0.36161E+06   -0.13079E+04  1884   0.996E+01BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   604.49088 new  590.09653
    0.826E+02
DAV:  39    -0.704287162650E+05   -0.28402E+05   -0.52988E+05  1605   0.154E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   590.09653 new  589.77723
    0.127E+03
DAV:  40    -0.151345872916E+06   -0.80917E+05   -0.10456E+05  1620   0.210E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   589.77723 new  573.05359
    0.170E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  1.897045374254534E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  1.897045374254534E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  1.897045374254534E-005
DAV:  41    -0.561848161858E+06   -0.41050E+06   -0.48169E+06  1803   0.214E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   573.05359 new  538.01474
    0.157E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -1.970062094009708E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -1.970062094009708E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -1.970062094009708E-005
DAV:  42    -0.198673155446E+06    0.36318E+06   -0.21255E+04  1758   0.343E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   538.01474 new  502.47176
    0.160E+03
DAV:  43    -0.198325098631E+06    0.34806E+03   -0.38377E+04  1731   0.382E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   502.47176 new  476.02407
    0.175E+03
DAV:  44    -0.313828228006E+06   -0.11550E+06   -0.28437E+05  1911   0.422E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   476.02407 new  460.76778
    0.182E+03
DAV:  45    -0.174854296105E+06    0.13897E+06   -0.40198E+04  1836   0.455E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   460.76778 new  417.61435
    0.207E+03
DAV:  46    -0.249559575950E+07   -0.23207E+07   -0.77483E+06  1890   0.606E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   417.61435 new  358.80342
    0.230E+03
DAV:  47    -0.842824864247E+06    0.16528E+07   -0.81236E+05  1926   0.605E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   358.80342 new  357.53328
    0.260E+03
DAV:  48    -0.126406180763E+07   -0.42124E+06   -0.74327E+06  2019   0.620E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   357.53328 new  369.93181
    0.275E+03
DAV:  49    -0.376145611553E+07   -0.24974E+07   -0.28418E+07  2037   0.771E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   369.93181 new  345.55333
    0.269E+03
DAV:  50    -0.250998679536E+07    0.12515E+07   -0.64893E+04  2013   0.705E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   345.55333 new  393.86948
    0.282E+03
DAV:  51    -0.694751531065E+06    0.18152E+07   -0.43725E+04  2013   0.869E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   393.86948 new  377.49964
    0.291E+03
DAV:  52    -0.455569575755E+07   -0.38609E+07   -0.39799E+07  2121   0.843E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   377.49964 new  386.09261
    0.346E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  1.053625225291584E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  1.053625225291584E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  1.053625225291584E-004
DAV:  53    -0.864843360008E+06    0.36909E+07   -0.69513E+04  2040   0.817E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   386.09261 new  378.16754
    0.307E+03
DAV:  54    -0.899909313887E+06   -0.35066E+05   -0.24379E+06  2112   0.859E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   378.16754 new  403.07309
    0.324E+03
DAV:  55    -0.554922231004E+06    0.34499E+06   -0.16966E+05  2040   0.103E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   403.07309 new  341.35758
    0.302E+03
DAV:  56    -0.301614737723E+07   -0.24612E+07   -0.20944E+07  1761   0.763E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   341.35758 new  384.15273
    0.316E+03
DAV:  57    -0.200125926335E+07    0.10149E+07   -0.61403E+04  1743   0.922E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   384.15273 new  378.78135
    0.324E+03
DAV:  58    -0.104976257217E+07    0.95150E+06   -0.25105E+06  1662   0.862E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   378.78135 new  376.97793
    0.332E+03
DAV:  59    -0.155111864443E+07   -0.50136E+06   -0.51819E+04  1644   0.903E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   376.97793 new  386.95626
    0.301E+03
DAV:  60    -0.289090733240E+07   -0.13398E+07   -0.48125E+04  1671   0.794E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   386.95626 new  381.31044
    0.312E+03
DAV:  61    -0.441301651450E+07   -0.15221E+07   -0.41960E+07  2109   0.754E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   381.31044 new  357.37395
    0.374E+03
DAV:  62    -0.612408048894E+07   -0.17111E+07   -0.42742E+07  2121   0.715E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   357.37395 new  376.20296
    0.400E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  8.570162399125622E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  8.570162399125622E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  8.570162399125622E-005
DAV:  63    -0.415665341800E+07    0.19674E+07   -0.32538E+05  2031   0.743E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   376.20296 new  388.93489
    0.442E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  2.066957032099633E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  2.066957032099633E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  2.066957032099633E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -1.282715312099732E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -1.282715312099732E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -1.282715312099732E-005
DAV:  64    -0.307807432207E+06    0.38488E+07   -0.55730E+05  2082   0.101E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   388.93489 new  375.50953
    0.306E+03
DAV:  65    -0.677792117489E+06   -0.36998E+06   -0.17179E+05  2112   0.621E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   375.50953 new  388.67441
    0.430E+03
DAV:  66    -0.130397164261E+07   -0.62618E+06   -0.13356E+05  1902   0.803E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   388.67441 new  399.77880
    0.485E+03
DAV:  67    -0.807411133407E+07   -0.67701E+07   -0.44152E+07  2040   0.940E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   399.77880 new  398.70515
    0.511E+03
DAV:  68    -0.140826005084E+08   -0.60085E+07   -0.12704E+08  2109   0.984E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   398.70515 new  393.35786
    0.545E+03
DAV:  69    -0.231299879240E+07    0.11770E+08   -0.59316E+04  2004   0.886E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   393.35786 new  360.33089
    0.480E+03
DAV:  70    -0.584514679060E+07   -0.35321E+07   -0.13433E+07  2151   0.840E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   360.33089 new  369.77195
    0.474E+03
DAV:  71    -0.242782145082E+07    0.34173E+07   -0.34295E+05  2097   0.721E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   369.77195 new  389.45430
    0.533E+03
DAV:  72    -0.353037375449E+07   -0.11026E+07   -0.18342E+07  2193   0.868E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   389.45430 new  373.83383
    0.536E+03
DAV:  73    -0.741231071190E+07   -0.38819E+07   -0.57618E+07  2163   0.667E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   373.83383 new  393.28484
    0.600E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -2.538032226388570E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -2.538032226388570E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -2.538032226388570E-005
DAV:  74    -0.797853751660E+07   -0.56623E+06   -0.66463E+07  2172   0.904E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   393.28484 new  404.38858
    0.625E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -6.752016932731874E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -6.752016932731874E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -6.752016932731874E-005
DAV:  75    -0.150861579053E+07    0.64699E+07   -0.52252E+06  2268   0.875E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   404.38858 new  367.04830
    0.555E+03
DAV:  76    -0.652170808768E+08   -0.63708E+08   -0.62939E+05  1848   0.586E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   367.04830 new  361.46797
    0.516E+03
DAV:  77    -0.861387065241E+06    0.64356E+08   -0.69083E+04  1815   0.734E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   361.46797 new  401.56261
    0.346E+03
DAV:  78    -0.129760065693E+07   -0.43621E+06   -0.91310E+06  1596   0.787E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   401.56261 new  391.15040
    0.275E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.669790698623894E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.669790698623894E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.669790698623894E-004
DAV:  79    -0.839465969043E+06    0.45813E+06   -0.43502E+06  1620   0.789E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   391.15040 new  362.63085
    0.260E+03
DAV:  80    -0.553844604843E+07   -0.46990E+07   -0.72311E+04  1740   0.657E+02BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   362.63085 new  381.58458
    0.275E+03
DAV:  81    -0.257673676415E+08   -0.20229E+08   -0.66859E+07  1605   0.201E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   381.58458 new  399.76647
    0.455E+03
DAV:  82    -0.510774073361E+08   -0.25310E+08   -0.13685E+05  1590   0.186E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   399.76647 new  332.26245
    0.260E+03
DAV:  83    -0.932314443031E+08   -0.42154E+08   -0.36803E+07  1617   0.163E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   332.26245 new  348.03257
    0.100E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.215891159488227E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.215891159488227E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.215891159488227E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  8.176158927142418E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  8.176158927142418E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  8.176158927142418E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -9.754543948497925E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -9.754543948497925E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -9.754543948497925E-004
DAV:  84    -0.417920002053E+06    0.92814E+08   -0.19789E+05  1530   0.109E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   348.03257 new  424.92130
    0.291E+03
DAV:  85    -0.285923338834E+08   -0.28174E+08   -0.16181E+08  1677   0.119E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   424.92130 new  399.80929
    0.311E+03
DAV:  86    -0.504281001554E+08   -0.21836E+08   -0.11297E+08  1761   0.339E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   399.80929 new  415.71049
    0.381E+03
DAV:  87    -0.770592981698E+07    0.42722E+08   -0.79230E+05  1677   0.223E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   415.71049 new  401.06054
    0.230E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -0.657293080970080     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
   1.77825788051237     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -0.657293080970080     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
   1.77825788051237     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -0.657293080970080     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
   1.77825788051237     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  3.810438933807937E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  3.810438933807937E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  3.810438933807937E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.613910786677384E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.613910786677384E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.613910786677384E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -7.858096152693950E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -7.858096152693950E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -7.858096152693950E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  3.809009451597655E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  3.809009451597655E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  3.809009451597655E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  2.349238546266728E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  2.349238546266728E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  2.349238546266728E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -9.264129227955727E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -9.264129227955727E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -9.264129227955727E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -2.425202845029154E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -7.292158089412396E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -2.425202845029154E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -7.292158089412396E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -2.425202845029154E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -7.292158089412396E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  2.419143479207977E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  2.419143479207977E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  2.419143479207977E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  7.553980901836749E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  7.553980901836749E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  7.553980901836749E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.220818471668562E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -1.526313485267854E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.220818471668562E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -1.526313485267854E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.220818471668562E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -1.526313485267854E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -4.997625188466373E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -4.997625188466373E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -4.997625188466373E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -3.754308574467272E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -9.674164524937868E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -3.754308574467272E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -9.674164524937868E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -3.754308574467272E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -9.674164524937868E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -4.036323951552170E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -7.099895186370202E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -4.036323951552170E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -7.099895186370202E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -4.036323951552170E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -7.099895186370202E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -1.075933726970752E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -1.075933726970752E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -1.075933726970752E-002
DAV:  88    -0.192150218658E+12   -0.19214E+12   -0.19214E+12  2082   0.147E+05BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   401.06054 new  565.23314
    0.423E+03
