 ----------------------------------------------------
    OOO  PPPP  EEEEE N   N M   M PPPP
   O   O P   P E     NN  N MM MM P   P
   O   O PPPP  EEEEE N N N M M M PPPP   -- VERSION
   O   O P     E     N  NN M   M P
    OOO  P     EEEEE N   N M   M P
 ----------------------------------------------------
 running  256 mpi-ranks, with    1 threads/rank
 distrk:  each k-point on   64 cores,    4 groups
 distr:  one band on    1 cores,   64 groups
 vasp.6.3.2 27Jun22 (build Jun 30 2023 15:13:53) complex                         
 POSCAR found type information on POSCAR CuO 
 POSCAR found :  2 types and       2 ions
 Reading from existing POTCAR
 scaLAPACK will be used
 Reading from existing POTCAR
 LDA part: xc-table for Pade appr. of Perdew
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 -----------------------------------------------------------------------------
|                                                                             |
|           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 number of bands has been changed from the values supplied in        |
|     the INCAR file. This is a result of running the parallel version.       |
|     The orbitals not found in the WAVECAR file will be initialized with     |
|     random numbers, which is usually adequate. For correlated               |
|     calculations, however, you should redo the groundstate calculation.     |
|     I found NBANDS = 16. Now, NBANDS = 64.                                  |
|                                                                             |
 -----------------------------------------------------------------------------

 INCAR ok, starting setup
 POSCAR ok, starting setup
 FFT: planning ... GRIDC
 FFT: planning ... GRID_SOFT
 FFT: planning ... GRID
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.339460895183E+01   -0.33946E+01   -0.10867E+04 72960   0.445E+02
DAV:   2    -0.539502576455E+01   -0.20004E+01   -0.19779E+01 54976   0.136E+01
DAV:   3    -0.539600445307E+01   -0.97869E-03   -0.97868E-03 89472   0.309E-01
DAV:   4    -0.539600445751E+01   -0.44442E-08   -0.40148E-08 58432   0.282E-04
DAV:   5    -0.539600445685E+01    0.66154E-09    0.96604E-13 87360   0.245E-07    0.270E+01
RMM:   6    -0.975475326640E+01   -0.43587E+01   -0.45004E-01 49921   0.227E+00    0.118E+01
RMM:   7    -0.815086396167E+01    0.16039E+01   -0.81460E-02 50358   0.989E-01    0.144E+00
RMM:   8    -0.816084186707E+01   -0.99779E-02   -0.18396E-02 49981   0.478E-01    0.709E-01
RMM:   9    -0.815692500576E+01    0.39169E-02   -0.90853E-03 50314   0.336E-01    0.681E-01
RMM:  10    -0.816478172530E+01   -0.78567E-02   -0.11134E-03 50327   0.117E-01    0.175E-01
RMM:  11    -0.816560740613E+01   -0.82568E-03   -0.14853E-04 50355   0.393E-02    0.194E-01
RMM:  12    -0.816651110216E+01   -0.90370E-03   -0.37407E-05 50658   0.205E-02    0.217E-01
RMM:  13    -0.816891693054E+01   -0.24058E-02   -0.55666E-05 50657   0.257E-02    0.356E-01
RMM:  14    -0.816609153050E+01    0.28254E-02   -0.74213E-05 50560   0.314E-02    0.178E-01
RMM:  15    -0.816427853934E+01    0.18130E-02   -0.80545E-05 50672   0.309E-02    0.190E-01
RMM:  16    -0.816166873728E+01    0.26098E-02   -0.17372E-04 50754   0.446E-02    0.222E-01
RMM:  17    -0.816289365681E+01   -0.12249E-02   -0.26818E-05 50553   0.193E-02    0.181E-01
RMM:  18    -0.816591709453E+01   -0.30234E-02   -0.17742E-04 50620   0.471E-02    0.200E-01
RMM:  19    -0.818314041853E+01   -0.17223E-01   -0.11875E-03 50781   0.118E-01    0.753E-01
RMM:  20    -0.819045972684E+01   -0.73193E-02   -0.18391E-03 50897   0.142E-01    0.841E-01
RMM:  21    -0.819374393262E+01   -0.32842E-02   -0.16272E-04 50081   0.417E-02    0.717E-01
RMM:  22    -0.819624644585E+01   -0.25025E-02   -0.27790E-05 50514   0.188E-02    0.600E-01
RMM:  23    -0.817363607920E+01    0.22610E-01   -0.31830E-04 50880   0.613E-02    0.145E+00
RMM:  24    -0.815163331986E+01    0.22003E-01   -0.17814E-04 50952   0.438E-02    0.199E+00
RMM:  25    -0.815572112143E+01   -0.40878E-02   -0.95205E-06 50655   0.881E-03    0.190E+00
RMM:  26    -0.816799669352E+01   -0.12276E-01   -0.22304E-05 50815   0.163E-02    0.160E+00
RMM:  27    -0.817867868840E+01   -0.10682E-01   -0.43983E-05 50776   0.231E-02    0.126E+00
RMM:  28    -0.817262371058E+01    0.60550E-02   -0.74586E-06 50553   0.982E-03    0.140E+00
RMM:  29    -0.815571538296E+01    0.16908E-01   -0.54678E-05 50623   0.260E-02    0.179E+00
RMM:  30    -0.812633623614E+01    0.29379E-01   -0.13336E-04 50710   0.410E-02    0.239E+00
RMM:  31    -0.813246935436E+01   -0.61331E-02   -0.19189E-05 50467   0.139E-02    0.228E+00
RMM:  32    -0.815903324374E+01   -0.26564E-01   -0.86631E-05 50598   0.345E-02    0.171E+00
RMM:  33    -0.818031178515E+01   -0.21279E-01   -0.17155E-04 50692   0.465E-02    0.102E+00
RMM:  34    -0.819069859215E+01   -0.10387E-01   -0.19719E-04 50806   0.477E-02    0.348E-01
RMM:  35    -0.819195520978E+01   -0.12566E-02   -0.55429E-05 50760   0.240E-02    0.982E-02
RMM:  36    -0.819194760602E+01    0.76038E-05   -0.26068E-05 50739   0.169E-02    0.837E-02
RMM:  37    -0.819150725212E+01    0.44035E-03   -0.12483E-05 50712   0.116E-02    0.165E-01
RMM:  38    -0.819108068164E+01    0.42657E-03   -0.53897E-06 50632   0.768E-03    0.207E-01
RMM:  39    -0.819093463799E+01    0.14604E-03   -0.13783E-06 50368   0.384E-03    0.222E-01
RMM:  40    -0.819126796966E+01   -0.33333E-03   -0.10990E-06 50404   0.402E-03    0.200E-01
RMM:  41    -0.819187200101E+01   -0.60403E-03   -0.73005E-06 50534   0.978E-03    0.116E-01
RMM:  42    -0.819205867343E+01   -0.18667E-03   -0.94495E-06 50549   0.108E-02    0.149E-02