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.489898892589012E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.888815124959375E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.489898892589012E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.888815124959375E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.489898892589012E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.888815124959375E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.363860948290253E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -3.020982743531059E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  3.133730205347453E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.363860948290253E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -3.020982743531059E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  3.133730205347453E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.363860948290253E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -3.020982743531059E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  3.133730205347453E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.369465100590582E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.369465100590582E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.369465100590582E-005
DAV:  89    -0.586616183796E+06    0.19215E+12   -0.15907E+05  1821   0.120E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   565.23314 new  458.38583
    0.322E+03
DAV:  90    -0.239656858797E+13   -0.23966E+13   -0.23643E+13  2217   0.180E+05BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   458.38583 new  541.70204
    0.197E+05
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -8.102105336360821E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -8.102105336360821E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -8.102105336360821E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.542361754962797E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -2.852937034585532E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.542361754962797E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -2.852937034585532E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.542361754962797E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -2.852937034585532E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.526945723130556E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.526945723130556E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.526945723130556E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -3.258377601280751E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -3.258377601280751E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -3.258377601280751E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.682006100904644E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
  8.027568725197900E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.682006100904644E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
  8.027568725197900E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  1.682006100904644E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
  8.027568725197900E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -1.393883118476169E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -1.393883118476169E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -1.393883118476169E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -1.398341051574836E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -1.398341051574836E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -1.398341051574836E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.630850539217204E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -8.382201657800245E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.630850539217204E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -8.382201657800245E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.630850539217204E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -8.382201657800245E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -7.793034700538308E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -8.202971842043437E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.444410770185294E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -5.609156017037817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -7.793034700538308E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -8.202971842043437E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.444410770185294E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -5.609156017037817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -7.793034700538308E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -8.202971842043437E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.444410770185294E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -5.609156017037817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -8.501419554764821E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -8.501419554764821E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -8.501419554764821E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.144122264753103E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.049340679348818E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.144122264753103E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.049340679348818E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.144122264753103E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.049340679348818E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.737489699298478E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.737489699298478E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.737489699298478E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.437790437309487E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.437790437309487E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.437790437309487E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  3.156116790077122E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.692847182795921E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  3.533355998059049E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.401759672138665E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.562587341012582E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  3.156116790077122E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.692847182795921E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  3.533355998059049E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.401759672138665E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.562587341012582E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  3.156116790077122E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.692847182795921E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  3.533355998059049E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.401759672138665E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.562587341012582E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.076632904776950E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -5.639669856796958E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.076632904776950E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -5.639669856796958E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.076632904776950E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -5.639669856796958E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           42
 -2.469911564306448E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           42
 -2.469911564306448E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           42
 -2.469911564306448E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.531538665805929E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.531538665805929E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.531538665805929E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           31
  2.265592784464516E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           31
  2.265592784464516E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           31
  2.265592784464516E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  4.787865349349980E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  4.787865349349980E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  4.787865349349980E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.576163025713041E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.576163025713041E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.576163025713041E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.582210487027403E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.582210487027403E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.582210487027403E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.342163849167682E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.342163849167682E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.342163849167682E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -5.394270341194394E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -5.394270341194394E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -5.394270341194394E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -8.284704323161188E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -8.284704323161188E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -8.284704323161188E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -8.064501094126806E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -2.103984986652183E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -8.064501094126806E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -2.103984986652183E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -8.064501094126806E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -2.103984986652183E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -1.591429775660721E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -1.591429775660721E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -1.591429775660721E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -8.136685353097114E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -8.136685353097114E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -8.136685353097114E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -5.069825164081547E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.397614090315454E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -5.069825164081547E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.397614090315454E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -5.069825164081547E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.397614090315454E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.336881646331272E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.336881646331272E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.336881646331272E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -5.059743702895553E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -5.059743702895553E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -5.059743702895553E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -2.638625286587632E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -2.638625286587632E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -2.638625286587632E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.751766602562233E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.751766602562233E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.751766602562233E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.165945224191893E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.165945224191893E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.165945224191893E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -5.303498163083236E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -5.303498163083236E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -5.303498163083236E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -2.616695872354575E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -2.616695872354575E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -2.616695872354575E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.064339556073236E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.064339556073236E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.064339556073236E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -2.906639479038723E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -2.906639479038723E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -2.906639479038723E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.099047002346374E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.099047002346374E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.099047002346374E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -4.855318057185047E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -4.855318057185047E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -4.855318057185047E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.300315989064404E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.300315989064404E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.300315989064404E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -7.879908354715772E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -7.879908354715772E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -7.879908354715772E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.147261803787331E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.147261803787331E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.147261803787331E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
  1.717787654457889E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
  1.717787654457889E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
  1.717787654457889E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  1.470884747605617E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  1.470884747605617E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  1.470884747605617E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.278055543173198E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.278055543173198E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.278055543173198E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  5.183508733625798E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  5.183508733625798E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  5.183508733625798E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -8.752643219347172E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -8.752643219347172E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -8.752643219347172E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.069116078407288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.069116078407288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.069116078407288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  6.025796625824076E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  6.025796625824076E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  6.025796625824076E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  5.966186565140823E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  5.966186565140823E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  5.966186565140823E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  4.090245257843345E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  4.090245257843345E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  4.090245257843345E-004
DAV:  91    -0.812798438229E+07    0.23966E+13   -0.89513E+05  1713   0.730E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   541.70204 new  463.01631
    0.642E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  1.746822826247801E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  1.746822826247801E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  1.746822826247801E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
  6.460420642738282E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
  6.460420642738282E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