RMM:  43    -0.819204663881E+01    0.12035E-04   -0.25816E-06 50425   0.477E-03    0.275E-02
RMM:  44    -0.819205567632E+01   -0.90375E-05   -0.53273E-07 50258   0.269E-03    0.128E-02
RMM:  45    -0.819205755449E+01   -0.18782E-05   -0.58411E-08 46085   0.695E-04    0.613E-03
RMM:  46    -0.819205777889E+01   -0.22441E-06   -0.74001E-09 44499   0.249E-04    0.458E-03
RMM:  47    -0.819205740628E+01    0.37261E-06   -0.37984E-09 44590   0.212E-04    0.679E-03
RMM:  48    -0.819205722892E+01    0.17736E-06   -0.10419E-09 43051   0.107E-04    0.767E-03
RMM:  49    -0.819205760184E+01   -0.37292E-06   -0.18251E-09 43836   0.147E-04    0.582E-03
RMM:  50    -0.819205791854E+01   -0.31670E-06   -0.43916E-09 44411   0.234E-04    0.341E-03
RMM:  51    -0.819205802186E+01   -0.10332E-06   -0.24200E-09 44322   0.165E-04    0.204E-03
RMM:  52    -0.819205803882E+01   -0.16958E-07   -0.57636E-10 40941   0.721E-05
   1 F= -.81920580E+01 E0= -.81915397E+01  d E =-.103664E-02  mag=     0.9954
 Found     2 degrees of freedom:
 Adding 6 more for cell shape distortion
 Finite differences POTIM= 0.01000 DOF=   8
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.830737931103E+01   -0.11532E+00   -0.35426E+00139328   0.753E+00    0.253E+00
RMM:   2    -0.821013716017E+01    0.97242E-01   -0.12031E-02124531   0.398E-01    0.124E+00
RMM:   3    -0.819543008510E+01    0.14707E-01   -0.26362E-03123954   0.157E-01    0.667E-01
RMM:   4    -0.819140409348E+01    0.40260E-02   -0.42405E-04123878   0.625E-02    0.239E-01
RMM:   5    -0.819167759765E+01   -0.27350E-03   -0.17189E-04124310   0.396E-02    0.166E-01
RMM:   6    -0.819206447422E+01   -0.38688E-03   -0.25589E-05124445   0.166E-02    0.125E-01
RMM:   7    -0.819277933376E+01   -0.71486E-03   -0.42741E-05124884   0.208E-02    0.107E-01
RMM:   8    -0.819408027936E+01   -0.13009E-02   -0.50039E-04124822   0.728E-02    0.587E-02
RMM:   9    -0.819439235827E+01   -0.31208E-03   -0.20314E-04124839   0.445E-02    0.265E-02
RMM:  10    -0.819447246590E+01   -0.80108E-04   -0.31106E-05123149   0.176E-02    0.146E-02
RMM:  11    -0.819447821899E+01   -0.57531E-05   -0.42868E-06123961   0.577E-03    0.436E-03
RMM:  12    -0.819448033082E+01   -0.21118E-05   -0.54315E-07121266   0.186E-03    0.156E-03
RMM:  13    -0.819448007811E+01    0.25271E-06   -0.23073E-07121331   0.144E-03    0.126E-03
RMM:  14    -0.819448101862E+01   -0.94051E-06   -0.22281E-08110650   0.446E-04    0.614E-04
RMM:  15    -0.819448137946E+01   -0.36084E-06   -0.85580E-09107105   0.322E-04    0.379E-04
RMM:  16    -0.819448128167E+01    0.97787E-07   -0.74352E-10105194   0.928E-05
   2 F= -.81944813E+01 E0= -.81940416E+01  d E =-.879371E-03  mag=     0.9998
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        1/  4
  Total:               1/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.822118537512E+01   -0.26704E-01   -0.21633E+00192000   0.443E+00    0.128E+00
RMM:   2    -0.819687799532E+01    0.24307E-01   -0.29257E-03124306   0.196E-01    0.606E-01
RMM:   3    -0.819322321573E+01    0.36548E-02   -0.66848E-04123943   0.790E-02    0.319E-01
RMM:   4    -0.819234458413E+01    0.87863E-03   -0.11001E-04123941   0.319E-02    0.986E-02
RMM:   5    -0.819261284366E+01   -0.26826E-03   -0.43310E-05124431   0.202E-02    0.935E-02
RMM:   6    -0.819268454725E+01   -0.71704E-04   -0.61786E-06124260   0.821E-03    0.783E-02
RMM:   7    -0.819317505777E+01   -0.49051E-03   -0.61535E-05124790   0.251E-02    0.586E-02
RMM:   8    -0.819354648353E+01   -0.37143E-03   -0.20044E-04125031   0.454E-02    0.323E-02
RMM:   9    -0.819357661956E+01   -0.30136E-04   -0.20934E-05123368   0.160E-02    0.165E-02
RMM:  10    -0.819358878819E+01   -0.12169E-04   -0.46773E-06124827   0.658E-03    0.891E-03
RMM:  11    -0.819359723092E+01   -0.84427E-05   -0.36650E-06124662   0.594E-03    0.404E-03
RMM:  12    -0.819359620359E+01    0.10273E-05   -0.82584E-07123463   0.271E-03    0.132E-03
RMM:  13    -0.819359553120E+01    0.67239E-06   -0.19401E-07117457   0.128E-03    0.710E-04
RMM:  14    -0.819359483198E+01    0.69922E-06   -0.25507E-08110075   0.472E-04    0.422E-04
RMM:  15    -0.819359487546E+01   -0.43479E-07   -0.15208E-09106737   0.118E-04
   3 F= -.81935949E+01 E0= -.81930842E+01  d E =-.102126E-02  mag=     0.9988
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        2/  4
  Total:               2/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.830083747758E+01   -0.10724E+00   -0.29385E+00199040   0.715E+00    0.255E+00
RMM:   2    -0.820443012953E+01    0.96407E-01   -0.10112E-02124322   0.361E-01    0.121E+00
RMM:   3    -0.818922321769E+01    0.15207E-01   -0.24311E-03123948   0.147E-01    0.637E-01
RMM:   4    -0.818548537715E+01    0.37378E-02   -0.44101E-04123914   0.634E-02    0.206E-01
RMM:   5    -0.818653318116E+01   -0.10478E-02   -0.17371E-04124437   0.405E-02    0.183E-01
RMM:   6    -0.818679890904E+01   -0.26573E-03   -0.22957E-05124270   0.158E-02    0.145E-01
RMM:   7    -0.818800085329E+01   -0.12019E-02   -0.10864E-04124854   0.333E-02    0.979E-02
RMM:   8    -0.818883264157E+01   -0.83179E-03   -0.39052E-04125026   0.642E-02    0.498E-02
RMM:   9    -0.818888265063E+01   -0.50009E-04   -0.37683E-05123601   0.216E-02    0.205E-02
RMM:  10    -0.818888635493E+01   -0.37043E-05   -0.48090E-06123408   0.703E-03    0.134E-02
RMM:  11    -0.818889881443E+01   -0.12459E-04   -0.25220E-06124683   0.493E-03    0.708E-03
RMM:  12    -0.818890202960E+01   -0.32152E-05   -0.19090E-06124678   0.430E-03    0.297E-03
RMM:  13    -0.818890035589E+01    0.16737E-05   -0.25376E-07120548   0.154E-03    0.124E-03
RMM:  14    -0.818889956839E+01    0.78751E-06   -0.42276E-08113521   0.679E-04    0.782E-04
RMM:  15    -0.818889980221E+01   -0.23383E-06   -0.20412E-09107845   0.157E-04    0.399E-04
RMM:  16    -0.818889978060E+01    0.21613E-07   -0.15612E-10 97646   0.524E-05
   4 F= -.81888998E+01 E0= -.81883838E+01  d E =-.103202E-02  mag=     0.9950
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        3/  4
  Total:               3/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.821197464870E+01   -0.23075E-01   -0.20310E+00195712   0.431E+00    0.126E+00
RMM:   2    -0.818797684481E+01    0.23998E-01   -0.26418E-03124242   0.186E-01    0.605E-01
RMM:   3    -0.818422235774E+01    0.37545E-02   -0.64396E-04124026   0.774E-02    0.327E-01
RMM:   4    -0.818318037632E+01    0.10420E-02   -0.10713E-04123933   0.314E-02    0.125E-01
RMM:   5    -0.818322897709E+01   -0.48601E-04   -0.45459E-05124306   0.205E-02    0.713E-02
RMM:   6    -0.818331025218E+01   -0.81275E-04   -0.54714E-06124423   0.786E-03    0.611E-02
RMM:   7    -0.818347895147E+01   -0.16870E-03   -0.11483E-05124922   0.107E-02    0.485E-02
RMM:   8    -0.818368984344E+01   -0.21089E-03   -0.77562E-05124991   0.282E-02    0.196E-02
RMM:   9    -0.818370090625E+01   -0.11063E-04   -0.95160E-06123994   0.102E-02    0.109E-02
RMM:  10    -0.818370251815E+01   -0.16119E-05   -0.20301E-06123728   0.437E-03    0.485E-03
RMM:  11    -0.818370577534E+01   -0.32572E-05   -0.91282E-07123869   0.287E-03    0.388E-03
RMM:  12    -0.818370640882E+01   -0.63349E-06   -0.46365E-07123087   0.207E-03    0.134E-03
RMM:  13    -0.818370561949E+01    0.78933E-06   -0.95592E-08115433   0.948E-04    0.599E-04
RMM:  14    -0.818370519741E+01    0.42208E-06   -0.15246E-08109616   0.359E-04    0.410E-04
RMM:  15    -0.818370512418E+01    0.73233E-07   -0.12394E-09101314   0.935E-05
   5 F= -.81837051E+01 E0= -.81831821E+01  d E =-.104601E-02  mag=     0.9966
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        4/  4
  Total:               4/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.857911542569E+01   -0.39541E+00   -0.10801E+01198144   0.149E+01    0.457E+00
RMM:   2    -0.823237257387E+01    0.34674E+00   -0.39159E-02124562   0.704E-01    0.201E+00
RMM:   3    -0.821361295506E+01    0.18760E-01   -0.64069E-03123815   0.241E-01    0.934E-01
RMM:   4    -0.819899141912E+01    0.14622E-01   -0.62665E-04123679   0.754E-02    0.400E-01
RMM:   5    -0.819449060372E+01    0.45008E-02   -0.38609E-04124178   0.635E-02    0.213E-01
RMM:   6    -0.819346591148E+01    0.10247E-02   -0.64138E-05124209   0.272E-02    0.120E-01
RMM:   7    -0.819496396313E+01   -0.14981E-02   -0.53936E-05124939   0.240E-02    0.989E-02
RMM:   8    -0.819342864608E+01    0.15353E-02   -0.22342E-04124730   0.483E-02    0.485E-02
RMM:   9    -0.819487054535E+01   -0.14419E-02   -0.57850E-05124702   0.244E-02    0.248E-02
RMM:  10    -0.819432247793E+01    0.54807E-03   -0.83693E-06124041   0.928E-03    0.818E-03
RMM:  11    -0.819446737121E+01   -0.14489E-03   -0.88531E-07122798   0.272E-03    0.708E-03
RMM:  12    -0.819446590944E+01    0.14618E-05   -0.18443E-06124556   0.434E-03    0.289E-03
RMM:  13    -0.819448232697E+01   -0.16418E-04   -0.41944E-07122880   0.200E-03    0.916E-04
RMM:  14    -0.819448142649E+01    0.90048E-06   -0.61436E-08114968   0.796E-04    0.506E-04
RMM:  15    -0.819448114629E+01    0.28020E-06   -0.26944E-09106746   0.142E-04    0.395E-04
RMM:  16    -0.819448141968E+01   -0.27339E-06   -0.93782E-10106353   0.102E-04    0.355E-04
RMM:  17    -0.819448112449E+01    0.29519E-06   -0.48291E-11 96844   0.374E-05    0.352E-04
RMM:  18    -0.819448128069E+01   -0.15620E-06   -0.13285E-13 89013   0.262E-05    0.352E-04
RMM:  19    -0.819448125995E+01    0.20740E-07   -0.10443E-13 87878   0.261E-05
   6 F= -.81944813E+01 E0= -.81940416E+01  d E =-.879346E-03  mag=     0.9998
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        1/  4
  Total:               5/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.822119107510E+01   -0.26710E-01   -0.21765E+00199360   0.440E+00    0.128E+00
RMM:   2    -0.819688159517E+01    0.24309E-01   -0.28855E-03124297   0.195E-01    0.606E-01
RMM:   3    -0.819322284567E+01    0.36587E-02   -0.65997E-04123947   0.781E-02    0.319E-01
RMM:   4    -0.819234633670E+01    0.87651E-03   -0.10954E-04123928   0.318E-02    0.986E-02
RMM:   5    -0.819261505095E+01   -0.26871E-03   -0.43366E-05124437   0.202E-02    0.936E-02
RMM:   6    -0.819269384257E+01   -0.78792E-04   -0.62043E-06124221   0.825E-03    0.783E-02
RMM:   7    -0.819317159264E+01   -0.47775E-03   -0.61603E-05124782   0.251E-02    0.586E-02
RMM:   8    -0.819352497640E+01   -0.35338E-03   -0.20093E-04125002   0.455E-02    0.324E-02
RMM:   9    -0.819357507101E+01   -0.50095E-04   -0.21640E-05123375   0.162E-02    0.166E-02
RMM:  10    -0.819358720322E+01   -0.12132E-04   -0.47203E-06124812   0.661E-03    0.892E-03
RMM:  11    -0.819359449921E+01   -0.72960E-05   -0.36514E-06124666   0.592E-03    0.404E-03
RMM:  12    -0.819359505247E+01   -0.55326E-06   -0.83585E-07123480   0.273E-03    0.132E-03
RMM:  13    -0.819359499130E+01    0.61169E-07   -0.19630E-07117507   0.129E-03
   7 F= -.81935950E+01 E0= -.81930844E+01  d E =-.102112E-02  mag=     0.9988
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        2/  4
  Total:               6/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.830083508827E+01   -0.10724E+00   -0.29461E+00200832   0.713E+00    0.255E+00
RMM:   2    -0.820443085841E+01    0.96404E-01   -0.10068E-02124329   0.360E-01    0.121E+00
RMM:   3    -0.818921924114E+01    0.15212E-01   -0.24255E-03123958   0.147E-01    0.636E-01
RMM:   4    -0.818548698084E+01    0.37323E-02   -0.44044E-04123915   0.633E-02    0.206E-01