  6.460420642738282E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.286565006941219E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.087463918291912E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.286565006941219E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.087463918291912E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.286565006941219E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.087463918291912E-002
DAV:  92    -0.304907018257E+09   -0.29678E+09   -0.19863E+09  1728   0.237E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   463.01631 new  466.31823
    0.511E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -0.330289533992147     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -0.330289533992147     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -0.330289533992147     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -6.893387701028859E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -6.893387701028859E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -6.893387701028859E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  0.138335419062467     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           31
  0.520625598554750     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           32
  0.667978852107027     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  0.138335419062467     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           31
  0.520625598554750     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           32
  0.667978852107027     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  0.138335419062467     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           31
  0.520625598554750     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           32
  0.667978852107027     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           39
  0.206904760761563     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           41
  0.642339739464596     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           39
  0.206904760761563     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           41
  0.642339739464596     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           39
  0.206904760761563     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           41
  0.642339739464596     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.503154533707232E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.503154533707232E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.503154533707232E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
 -8.059369180740519E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
 -8.059369180740519E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
 -8.059369180740519E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.216478656120957E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.216478656120957E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.216478656120957E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -0.184192400621871     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -0.184192400621871     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -0.184192400621871     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.725079546035290E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.725079546035290E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.725079546035290E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.110904363647444E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.110904363647444E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.110904363647444E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  0.829854720231008     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  0.302324168396697     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  0.829854720231008     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  0.302324168396697     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  0.829854720231008     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  0.302324168396697     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
   1.44705927456794     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
   1.44705927456794     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
   1.44705927456794     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  -2.47129890805033     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  -2.47129890805033     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  -2.47129890805033     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  -53.1559840668061     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  -53.1559840668061     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  -53.1559840668061     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  -49.1525271629812     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  -49.1525271629812     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  -49.1525271629812     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           45
  5.396172717161069E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           45
  5.396172717161069E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           45
  5.396172717161069E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.099023328803962E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.099023328803962E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.099023328803962E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -4.595590879055094E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -4.595590879055094E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -4.595590879055094E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -3.937868772488604E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -3.937868772488604E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -3.937868772488604E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.156707598525474E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.797201244760076E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.156707598525474E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.797201244760076E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.156707598525474E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.797201244760076E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.649192118036964E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.649192118036964E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.649192118036964E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.452051263735822E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.452051263735822E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.452051263735822E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.683439986300620E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  7.790315358490962E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.683439986300620E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  7.790315358490962E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.683439986300620E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  7.790315358490962E-005
DAV:  93    -0.119614760289E+12   -0.11931E+12   -0.10577E+12  2355   0.711E+04BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   466.31823 new  578.35187
    0.492E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.446268061730689E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.446268061730689E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.446268061730689E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.020519302643299E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.020519302643299E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.020519302643299E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.940346647494121E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.940346647494121E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.940346647494121E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.567838951117389E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.567838951117389E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.567838951117389E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  8.792674093744208E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  8.792674093744208E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  8.792674093744208E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.134127931563402E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.134127931563402E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.134127931563402E-005
DAV:  94    -0.342966357409E+09    0.11927E+12   -0.84357E+08  1746   0.281E+04BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   578.35187 new  490.06363
    0.123E+05
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
  -14.4809075744230     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
   1.82749093940515     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
  -14.4809075744230     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
   1.82749093940515     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
  -14.4809075744230     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
   1.82749093940515     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
   1.24219782587267     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
   1.24219782587267     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
   1.24219782587267     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.318236363289105E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.318236363289105E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.318236363289105E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.533786538388562E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.533786538388562E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.533786538388562E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.523841344391275E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.523841344391275E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.523841344391275E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.873952285881830E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.873952285881830E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.873952285881830E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.022239625077009E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.022239625077009E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.022239625077009E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  0.107739747443938     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.635168867853506     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  0.107739747443938     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.635168867853506     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  0.107739747443938     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.635168867853506     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -5.939845112179117E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.331870208736088     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -5.939845112179117E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.331870208736088     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -5.939845112179117E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.331870208736088     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -0.972092921656451     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -0.972092921656451     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -0.972092921656451     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  -1.91280762598695     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -0.451541093907425     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -0.722733872865099     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  -1.91280762598695     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -0.451541093907425     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -0.722733872865099     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  -1.91280762598695     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -0.451541093907425     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -0.722733872865099     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  0.203155635688067     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  0.203155635688067     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  0.203155635688067     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.182684583952401E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.182684583952401E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.182684583952401E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  -1.15550271456311     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  -1.15550271456311     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  -1.15550271456311     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -0.576579009656658     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  -2.90040047938234     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -0.576579009656658     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  -2.90040047938234     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -0.576579009656658     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  -2.90040047938234     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -0.749502804949233     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -0.749502804949233     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -0.749502804949233     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -0.179419788355782     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -0.179419788355782     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -0.179419788355782     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.260704013865004     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.260704013865004     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -0.260704013865004     
DAV:  95    -0.157430418896E+12   -0.15709E+12   -0.15598E+12  2226   0.286E+05BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   490.06363 new  571.90608
    0.315E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -9.515217278006151E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -9.515217278006151E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -9.515217278006151E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.335330251496615E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.335330251496615E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.335330251496615E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.029657351795885E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.029657351795885E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.029657351795885E-004
DAV:  96    -0.162430654129E+07    0.15743E+12   -0.40273E+06  2091   0.779E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   571.90608 new  503.63031
    0.340E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.745368371140526E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.745368371140526E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.745368371140526E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
 -8.537214926581635E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
 -8.537214926581635E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
 -8.537214926581635E-002
DAV:  97    -0.502331287278E+13   -0.50233E+13   -0.24567E+13  2433   0.258E+05BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   503.63031 new  553.45839
    0.391E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -5.247113632649086E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -5.247113632649086E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -5.247113632649086E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -5.231116220936793E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -5.231116220936793E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -5.231116220936793E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -8.366172388923664E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.734803903316340E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -3.859610800950615E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -8.366172388923664E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.734803903316340E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -3.859610800950615E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -8.366172388923664E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.734803903316340E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -3.859610800950615E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -2.587294328694392E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -1.069339925753313E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -2.587294328694392E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -1.069339925753313E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -2.587294328694392E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -1.069339925753313E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.607773165137076E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.607773165137076E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.607773165137076E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -3.704195808694519E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -3.704195808694519E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -3.704195808694519E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
 -1.951653190124778E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
 -1.951653190124778E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
 -1.951653190124778E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.805976393874217E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.632755334743086E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.805976393874217E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.632755334743086E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.805976393874217E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.632755334743086E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.609087116104971E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  6.671580519840075E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.609087116104971E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  6.671580519840075E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.609087116104971E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  6.671580519840075E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -5.246014313166518E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -5.340265818952551E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -5.246014313166518E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -5.340265818952551E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -5.246014313166518E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -5.340265818952551E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -3.943343662496245E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -3.943343662496245E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -3.943343662496245E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -2.972392662320354E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -2.972392662320354E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -2.972392662320354E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.301716627947834E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.651565780749754E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -9.350272104151374E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.301716627947834E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.651565780749754E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -9.350272104151374E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.301716627947834E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.651565780749754E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -9.350272104151374E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -2.093686050612418E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  1.704868559010558E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -2.093686050612418E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  1.704868559010558E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -2.093686050612418E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  1.704868559010558E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  9.379681274551100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  9.379681274551100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  9.379681274551100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.592906762040354E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.592906762040354E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.592906762040354E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.317025744500447E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.685313378225583E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.136369190665987E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.317025744500447E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.685313378225583E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.136369190665987E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.317025744500447E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.685313378225583E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.136369190665987E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  4.750580353206571E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -5.879076047714599E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  4.750580353206571E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -5.879076047714599E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  4.750580353206571E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -5.879076047714599E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -2.231987189453233E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -2.231987189453233E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -2.231987189453233E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -5.916494612193930E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -5.916494612193930E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -5.916494612193930E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -4.512378150222434E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.625237277378418E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -4.512378150222434E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.625237277378418E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -4.512378150222434E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.625237277378418E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  4.814807189745109E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.547894688410723E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.721910203311889E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -9.221703865758846E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  4.814807189745109E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.547894688410723E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.721910203311889E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -9.221703865758846E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  4.814807189745109E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.547894688410723E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.721910203311889E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -9.221703865758846E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.373151582538297E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.373151582538297E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.373151582538297E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.072661628480817E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  4.415511502812288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -6.696200393351100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.072661628480817E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  4.415511502812288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -6.696200393351100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.072661628480817E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  4.415511502812288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -6.696200393351100E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -5.690983626200469E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  3.235652775931796E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -5.690983626200469E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  3.235652775931796E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -5.690983626200469E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  3.235652775931796E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  6.056839186234636E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.433998323786767E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.715581036896350E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  6.056839186234636E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.433998323786767E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.715581036896350E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  6.056839186234636E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.433998323786767E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.715581036896350E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.314868362195167E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.032869175246605E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -6.057113912851417E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.545654983635018E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.314868362195167E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.032869175246605E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -6.057113912851417E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.545654983635018E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.314868362195167E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.032869175246605E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -6.057113912851417E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.545654983635018E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -5.651476237446610E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.328463218437381E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -5.558416713820593E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -5.651476237446610E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.328463218437381E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -5.558416713820593E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -5.651476237446610E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.328463218437381E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -5.558416713820593E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -2.391771493670980E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.191019614238542E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -2.391771493670980E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.191019614238542E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
 -2.391771493670980E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.191019614238542E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  5.817030170251718E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -5.793990861378650E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  7.607537718547244E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.579623067837518E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  3.515581812183959E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.002405941429454E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -4.996946484138094E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  5.817030170251718E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -5.793990861378650E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  7.607537718547244E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.579623067837518E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  3.515581812183959E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.002405941429454E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -4.996946484138094E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  5.817030170251718E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -5.793990861378650E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  7.607537718547244E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  1.579623067837518E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  3.515581812183959E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.002405941429454E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -4.996946484138094E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -9.464020309533494E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.184709045828398E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -9.464020309533494E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.184709045828398E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -9.464020309533494E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.184709045828398E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.178538752442799E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.284936477523670E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.178538752442799E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.284936477523670E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.178538752442799E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.284936477523670E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.011689661887702E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -3.961288042036466E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.011689661887702E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -3.961288042036466E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.011689661887702E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -3.961288042036466E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.456572470631776E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  5.647009985282887E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  3.254428186068370E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.456572470631776E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  5.647009985282887E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  3.254428186068370E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.456572470631776E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  5.647009985282887E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  3.254428186068370E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
 -1.170330749923314E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
 -1.170330749923314E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