RMM:   5    -0.818653588604E+01   -0.10489E-02   -0.17357E-04124443   0.404E-02    0.183E-01
RMM:   6    -0.818681580000E+01   -0.27991E-03   -0.23078E-05124247   0.159E-02    0.145E-01
RMM:   7    -0.818800313899E+01   -0.11873E-02   -0.10886E-04124852   0.334E-02    0.979E-02
RMM:   8    -0.818880454527E+01   -0.80141E-03   -0.39117E-04124989   0.643E-02    0.499E-02
RMM:   9    -0.818888165602E+01   -0.77111E-04   -0.38906E-05123643   0.220E-02    0.206E-02
RMM:  10    -0.818888676939E+01   -0.51134E-05   -0.48655E-06123382   0.707E-03    0.134E-02
RMM:  11    -0.818889728145E+01   -0.10512E-04   -0.25196E-06124696   0.493E-03    0.709E-03
RMM:  12    -0.818889995637E+01   -0.26749E-05   -0.19153E-06124667   0.430E-03    0.298E-03
RMM:  13    -0.818889979290E+01    0.16346E-06   -0.25666E-07120506   0.156E-03    0.124E-03
RMM:  14    -0.818889961765E+01    0.17526E-06   -0.43772E-08113592   0.689E-04    0.783E-04
RMM:  15    -0.818889970307E+01   -0.85428E-07   -0.20748E-09107861   0.158E-04
   8 F= -.81888997E+01 E0= -.81883837E+01  d E =-.103209E-02  mag=     0.9950
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        3/  4
  Total:               7/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.821197485798E+01   -0.23075E-01   -0.20277E+00197696   0.431E+00    0.126E+00
RMM:   2    -0.818798023559E+01    0.23995E-01   -0.26422E-03124253   0.186E-01    0.605E-01
RMM:   3    -0.818422340636E+01    0.37568E-02   -0.64527E-04124023   0.776E-02    0.327E-01
RMM:   4    -0.818318132642E+01    0.10421E-02   -0.10755E-04123927   0.314E-02    0.125E-01
RMM:   5    -0.818322953278E+01   -0.48206E-04   -0.45569E-05124307   0.205E-02    0.713E-02
RMM:   6    -0.818331646781E+01   -0.86935E-04   -0.55088E-06124413   0.788E-03    0.611E-02
RMM:   7    -0.818348138292E+01   -0.16492E-03   -0.11506E-05124925   0.107E-02    0.485E-02
RMM:   8    -0.818367791514E+01   -0.19653E-03   -0.77602E-05124969   0.283E-02    0.196E-02
RMM:   9    -0.818369821989E+01   -0.20305E-04   -0.96594E-06123974   0.104E-02    0.109E-02
RMM:  10    -0.818370160535E+01   -0.33855E-05   -0.20661E-06123735   0.442E-03    0.486E-03
RMM:  11    -0.818370450706E+01   -0.29017E-05   -0.91194E-07123850   0.287E-03    0.388E-03
RMM:  12    -0.818370522126E+01   -0.71420E-06   -0.46767E-07123099   0.208E-03    0.134E-03
RMM:  13    -0.818370508397E+01    0.13729E-06   -0.96309E-08115391   0.952E-04    0.601E-04
RMM:  14    -0.818370497237E+01    0.11160E-06   -0.15452E-08109628   0.362E-04    0.410E-04
RMM:  15    -0.818370495675E+01    0.15619E-07   -0.12506E-09101187   0.944E-05
   9 F= -.81837050E+01 E0= -.81831820E+01  d E =-.104601E-02  mag=     0.9966
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        4/  4
  Total:               8/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.858222286613E+01   -0.39852E+00   -0.10762E+01197568   0.148E+01    0.455E+00
RMM:   2    -0.823628711556E+01    0.34594E+00   -0.38627E-02124540   0.701E-01    0.200E+00
RMM:   3    -0.821614440579E+01    0.20143E-01   -0.64085E-03123952   0.242E-01    0.942E-01
RMM:   4    -0.820091419573E+01    0.15230E-01   -0.62663E-04123956   0.763E-02    0.419E-01
RMM:   5    -0.819508696129E+01    0.58272E-02   -0.36175E-04124212   0.607E-02    0.239E-01
RMM:   6    -0.819356791457E+01    0.15190E-02   -0.67578E-05124374   0.284E-02    0.122E-01
RMM:   7    -0.819494373044E+01   -0.13758E-02   -0.46170E-05124841   0.224E-02    0.103E-01
RMM:   8    -0.819325061325E+01    0.16931E-02   -0.33180E-04124769   0.592E-02    0.587E-02
RMM:   9    -0.819504062186E+01   -0.17900E-02   -0.54052E-05124289   0.243E-02    0.210E-02
RMM:  10    -0.819437544535E+01    0.66518E-03   -0.85114E-06124185   0.965E-03    0.106E-02
RMM:  11    -0.819446115589E+01   -0.85711E-04   -0.12170E-06124304   0.332E-03    0.799E-03
RMM:  12    -0.819445655284E+01    0.46030E-05   -0.25321E-06124644   0.504E-03    0.277E-03
RMM:  13    -0.819448261123E+01   -0.26058E-04   -0.53480E-07123123   0.227E-03    0.987E-04
RMM:  14    -0.819447319962E+01    0.94116E-05   -0.79632E-08115308   0.883E-04    0.447E-04
RMM:  15    -0.819447657105E+01   -0.33714E-05   -0.41414E-09106642   0.164E-04    0.378E-04
RMM:  16    -0.819447645148E+01    0.11957E-06   -0.75130E-10105942   0.897E-05    0.354E-04
RMM:  17    -0.819447610378E+01    0.34770E-06   -0.36581E-11 94833   0.322E-05    0.351E-04
RMM:  18    -0.819447625825E+01   -0.15447E-06   -0.53850E-12 89572   0.272E-05    0.351E-04
RMM:  19    -0.819447621184E+01    0.46408E-07   -0.44665E-14 87930   0.259E-05
  10 F= -.81944762E+01 E0= -.81940365E+01  d E =-.879523E-03  mag=     0.9998
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        1/  4
  Total:               9/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.822118168878E+01   -0.26705E-01   -0.23506E+00190592   0.456E+00    0.128E+00
RMM:   2    -0.819688225540E+01    0.24299E-01   -0.29486E-03124318   0.197E-01    0.606E-01
RMM:   3    -0.819322398321E+01    0.36583E-02   -0.67249E-04123945   0.792E-02    0.319E-01
RMM:   4    -0.819234841161E+01    0.87557E-03   -0.10977E-04123940   0.319E-02    0.986E-02
RMM:   5    -0.819261771054E+01   -0.26930E-03   -0.43542E-05124432   0.202E-02    0.935E-02
RMM:   6    -0.819270708777E+01   -0.89377E-04   -0.63100E-06124165   0.832E-03    0.784E-02
RMM:   7    -0.819316610796E+01   -0.45902E-03   -0.61623E-05124775   0.251E-02    0.587E-02
RMM:   8    -0.819349152305E+01   -0.32542E-03   -0.20198E-04124971   0.456E-02    0.324E-02
RMM:   9    -0.819357137105E+01   -0.79848E-04   -0.22512E-05123346   0.165E-02    0.165E-02
RMM:  10    -0.819358343690E+01   -0.12066E-04   -0.47632E-06124738   0.668E-03    0.891E-03