 -1.170330749923314E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.115624154378020E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.115624154378020E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -1.115624154378020E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -7.880925705374894E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -7.880925705374894E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -7.880925705374894E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  4.024764028848710E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -5.114574440719150E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.426580439897089E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  4.024764028848710E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -5.114574440719150E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.426580439897089E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  4.024764028848710E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -5.114574440719150E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.426580439897089E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.647357091601702E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -3.076008612582431E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.647357091601702E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -3.076008612582431E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  1.647357091601702E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -3.076008612582431E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -3.211184468782345E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  4.601346837104013E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -3.211184468782345E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  4.601346837104013E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -3.211184468782345E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  4.601346837104013E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.280303077146259E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.280303077146259E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.280303077146259E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  2.349603296447620E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.691353229287612E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.160993169904197E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  2.349603296447620E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.691353229287612E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.160993169904197E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  2.349603296447620E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.691353229287612E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.160993169904197E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -3.217891867273050E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -3.217891867273050E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           21
 -3.217891867273050E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.088432574687104E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.088432574687104E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.088432574687104E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.035883495143949E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -5.238552476155707E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -5.851304528484387E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.035883495143949E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -5.238552476155707E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -5.851304528484387E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.035883495143949E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -5.238552476155707E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -5.851304528484387E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.303077387746406E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.985258154275112E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.212034398154761E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.123448013052863E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.303077387746406E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.985258154275112E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.212034398154761E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.123448013052863E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.303077387746406E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.985258154275112E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.212034398154761E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.123448013052863E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -9.547099923161137E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.116675620212362E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -9.547099923161137E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.116675620212362E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -9.547099923161137E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.116675620212362E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -4.344115254487692E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.542237129386431E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -4.344115254487692E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.542237129386431E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -4.344115254487692E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.542237129386431E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.122650136286961E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.122650136286961E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.122650136286961E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
 -2.110479570150539E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
 -2.110479570150539E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
 -2.110479570150539E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -6.703197363538288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  4.014101154020994E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  7.602292999493624E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  8.589721806902416E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -6.703197363538288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  4.014101154020994E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  7.602292999493624E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  8.589721806902416E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -6.703197363538288E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  4.014101154020994E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  7.602292999493624E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  8.589721806902416E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           39
 -2.144769685993163E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           39
 -2.144769685993163E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           39
 -2.144769685993163E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.131972978865037E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.609719926888916E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  8.950419345266016E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.017260027297333E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.131972978865037E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.609719926888916E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  8.950419345266016E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.017260027297333E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.131972978865037E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.609719926888916E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  8.950419345266016E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.017260027297333E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  5.138056592310361E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  5.138056592310361E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  5.138056592310361E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  6.716304845544999E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.075821357549638E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  6.716304845544999E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.075821357549638E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  6.716304845544999E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.075821357549638E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  8.110098527472734E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  8.110098527472734E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  8.110098527472734E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  8.900132112223607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  8.900132112223607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  8.900132112223607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  2.506651067131035E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  1.482608935615264E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  2.506651067131035E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  1.482608935615264E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  2.506651067131035E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  1.482608935615264E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.111809975351650E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.111809975351650E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -5.111809975351650E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  7.411414746743738E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  7.411414746743738E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  7.411414746743738E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  5.889027451433469E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.718035763128079E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  5.889027451433469E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.718035763128079E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  5.889027451433469E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.718035763128079E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  3.236807751536313E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  1.292762595979446E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  3.236807751536313E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  1.292762595979446E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
  3.236807751536313E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  1.292762595979446E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -2.787243996735982E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -2.787243996735982E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -2.787243996735982E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.741228569214586E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.164067634451701E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.741228569214586E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.164067634451701E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.741228569214586E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.164067634451701E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -6.765056744450359E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.350955640076928E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -6.765056744450359E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.350955640076928E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -6.765056744450359E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  5.350955640076928E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.424879713402932E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.424879713402932E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.424879713402932E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  9.596504909667107E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  9.596504909667107E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  9.596504909667107E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.082208300709346E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.082208300709346E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.082208300709346E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -2.043843602517195E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.766940205870408E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -2.043843602517195E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.766940205870408E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -2.043843602517195E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.766940205870408E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.427288393149869E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.427288393149869E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.427288393149869E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.365537790386763E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.365537790386763E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.365537790386763E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  2.198080447358617E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  2.198080447358617E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
  2.198080447358617E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  4.310879038988651E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  4.310879038988651E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           30
  4.310879038988651E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  3.498999334370498E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.959006690747149E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  3.498999334370498E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.959006690747149E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  3.498999334370498E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.959006690747149E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.488449656733172E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.488449656733172E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.488449656733172E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  2.360870995910700E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  2.360870995910700E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  2.360870995910700E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.694773473304805E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -6.814180260905957E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.694773473304805E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -6.814180260905957E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  2.694773473304805E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -6.814180260905957E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.009814286118409E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -7.853580797320853E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.779735705534213E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.009814286118409E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -7.853580797320853E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.779735705534213E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.009814286118409E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -7.853580797320853E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.779735705534213E-005
DAV:  98    -0.388390857786E+06    0.50233E+13   -0.39625E+05  2019   0.198E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   553.45839 new  567.21644
    0.163E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.127903361637256E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.127903361637256E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.127903361637256E-004
DAV:  99    -0.123192929422E+09   -0.12280E+09   -0.11733E+09  1713   0.127E+04BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   567.21644 new  478.79898
    0.588E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.189908197372728E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  8.144093090256717E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.189908197372728E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  8.144093090256717E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.189908197372728E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  8.144093090256717E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
   3.53992477008594     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