RMM:  11    -0.819358905407E+01   -0.56172E-05   -0.36557E-06124674   0.592E-03    0.403E-03
RMM:  12    -0.819359188303E+01   -0.28290E-05   -0.84601E-07123469   0.274E-03    0.133E-03
RMM:  13    -0.819359276252E+01   -0.87949E-06   -0.20116E-07117498   0.131E-03    0.707E-04
RMM:  14    -0.819359335723E+01   -0.59471E-06   -0.27629E-08110133   0.488E-04    0.420E-04
RMM:  15    -0.819359334481E+01    0.12421E-07   -0.16821E-09106641   0.120E-04
  11 F= -.81935933E+01 E0= -.81930828E+01  d E =-.102118E-02  mag=     0.9988
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        2/  4
  Total:              10/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.830084335886E+01   -0.10725E+00   -0.28397E+00199616   0.714E+00    0.255E+00
RMM:   2    -0.820444828969E+01    0.96395E-01   -0.10100E-02124339   0.361E-01    0.121E+00
RMM:   3    -0.818922936663E+01    0.15219E-01   -0.24381E-03123972   0.147E-01    0.636E-01
RMM:   4    -0.818550043794E+01    0.37289E-02   -0.43811E-04123907   0.632E-02    0.206E-01
RMM:   5    -0.818654872408E+01   -0.10483E-02   -0.17455E-04124440   0.406E-02    0.183E-01
RMM:   6    -0.818684945165E+01   -0.30073E-03   -0.23427E-05124208   0.160E-02    0.145E-01
RMM:   7    -0.818801283058E+01   -0.11634E-02   -0.10897E-04124852   0.334E-02    0.978E-02
RMM:   8    -0.818876560509E+01   -0.75277E-03   -0.39162E-04124943   0.644E-02    0.500E-02
RMM:   9    -0.818888328069E+01   -0.11768E-03   -0.40769E-05123673   0.224E-02    0.206E-02
RMM:  10    -0.818889025561E+01   -0.69749E-05   -0.49327E-06123371   0.714E-03    0.134E-02
RMM:  11    -0.818889783040E+01   -0.75748E-05   -0.24959E-06124703   0.491E-03    0.708E-03
RMM:  12    -0.818889965379E+01   -0.18234E-05   -0.19324E-06124671   0.432E-03    0.299E-03
RMM:  13    -0.818890177076E+01   -0.21170E-05   -0.26072E-07120469   0.157E-03    0.125E-03
RMM:  14    -0.818890250722E+01   -0.73647E-06   -0.46632E-08113636   0.705E-04    0.787E-04
RMM:  15    -0.818890237529E+01    0.13193E-06   -0.21340E-09107879   0.160E-04    0.405E-04
RMM:  16    -0.818890238488E+01   -0.95939E-08   -0.16056E-10 97669   0.526E-05
  12 F= -.81889024E+01 E0= -.81883864E+01  d E =-.103199E-02  mag=     0.9950
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        3/  4
  Total:              11/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.821197256146E+01   -0.23070E-01   -0.22290E+00192896   0.440E+00    0.126E+00
RMM:   2    -0.818799031297E+01    0.23982E-01   -0.27019E-03124247   0.189E-01    0.605E-01
RMM:   3    -0.818423138010E+01    0.37589E-02   -0.64932E-04124016   0.781E-02    0.327E-01
RMM:   4    -0.818318850091E+01    0.10429E-02   -0.10668E-04123936   0.314E-02    0.125E-01
RMM:   5    -0.818323628703E+01   -0.47786E-04   -0.45758E-05124298   0.206E-02    0.713E-02
RMM:   6    -0.818333147749E+01   -0.95190E-04   -0.56014E-06124393   0.795E-03    0.611E-02
RMM:   7    -0.818349045096E+01   -0.15897E-03   -0.11507E-05124929   0.107E-02    0.485E-02
RMM:   8    -0.818366522361E+01   -0.17477E-03   -0.77906E-05124936   0.283E-02    0.196E-02
RMM:   9    -0.818369947204E+01   -0.34248E-04   -0.98924E-06123957   0.105E-02    0.109E-02
RMM:  10    -0.818370553480E+01   -0.60628E-05   -0.21141E-06123725   0.449E-03    0.487E-03
RMM:  11    -0.818370791919E+01   -0.23844E-05   -0.91340E-07123833   0.287E-03    0.389E-03
RMM:  12    -0.818370872717E+01   -0.80799E-06   -0.47339E-07123140   0.209E-03    0.135E-03
RMM:  13    -0.818370958547E+01   -0.85830E-06   -0.98181E-08115415   0.961E-04    0.609E-04
RMM:  14    -0.818370995307E+01   -0.36760E-06   -0.15925E-08109680   0.368E-04    0.419E-04
RMM:  15    -0.818371002340E+01   -0.70322E-07   -0.12812E-09101119   0.957E-05
  13 F= -.81837100E+01 E0= -.81831870E+01  d E =-.104603E-02  mag=     0.9966
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        4/  4
  Total:              12/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.832000095401E+01   -0.13629E+00   -0.45380E+00631296   0.806E+00    0.272E+00
RMM:   2    -0.821259771797E+01    0.10740E+00   -0.11185E-02402314   0.380E-01    0.138E+00
RMM:   3    -0.819436777121E+01    0.18230E-01   -0.29289E-03400726   0.165E-01    0.774E-01
RMM:   4    -0.818875551707E+01    0.56123E-02   -0.60801E-04399908   0.749E-02    0.291E-01
RMM:   5    -0.818886614301E+01   -0.11063E-03   -0.22933E-04401525   0.467E-02    0.162E-01
RMM:   6    -0.818933141476E+01   -0.46527E-03   -0.35342E-05402172   0.201E-02    0.135E-01
RMM:   7    -0.819007650812E+01   -0.74509E-03   -0.69918E-05403356   0.269E-02    0.974E-02
RMM:   8    -0.819052732907E+01   -0.45082E-03   -0.34895E-04404039   0.605E-02    0.454E-02
RMM:   9    -0.819064056988E+01   -0.11324E-03   -0.32803E-05400349   0.198E-02    0.125E-02
RMM:  10    -0.819063950712E+01    0.10628E-05   -0.36672E-06397608   0.608E-03    0.789E-03
RMM:  11    -0.819064276099E+01   -0.32539E-05   -0.76901E-07399630   0.262E-03    0.315E-03
RMM:  12    -0.819064317473E+01   -0.41374E-06   -0.18140E-07384095   0.127E-03    0.148E-03
RMM:  13    -0.819064328916E+01   -0.11443E-06   -0.12395E-07376701   0.108E-03    0.637E-04
RMM:  14    -0.819064328319E+01    0.59698E-08   -0.14527E-08352992   0.356E-04
  14 F= -.81906433E+01 E0= -.81901242E+01  d E =-.103821E-02  mag=     0.9955
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        1/  4
  Total:              13/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819520691513E+01   -0.45636E-02   -0.10118E+00640640   0.245E+00    0.488E-01
RMM:   2    -0.819285643226E+01    0.23505E-02   -0.27268E-04396922   0.526E-02    0.285E-01
RMM:   3    -0.819163133809E+01    0.12251E-02   -0.17997E-04396971   0.400E-02    0.477E-02