   3.53992477008594     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
   3.53992477008594     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  0.102441556746971     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  0.102441556746971     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  0.102441556746971     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
   2.16452963998047     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
   2.16452963998047     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
   2.16452963998047     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.080549639691234E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.495744222590514E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.080549639691234E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.495744222590514E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.080549639691234E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.495744222590514E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  9.402797584114922E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  9.402797584114922E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  9.402797584114922E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  9.334254405848806E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  9.334254405848806E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
  9.334254405848806E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -2.018813839760876E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -1.283137487089983E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  6.014440673774556E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -2.018813839760876E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -1.283137487089983E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  6.014440673774556E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -2.018813839760876E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -1.283137487089983E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  6.014440673774556E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
  9.040387806006753E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
  9.040387806006753E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
  9.040387806006753E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
  7.564364845613298E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
  7.564364845613298E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
  7.564364845613298E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  4.105583495314872E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  4.105583495314872E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  4.105583495314872E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
  5.745919873977817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
  5.745919873977817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
  5.745919873977817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  5.933960807284563E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  5.933960807284563E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  5.933960807284563E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  5.572746130167060E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  5.572746130167060E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  5.572746130167060E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -4.502965652011237E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -4.502965652011237E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -4.502965652011237E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.708778000515120E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -3.735859989513931E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.708778000515120E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -3.735859989513931E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.708778000515120E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -3.735859989513931E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  6.776795289339508E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  6.776795289339508E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
  6.776795289339508E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  1.390516455353778E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  1.390516455353778E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
  1.390516455353778E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.123454323170867E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.508263637103333E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.123454323170867E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.508263637103333E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.123454323170867E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.508263637103333E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.320734083795162E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.320734083795162E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.320734083795162E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.319845018618807E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.314795602242774E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.356932714239598E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.319845018618807E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.314795602242774E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.356932714239598E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.319845018618807E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.314795602242774E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.356932714239598E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  3.134920284314143E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  3.134920284314143E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  3.134920284314143E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.902672243463687E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.902672243463687E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.902672243463687E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.276657995088339E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.953542750891798E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.276657995088339E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.953542750891798E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.276657995088339E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.953542750891798E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -7.141238180914878E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -7.141238180914878E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -7.141238180914878E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.756966465346243E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.756966465346243E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.756966465346243E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  0.144987107680103     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  0.144987107680103     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  0.144987107680103     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -0.436783108766783     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -0.436783108766783     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -0.436783108766783     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.890296248533754E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.890296248533754E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -3.890296248533754E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -1.290504414539801E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -1.290504414539801E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
 -1.290504414539801E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.476430522385440E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.476430522385440E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.476430522385440E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.935500259387539E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.182292734001609E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.935500259387539E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.182292734001609E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.935500259387539E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.182292734001609E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.575207356522746E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.575207356522746E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.575207356522746E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.925591576145249E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.925591576145249E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.925591576145249E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.100610106853133E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.100610106853133E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.100610106853133E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  5.245663705127817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  5.245663705127817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
  5.245663705127817E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -6.339167568822512E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -6.339167568822512E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -6.339167568822512E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.079620375629970E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.079620375629970E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -5.079620375629970E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.458381407189660E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.458381407189660E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
 -1.458381407189660E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  3.105060495898853E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  3.105060495898853E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  3.105060495898853E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -6.014645522971289E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -4.060436377395159E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -6.014645522971289E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -4.060436377395159E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           12
 -6.014645522971289E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
 -4.060436377395159E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.658214008280260E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.658214008280260E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.658214008280260E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -1.254619598684503E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -1.254619598684503E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
 -1.254619598684503E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  2.483155297245899E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  2.483155297245899E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
  2.483155297245899E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.017531599244696E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.017531599244696E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
 -1.017531599244696E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -3.643606341761125E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -3.643606341761125E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -3.643606341761125E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
 -6.308806640394646E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
 -6.308806640394646E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           23
 -6.308806640394646E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -8.787690926018424E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -8.787690926018424E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -8.787690926018424E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.136111016745484E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.524305469989592E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.152389308734809E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.136111016745484E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.524305469989592E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.152389308734809E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.136111016745484E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -2.524305469989592E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.152389308734809E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.282273241725288E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.282273241725288E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           15
 -3.282273241725288E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -4.368544718091368E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -4.368544718091368E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -4.368544718091368E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -4.064690493763025E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -4.064690493763025E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -4.064690493763025E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.414484273676962E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.601546539493090E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.414484273676962E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.601546539493090E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.414484273676962E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
 -1.601546539493090E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -4.910678860076774E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -4.910678860076774E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           26
 -4.910678860076774E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.223300387133558E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.223300387133558E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.223300387133558E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  8.775060038557689E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  8.775060038557689E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  8.775060038557689E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -8.082553207250973E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -8.082553207250973E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -8.082553207250973E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.258763745064439E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.620447995726007E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.258763745064439E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.620447995726007E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  1.258763745064439E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.620447995726007E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.641398206849198E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.641398206849198E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
 -1.641398206849198E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  3.513403267287738E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.232513152135900E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.003841075714285E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  3.513403267287738E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.232513152135900E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.003841075714285E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  3.513403267287738E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.232513152135900E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.003841075714285E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -2.677271787176039E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -2.677271787176039E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           24
 -2.677271787176039E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.270527636450980E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.270527636450980E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV           11
 -1.270527636450980E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  5.287302375448539E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  5.287302375448539E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  5.287302375448539E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  0.558696992949484     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  0.558696992949484     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  0.558696992949484     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  5.760602753656920E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  0.790230604835521     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  5.760602753656920E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  0.790230604835521     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  5.760602753656920E-002
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  0.790230604835521     
DAV: 100    -0.107795075197E+09    0.15398E+08   -0.10538E+09  1560   0.971E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   478.79898 new  570.73323
    0.103E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  -12.5826574495529     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  -12.5826574495529     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  -12.5826574495529     
DAV: 101    -0.479392894898E+10   -0.46861E+10   -0.47406E+10  1560   0.693E+05BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   570.73323 new  531.99390
    0.145E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.522831022698607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.522831022698607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.522831022698607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.319183709539184E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.319183709539184E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -1.319183709539184E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  3.003505472881502E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  2.318952674959059E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  3.003505472881502E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  2.318952674959059E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           16
  3.003505472881502E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  2.318952674959059E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -6.628236787513397E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -6.628236787513397E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
 -6.628236787513397E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -3.365618061887987E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -3.365618061887987E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           22
 -3.365618061887987E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.528065988765903E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.528065988765903E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.528065988765903E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -1.643538255846069E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -1.643538255846069E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           13
 -1.643538255846069E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.051637413099576E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.971599544929218E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.051637413099576E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.971599544929218E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -6.051637413099576E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.971599544929218E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.083766614740585E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.083766614740585E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.083766614740585E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  7.744556183956024E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  7.744556183956024E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV           17
  7.744556183956024E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -4.118781374587705E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -4.118781374587705E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -4.118781374587705E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.324638989580238E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.324638989580238E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  5.324638989580238E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.753748992973626E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.779099680253584E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.753748992973626E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.779099680253584E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  2.753748992973626E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.779099680253584E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.447079745220499E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.447079745220499E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.447079745220499E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.851790438979594E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.851790438979594E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -1.851790438979594E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.068379462181362E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.330827087986690E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.068379462181362E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.330827087986690E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.068379462181362E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.330827087986690E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.755512660360970E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.279202075924384E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.755512660360970E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.279202075924384E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.755512660360970E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -2.279202075924384E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.815460741115508E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.815460741115508E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.815460741115508E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  4.454299091490928E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  4.454299091490928E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  4.454299091490928E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.118437239986221E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.118437239986221E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.118437239986221E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.019555933898655E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.777866367182748E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.019555933898655E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.777866367182748E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -2.019555933898655E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.777866367182748E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.010541627823895E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  4.549141763916551E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.010541627823895E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  4.549141763916551E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.010541627823895E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  4.549141763916551E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.654784845255966E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.654784845255966E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.654784845255966E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.795958675351503E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.421486294776534E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.795958675351503E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.421486294776534E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -3.795958675351503E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.421486294776534E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.452743981830542E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.452743981830542E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.452743981830542E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.967078150309680E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.967078150309680E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.967078150309680E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -6.302761306372442E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -6.302761306372442E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -6.302761306372442E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  2.068481186799664E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  2.068481186799664E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           14
  2.068481186799664E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.473323017705751E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.473323017705751E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -3.473323017705751E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  5.792389203244119E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  5.792389203244119E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  5.792389203244119E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -2.256566477580391E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -2.256566477580391E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -2.256566477580391E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -4.792704350256589E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -4.792704350256589E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -4.792704350256589E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.500360135572437E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.500360135572437E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  1.500360135572437E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.317806193100546E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.462570313730136E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.317806193100546E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.462570313730136E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.317806193100546E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.462570313730136E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -2.157016462186870E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -2.157016462186870E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -2.157016462186870E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.121447263922851E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.121447263922851E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.121447263922851E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.096567373258911E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.223156824391559E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.096567373258911E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.223156824391559E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.096567373258911E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.223156824391559E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.265243710286103E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.265243710286103E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.265243710286103E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.429690106800434E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.296629467551688E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.429690106800434E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.296629467551688E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.429690106800434E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.296629467551688E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.274270459587990E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.999738314108651E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.274270459587990E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.999738314108651E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -1.274270459587990E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -1.999738314108651E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.998321663481505E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.998321663481505E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.998321663481505E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.027577940531845E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.027577940531845E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -2.027577940531845E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.321024146111813E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.321024146111813E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.321024146111813E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -2.373097815301715E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -2.373097815301715E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -2.373097815301715E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.070948506286940E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.070948506286940E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -1.070948506286940E-005
DAV: 102    -0.708799904939E+06    0.47932E+10   -0.13368E+06  1821   0.162E+03BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   531.99390 new  507.08534
    0.255E+04
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  0.174369743403218     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  0.174369743403218     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  0.174369743403218     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
   11.3722513773757     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
   11.3722513773757     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           10
   11.3722513773757     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
   12.4433589223417     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
   12.4433589223417     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           19
   12.4433589223417     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           28
   13.0364766248168     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           28
   13.0364766248168     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           28
   13.0364766248168     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           37
   13.4192376396331     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           37
   13.4192376396331     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           37
   13.4192376396331     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  0.504709903180410     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
   1.53561031854163     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  0.504709903180410     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
   1.53561031854163     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           20
  0.504709903180410     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