RMM:   4    -0.819169729831E+01   -0.65960E-04   -0.99851E-06397610   0.108E-02    0.142E-02
RMM:   5    -0.819170084536E+01   -0.35471E-05   -0.38998E-07397290   0.219E-03    0.743E-03
RMM:   6    -0.819170294770E+01   -0.21023E-05   -0.29723E-07397186   0.197E-03    0.297E-03
RMM:   7    -0.819170301530E+01   -0.67604E-07   -0.66087E-08366411   0.887E-04
  15 F= -.81917030E+01 E0= -.81911850E+01  d E =-.103601E-02  mag=     0.9957
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        2/  4
  Total:              14/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.820577515993E+01   -0.14072E-01   -0.45120E-01624384   0.145E+00    0.976E-01
RMM:   2    -0.819631818125E+01    0.94570E-02   -0.35935E-04397247   0.578E-02    0.570E-01
RMM:   3    -0.819141556577E+01    0.49026E-02   -0.74588E-04396949   0.810E-02    0.973E-02
RMM:   4    -0.819168053268E+01   -0.26497E-03   -0.40326E-05397605   0.216E-02    0.282E-02
RMM:   5    -0.819169455299E+01   -0.14020E-04   -0.17168E-06399889   0.458E-03    0.145E-02
RMM:   6    -0.819170244205E+01   -0.78891E-05   -0.11123E-06400589   0.379E-03    0.564E-03
RMM:   7    -0.819170285648E+01   -0.41443E-06   -0.24836E-07390440   0.168E-03    0.195E-03
RMM:   8    -0.819170294519E+01   -0.88708E-07   -0.57155E-08363017   0.759E-04
  16 F= -.81917029E+01 E0= -.81911849E+01  d E =-.103603E-02  mag=     0.9957
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        3/  4
  Total:              15/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819414889008E+01   -0.24460E-02   -0.10411E+00631808   0.227E+00    0.488E-01
RMM:   2    -0.819179879619E+01    0.23501E-02   -0.23165E-04396968   0.483E-02    0.285E-01
RMM:   3    -0.819057203556E+01    0.12268E-02   -0.17855E-04396982   0.397E-02    0.482E-02
RMM:   4    -0.819063749606E+01   -0.65461E-04   -0.99438E-06397707   0.107E-02    0.143E-02
RMM:   5    -0.819064096786E+01   -0.34718E-05   -0.38981E-07397348   0.220E-03    0.751E-03
RMM:   6    -0.819064293690E+01   -0.19690E-05   -0.28056E-07396217   0.192E-03    0.268E-03
RMM:   7    -0.819064306318E+01   -0.12628E-06   -0.64680E-08365750   0.874E-04    0.105E-03
RMM:   8    -0.819064307121E+01   -0.80299E-08   -0.13216E-08353138   0.352E-04
  17 F= -.81906431E+01 E0= -.81901240E+01  d E =-.103824E-02  mag=     0.9955
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        4/  4
  Total:              16/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.821684418272E+01   -0.26201E-01   -0.17555E+00614144   0.288E+00    0.131E+00
RMM:   2    -0.819892937904E+01    0.17915E-01   -0.80058E-04397095   0.877E-02    0.785E-01
RMM:   3    -0.819022437442E+01    0.87050E-02   -0.15264E-03396925   0.116E-01    0.160E-01
RMM:   4    -0.819056297926E+01   -0.33860E-03   -0.12158E-04398512   0.363E-02    0.470E-02
RMM:   5    -0.819056188936E+01    0.10899E-05   -0.84322E-06399035   0.963E-03    0.204E-02
RMM:   6    -0.819067551592E+01   -0.11363E-03   -0.31981E-06398972   0.601E-03    0.615E-03
RMM:   7    -0.819063425275E+01    0.41263E-04   -0.31759E-07396405   0.177E-03    0.215E-03
RMM:   8    -0.819064651119E+01   -0.12258E-04   -0.25178E-08357308   0.487E-04    0.135E-03
RMM:   9    -0.819064385004E+01    0.26612E-05   -0.32514E-09350112   0.191E-04    0.981E-04
RMM:  10    -0.819064309903E+01    0.75100E-06   -0.32682E-09345511   0.197E-04    0.576E-04
RMM:  11    -0.819064315765E+01   -0.58617E-07   -0.16592E-09341480   0.138E-04
  18 F= -.81906432E+01 E0= -.81901241E+01  d E =-.103817E-02  mag=     0.9956
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        1/  4
  Total:              17/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819520418048E+01   -0.45611E-02   -0.99285E-01648832   0.243E+00    0.488E-01
RMM:   2    -0.819285578185E+01    0.23484E-02   -0.29608E-04396908   0.529E-02    0.285E-01
RMM:   3    -0.819163058534E+01    0.12252E-02   -0.18104E-04396965   0.401E-02    0.477E-02
RMM:   4    -0.819169687632E+01   -0.66291E-04   -0.10017E-05397575   0.108E-02    0.142E-02
RMM:   5    -0.819170049028E+01   -0.36140E-05   -0.39336E-07397302   0.220E-03    0.743E-03
RMM:   6    -0.819170262843E+01   -0.21382E-05   -0.29824E-07397175   0.197E-03    0.297E-03
RMM:   7    -0.819170270791E+01   -0.79472E-07   -0.66387E-08366436   0.888E-04
  19 F= -.81917027E+01 E0= -.81911847E+01  d E =-.103601E-02  mag=     0.9957
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        2/  4
  Total:              18/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.820577392932E+01   -0.14071E-01   -0.45330E-01613824   0.147E+00    0.976E-01
RMM:   2    -0.819631725621E+01    0.94567E-02   -0.36430E-04397214   0.582E-02    0.570E-01
RMM:   3    -0.819141457879E+01    0.49027E-02   -0.74642E-04396951   0.810E-02    0.973E-02
RMM:   4    -0.819168003808E+01   -0.26546E-03   -0.40350E-05397576   0.216E-02    0.282E-02
RMM:   5    -0.819169414237E+01   -0.14104E-04   -0.17284E-06399813   0.460E-03    0.145E-02
RMM:   6    -0.819170213501E+01   -0.79926E-05   -0.11169E-06400566   0.380E-03    0.564E-03
RMM:   7    -0.819170260533E+01   -0.47032E-06   -0.24859E-07390440   0.168E-03    0.195E-03
RMM:   8    -0.819170266660E+01   -0.61265E-07   -0.57350E-08363074   0.761E-04
  20 F= -.81917027E+01 E0= -.81911847E+01  d E =-.103603E-02  mag=     0.9957
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        3/  4
  Total:              19/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819414764745E+01   -0.24450E-02   -0.10295E+00630208   0.226E+00    0.488E-01
RMM:   2    -0.819179832227E+01    0.23493E-02   -0.24019E-04396924   0.488E-02    0.285E-01