   1.53561031854163     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           28
   1.02464592830087     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
   1.63950828276603     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
   1.79983969314028     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           28
   1.02464592830087     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
   1.63950828276603     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
   1.79983969314028     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           28
   1.02464592830087     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
   1.63950828276603     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
   1.79983969314028     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           37
  0.767385762265951     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           38
   1.61403271097888     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           43
   1.93895268639043     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           37
  0.767385762265951     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           38
   1.61403271097888     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           43
   1.93895268639043     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           37
  0.767385762265951     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           38
   1.61403271097888     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           43
   1.93895268639043     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
   1.21058842387076     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
   1.21058842387076     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           29
   1.21058842387076     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           38
   1.92391347166196     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           38
   1.92391347166196     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           38
   1.92391347166196     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -6.448553455826251E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -6.448553455826251E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -6.448553455826251E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  8.592739531303462E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -8.328751236772220E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  8.592739531303462E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -8.328751236772220E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  8.592739531303462E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -8.328751236772220E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -8.488847008826196E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -8.488847008826196E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -8.488847008826196E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.398710173080944E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  6.251348615342973E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.398710173080944E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  6.251348615342973E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -4.398710173080944E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  6.251348615342973E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.278681669072992E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.278681669072992E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -4.278681669072992E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -3.467013454713914E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -3.467013454713914E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -3.467013454713914E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.617739533673975E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  7.173395345631047E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.617739533673975E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  7.173395345631047E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.617739533673975E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  7.173395345631047E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.076217857594980E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -2.827278043108054E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  2.024231675440573E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.408183581197419E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.076217857594980E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -2.827278043108054E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  2.024231675440573E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.408183581197419E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  2.076217857594980E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -2.827278043108054E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  2.024231675440573E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.408183581197419E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.372357584196547E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.367265485702662E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.197685211965419E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  2.006228758558394E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.372357584196547E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.367265485702662E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.197685211965419E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  2.006228758558394E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  2.372357584196547E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.367265485702662E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -2.197685211965419E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  2.006228758558394E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.406208907187539E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  4.449558290908372E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  6.632299028546882E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.406208907187539E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  4.449558290908372E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  6.632299028546882E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -3.406208907187539E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  4.449558290908372E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  6.632299028546882E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  5.612267622903327E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.611284475213355E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  5.612267622903327E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.611284475213355E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  5.612267622903327E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.611284475213355E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  6.723039226784637E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  6.723039226784637E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  6.723039226784637E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -7.778106738130860E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -7.778106738130860E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -7.778106738130860E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  6.121845427458602E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  4.571969315974316E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  6.121845427458602E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  4.571969315974316E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
  6.121845427458602E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  4.571969315974316E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.892899329950819E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.892899329950819E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  8.892899329950819E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -5.099440020900782E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -5.099440020900782E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
 -5.099440020900782E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.642861928775918E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.642861928775918E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.642861928775918E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.101854028989988E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.101854028989988E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
  1.101854028989988E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.108807985673568E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.108807985673568E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
 -1.108807985673568E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  -2.12071147122926     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  -2.12071147122926     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           18
  -2.12071147122926     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  -5.21119215361580     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
  -5.58245285404256     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  -5.21119215361580     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
  -5.58245285404256     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           25
  -5.21119215361580     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           27
  -5.58245285404256     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
  -5.78367699529488     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           36
  -7.85245272894760     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
  -5.78367699529488     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           36
  -7.85245272894760     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           34
  -5.78367699529488     
 WARNING: Sub-Space-Matrix is not hermitian in DAV           36
  -7.85245272894760     
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.437883457967567E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.437883457967567E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  1.437883457967567E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  8.346390309428359E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  8.346390309428359E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  8.346390309428359E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -9.175378929444607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -6.048381754061692E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -9.175378929444607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -6.048381754061692E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -9.175378929444607E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -6.048381754061692E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -3.750515667160519E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -3.750515667160519E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -3.750515667160519E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.586996123802846E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  2.862371108070177E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.586996123802846E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  2.862371108070177E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
 -1.586996123802846E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  2.862371108070177E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -2.786346148337112E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -2.786346148337112E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            3
 -2.786346148337112E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.912478952085682E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.912478952085682E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
  1.912478952085682E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.784213629230371E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.784213629230371E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
 -1.784213629230371E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  7.969414209221852E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.440431726126674E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  7.969414209221852E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.440431726126674E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            2
  7.969414209221852E-005
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
  1.440431726126674E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.303125168974859E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.733234027836249E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.303125168974859E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.733234027836249E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -2.303125168974859E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            7
 -1.733234027836249E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  5.490741697446012E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  5.490741697446012E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            8
  5.490741697446012E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -4.072085109894701E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  3.169426198996108E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -5.646397749907639E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -4.072085109894701E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  3.169426198996108E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -5.646397749907639E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            1
 -4.072085109894701E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  3.169426198996108E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            5
 -5.646397749907639E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.281301953194689E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.281301953194689E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            4
  4.281301953194689E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.058142700607901E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.058142700607901E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            9
  1.058142700607901E-003
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -4.493862550625628E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -4.493862550625628E-004
 WARNING: Sub-Space-Matrix is not hermitian in DAV            6
 -4.493862550625628E-004
DAV: 103    -0.372375241443E+13   -0.37238E+13   -0.37053E+13  2604   0.673E+04BRMIX: very serious problems
 the old and the new charge density differ
 old charge density:   507.08534 new  636.84392
    0.246E+06
 -----------------------------------------------------------------------------
|                                                                             |
|     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 : 4827                                     |
|                                                                             |
|       ---->  I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <----       |
|                                                                             |
 -----------------------------------------------------------------------------

*****************************
Error running VASP parallel with MPI

#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/172.16.0.58-32000-task173579"
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 3 "/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64/vasp_gpu"

1
1
1
*****************************