RMM:   3    -0.819057147509E+01    0.12268E-02   -0.17902E-04396984   0.398E-02    0.482E-02
RMM:   4    -0.819063701592E+01   -0.65541E-04   -0.99764E-06397669   0.107E-02    0.143E-02
RMM:   5    -0.819064053219E+01   -0.35163E-05   -0.39206E-07397341   0.221E-03    0.753E-03
RMM:   6    -0.819064257992E+01   -0.20477E-05   -0.28091E-07396153   0.192E-03    0.267E-03
RMM:   7    -0.819064273640E+01   -0.15648E-06   -0.65322E-08365878   0.878E-04    0.106E-03
RMM:   8    -0.819064273380E+01    0.25980E-08   -0.13219E-08353148   0.352E-04
  21 F= -.81906427E+01 E0= -.81901236E+01  d E =-.103823E-02  mag=     0.9955
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        4/  4
  Total:              20/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.821882564262E+01   -0.28183E-01   -0.16780E+00613952   0.288E+00    0.131E+00
RMM:   2    -0.820076620001E+01    0.18059E-01   -0.84090E-04397114   0.897E-02    0.783E-01
RMM:   3    -0.818975079060E+01    0.11015E-01   -0.15354E-03396883   0.115E-01    0.159E-01
RMM:   4    -0.819064863089E+01   -0.89784E-03   -0.10878E-04398345   0.345E-02    0.446E-02
RMM:   5    -0.819064155932E+01    0.70716E-05   -0.79935E-06398378   0.932E-03    0.168E-02
RMM:   6    -0.819064179262E+01   -0.23330E-06   -0.22525E-06398473   0.501E-03    0.632E-03
RMM:   7    -0.819064216501E+01   -0.37239E-06   -0.25124E-07394790   0.159E-03    0.166E-03
RMM:   8    -0.819064280713E+01   -0.64212E-06   -0.26699E-08357975   0.491E-04    0.944E-04
RMM:   9    -0.819064278961E+01    0.17514E-07   -0.26962E-09349376   0.169E-04
  22 F= -.81906428E+01 E0= -.81901237E+01  d E =-.103825E-02  mag=     0.9955
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        1/  4
  Total:              21/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819519843446E+01   -0.45556E-02   -0.98902E-01619904   0.242E+00    0.488E-01
RMM:   2    -0.819285574584E+01    0.23427E-02   -0.35388E-04396904   0.568E-02    0.285E-01
RMM:   3    -0.819163077993E+01    0.12250E-02   -0.18080E-04396966   0.401E-02    0.476E-02
RMM:   4    -0.819169701309E+01   -0.66233E-04   -0.99855E-06397586   0.108E-02    0.142E-02
RMM:   5    -0.819170061055E+01   -0.35975E-05   -0.38976E-07397275   0.220E-03    0.741E-03
RMM:   6    -0.819170263367E+01   -0.20231E-05   -0.29753E-07397127   0.197E-03    0.296E-03
RMM:   7    -0.819170280301E+01   -0.16934E-06   -0.66200E-08366332   0.885E-04    0.110E-03
RMM:   8    -0.819170279418E+01    0.88243E-08   -0.15530E-08353850   0.388E-04
  23 F= -.81917028E+01 E0= -.81911848E+01  d E =-.103597E-02  mag=     0.9957
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        2/  4
  Total:              22/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.820577820346E+01   -0.14075E-01   -0.45936E-01604800   0.148E+00    0.976E-01
RMM:   2    -0.819631949295E+01    0.94587E-02   -0.36980E-04397233   0.587E-02    0.570E-01
RMM:   3    -0.819141605187E+01    0.49034E-02   -0.74489E-04396948   0.809E-02    0.971E-02
RMM:   4    -0.819168016846E+01   -0.26412E-03   -0.40215E-05397589   0.216E-02    0.282E-02
RMM:   5    -0.819169421870E+01   -0.14050E-04   -0.17153E-06399832   0.458E-03    0.145E-02
RMM:   6    -0.819170213630E+01   -0.79176E-05   -0.11114E-06400539   0.379E-03    0.564E-03
RMM:   7    -0.819170263099E+01   -0.49469E-06   -0.24768E-07390435   0.168E-03    0.193E-03
RMM:   8    -0.819170268179E+01   -0.50798E-07   -0.56820E-08362997   0.757E-04
  24 F= -.81917027E+01 E0= -.81911847E+01  d E =-.103603E-02  mag=     0.9957
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        3/  4
  Total:              23/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819414610929E+01   -0.24435E-02   -0.10216E+00627008   0.225E+00    0.488E-01
RMM:   2    -0.819179833687E+01    0.23478E-02   -0.25356E-04396922   0.496E-02    0.285E-01
RMM:   3    -0.819057164094E+01    0.12267E-02   -0.17903E-04396981   0.398E-02    0.482E-02
RMM:   4    -0.819063688746E+01   -0.65247E-04   -0.99537E-06397648   0.107E-02    0.143E-02
RMM:   5    -0.819064039514E+01   -0.35077E-05   -0.39266E-07397372   0.220E-03    0.752E-03
RMM:   6    -0.819064253729E+01   -0.21422E-05   -0.28197E-07396178   0.192E-03    0.269E-03
RMM:   7    -0.819064261557E+01   -0.78280E-07   -0.65084E-08365827   0.875E-04
  25 F= -.81906426E+01 E0= -.81901235E+01  d E =-.103820E-02  mag=     0.9955
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        4/  4
  Total:              24/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.820441642851E+01   -0.13774E-01   -0.32499E+00200640   0.344E+00    0.931E-01
RMM:   2    -0.819613666595E+01    0.82798E-02   -0.66940E-04122938   0.826E-02    0.560E-01
RMM:   3    -0.818988614598E+01    0.62505E-02   -0.81340E-04122945   0.882E-02    0.333E-01
RMM:   4    -0.819113186986E+01   -0.12457E-02   -0.18889E-04123176   0.445E-02    0.217E-02
RMM:   5    -0.819113499934E+01   -0.31295E-05   -0.73099E-06123309   0.846E-03    0.864E-03
RMM:   6    -0.819113771208E+01   -0.27127E-05   -0.67365E-07123142   0.264E-03    0.323E-03
RMM:   7    -0.819113604220E+01    0.16699E-05   -0.54939E-08115334   0.744E-04    0.112E-03
RMM:   8    -0.819113581249E+01    0.22971E-06   -0.51411E-09108235   0.237E-04    0.796E-04
RMM:   9    -0.819113528128E+01    0.53121E-06   -0.29589E-09105846   0.180E-04    0.510E-04
RMM:  10    -0.819113524842E+01    0.32852E-07   -0.70336E-10104006   0.890E-05
  26 F= -.81911352E+01 E0= -.81906196E+01  d E =-.103130E-02  mag=     0.9960
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        1/  4
  Total:              25/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819161567227E+01   -0.48039E-03   -0.19473E+00151104   0.220E+00    0.153E-01
RMM:   2    -0.819176767667E+01   -0.15200E-03   -0.15540E-04123389   0.387E-02    0.773E-02
RMM:   3    -0.819182289930E+01   -0.55223E-04   -0.80295E-06123248   0.969E-03    0.273E-02
RMM:   4    -0.819182657946E+01   -0.36802E-05   -0.20649E-06123175   0.424E-03    0.826E-03
RMM:   5    -0.819182715951E+01   -0.58005E-06   -0.19118E-07122141   0.145E-03    0.255E-03
RMM:   6    -0.819182718428E+01   -0.24771E-07   -0.24894E-08112070   0.505E-04
  27 F= -.81918272E+01 E0= -.81913100E+01  d E =-.103434E-02  mag=     0.9958
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        2/  4
  Total:              26/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819101551920E+01    0.81164E-03   -0.17307E+00150656   0.218E+00    0.307E-01
RMM:   2    -0.819158939275E+01   -0.57387E-03   -0.29472E-04123551   0.536E-02    0.154E-01
RMM:   3    -0.819180985137E+01   -0.22046E-03   -0.28706E-05123279   0.182E-02    0.544E-02
RMM:   4    -0.819182474181E+01   -0.14890E-04   -0.83211E-06123048   0.845E-03    0.164E-02
RMM:   5    -0.819182700652E+01   -0.22647E-05   -0.74413E-07123329   0.284E-03    0.470E-03
RMM:   6    -0.819182714932E+01   -0.14281E-06   -0.85987E-08118201   0.921E-04    0.178E-03
RMM:   7    -0.819182718850E+01   -0.39181E-07   -0.12313E-08109804   0.351E-04
  28 F= -.81918272E+01 E0= -.81913100E+01  d E =-.103433E-02  mag=     0.9958
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        3/  4
  Total:              27/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819092429893E+01    0.90285E-03   -0.19400E+00158848   0.220E+00    0.153E-01
RMM:   2    -0.819107529107E+01   -0.15099E-03   -0.15176E-04123386   0.380E-02    0.773E-02
RMM:   3    -0.819113062512E+01   -0.55334E-04   -0.78881E-06123227   0.958E-03    0.273E-02
RMM:   4    -0.819113453985E+01   -0.39147E-05   -0.20977E-06123134   0.427E-03    0.823E-03
RMM:   5    -0.819113510289E+01   -0.56304E-06   -0.19088E-07122146   0.145E-03    0.261E-03
RMM:   6    -0.819113517765E+01   -0.74758E-07   -0.23775E-08111876   0.495E-04
  29 F= -.81911352E+01 E0= -.81906195E+01  d E =-.103135E-02  mag=     0.9960
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        4/  4
  Total:              28/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819034927937E+01    0.78582E-03   -0.46872E+00134720   0.397E+00    0.341E-01
RMM:   2    -0.819095684588E+01   -0.60757E-03   -0.19283E-03123005   0.134E-01    0.165E-01
RMM:   3    -0.819109117802E+01   -0.13433E-03   -0.74354E-05123204   0.286E-02    0.825E-02
RMM:   4    -0.819113046688E+01   -0.39289E-04   -0.18948E-05122880   0.131E-02    0.218E-02
RMM:   5    -0.819113496313E+01   -0.44963E-05   -0.13804E-06123658   0.368E-03    0.974E-03
RMM:   6    -0.819113559619E+01   -0.63306E-06   -0.26751E-07123184   0.162E-03    0.324E-03
RMM:   7    -0.819113567639E+01   -0.80196E-07   -0.31812E-08114274   0.562E-04
  30 F= -.81911357E+01 E0= -.81906200E+01  d E =-.103127E-02  mag=     0.9961
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        1/  4
  Total:              29/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819178691166E+01   -0.65132E-03   -0.18032E+00125824   0.228E+00    0.754E-02
RMM:   2    -0.819183515598E+01   -0.48244E-04   -0.54798E-04122885   0.649E-02    0.304E-02
RMM:   3    -0.819182197469E+01    0.13181E-04   -0.10366E-05122882   0.997E-03    0.199E-02
RMM:   4    -0.819182657208E+01   -0.45974E-05   -0.25800E-06122880   0.493E-03    0.628E-03
RMM:   5    -0.819182702539E+01   -0.45331E-06   -0.30764E-07122432   0.196E-03    0.373E-03
RMM:   6    -0.819182733395E+01   -0.30856E-06   -0.56014E-08116878   0.822E-04    0.657E-04
RMM:   7    -0.819182734083E+01   -0.68832E-08   -0.46061E-09104665   0.203E-04
  31 F= -.81918273E+01 E0= -.81913102E+01  d E =-.103432E-02  mag=     0.9958
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        2/  4
  Total:              30/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819183681162E+01   -0.94777E-05   -0.16929E+00131072   0.228E+00    0.151E-01
RMM:   2    -0.819186028797E+01   -0.23476E-04   -0.49523E-04122889   0.630E-02    0.605E-02
RMM:   3    -0.819180594180E+01    0.54346E-04   -0.31327E-05122881   0.171E-02    0.395E-02
RMM:   4    -0.819182421505E+01   -0.18273E-04   -0.10220E-05122880   0.966E-03    0.121E-02
RMM:   5    -0.819182597078E+01   -0.17557E-05   -0.12633E-06122871   0.396E-03    0.731E-03
RMM:   6    -0.819182731897E+01   -0.13482E-05   -0.26969E-07121973   0.181E-03    0.915E-04
RMM:   7    -0.819182733563E+01   -0.16666E-07   -0.80326E-09104254   0.260E-04
  32 F= -.81918273E+01 E0= -.81913102E+01  d E =-.103431E-02  mag=     0.9958
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        3/  4
  Total:              31/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819110559328E+01    0.72173E-03   -0.18140E+00134400   0.226E+00    0.754E-02
RMM:   2    -0.819114326372E+01   -0.37670E-04   -0.43843E-04122887   0.556E-02    0.303E-02
RMM:   3    -0.819113035818E+01    0.12906E-04   -0.96302E-06122883   0.953E-03    0.198E-02
RMM:   4    -0.819113484059E+01   -0.44824E-05   -0.25479E-06122880   0.486E-03    0.615E-03
RMM:   5    -0.819113533955E+01   -0.49895E-06   -0.30785E-07122417   0.195E-03    0.367E-03
RMM:   6    -0.819113567130E+01   -0.33175E-06   -0.66090E-08117524   0.895E-04    0.704E-04
RMM:   7    -0.819113567314E+01   -0.18362E-08   -0.20358E-09103936   0.133E-04
  33 F= -.81911357E+01 E0= -.81906200E+01  d E =-.103128E-02  mag=     0.9960
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        4/  4
  Total:              32/ 32
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 PROFILE, used timers:     435
