 running  128 mpi-ranks, with    1 threads/rank, on    1 nodes
 distrk:  each k-point on   32 cores,    4 groups
 distr:  one band on    1 cores,   32 groups
 vasp.6.4.3 19Mar24 (build Jun  3 2025 16:21:13) complex                         
 POSCAR found type information on POSCAR NiO 
 POSCAR found :  2 types and       8 ions
 Reading from existing POTCAR
 scaLAPACK will be used
 Reading from existing POTCAR
 LDA part: xc-table for (Slater+PW92), standard interpolation
 -----------------------------------------------------------------------------
|                                                                             |
|           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 = 48. Now, NBANDS = 64.                                  |
|                                                                             |
 -----------------------------------------------------------------------------

 POSCAR, INCAR and KPOINTS 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     0.416287717415E+03    0.41629E+03   -0.40076E+04 21600   0.172E+03
DAV:   2    -0.429664117320E+01   -0.42058E+03   -0.38069E+03 23872   0.299E+02
DAV:   3    -0.281047121904E+02   -0.23808E+02   -0.23554E+02 26944   0.747E+01
DAV:   4    -0.282964647085E+02   -0.19175E+00   -0.19173E+00 26400   0.675E+00
DAV:   5    -0.282989317612E+02   -0.24671E-02   -0.24670E-02 27744   0.772E-01    0.473E+01
DAV:   6    -0.442275110671E+02   -0.15929E+02   -0.14501E+02 24992   0.105E+02    0.437E+01
DAV:   7    -0.361226164091E+02    0.81049E+01   -0.31966E+01 24064   0.679E+01    0.174E+01
DAV:   8    -0.396697467527E+02   -0.35471E+01   -0.39990E+00 27008   0.212E+01    0.142E+01
DAV:   9    -0.403881711698E+02   -0.71842E+00   -0.59757E-01 28384   0.127E+01    0.621E+00
DAV:  10    -0.405884111541E+02   -0.20024E+00   -0.50391E-01 30880   0.105E+01    0.225E+00
DAV:  11    -0.405798557440E+02    0.85554E-02   -0.15072E-01 27424   0.367E+00    0.660E-01
DAV:  12    -0.405812094743E+02   -0.13537E-02   -0.23175E-02 27072   0.141E+00    0.307E-01
DAV:  13    -0.405822954201E+02   -0.10859E-02   -0.32865E-03 28768   0.497E-01    0.178E-01
DAV:  14    -0.405825802903E+02   -0.28487E-03   -0.62989E-04 30848   0.185E-01    0.810E-02
DAV:  15    -0.405825509687E+02    0.29322E-04   -0.13104E-04 28832   0.754E-02    0.419E-02
DAV:  16    -0.405825598151E+02   -0.88464E-05   -0.21594E-05 25728   0.922E-02    0.195E-02
DAV:  17    -0.405825602005E+02   -0.38542E-06   -0.68428E-06 28288   0.500E-02    0.575E-03
DAV:  18    -0.405825605585E+02   -0.35795E-06   -0.32539E-06 26368   0.808E-03    0.392E-03
DAV:  19    -0.405825606033E+02   -0.44776E-07   -0.46097E-08 20128   0.318E-03
   1 F= -.40582561E+02 E0= -.40582561E+02  d E =-.240384E-12  mag=     8.0000
 Found     2 degrees of freedom:
 Adding 6 more for cell shape distortion
 Finite differences POTIM= 0.00500 DOF=   8
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.406517963751E+02   -0.69236E-01   -0.17452E+00 67072   0.907E+00    0.211E+00
DAV:   2    -0.405883218205E+02    0.63475E-01   -0.14851E-01 57728   0.410E+00    0.134E+00
DAV:   3    -0.405787507038E+02    0.95711E-02   -0.79182E-03 58240   0.509E-01    0.814E-01
DAV:   4    -0.405758518670E+02    0.28988E-02   -0.11289E-03 63328   0.230E-01    0.330E-01
DAV:   5    -0.405747834887E+02    0.10684E-02   -0.82998E-04 70816   0.203E-01    0.590E-02
DAV:   6    -0.405747997226E+02   -0.16234E-04   -0.17746E-04 59712   0.858E-02    0.390E-02
DAV:   7    -0.405748064897E+02   -0.67671E-05   -0.11953E-05 65568   0.234E-02    0.182E-02
DAV:   8    -0.405748082274E+02   -0.17376E-05   -0.25960E-06 74624   0.164E-02    0.422E-03
DAV:   9    -0.405748082354E+02   -0.80079E-08   -0.65876E-07 60384   0.501E-03
   2 F= -.40574808E+02 E0= -.40574808E+02  d E =-.270025E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        1/  4
  Total:               1/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405985091497E+02   -0.23701E-01   -0.11502E+00 64992   0.582E+00    0.106E+00
DAV:   2    -0.405837329203E+02    0.14776E-01   -0.49316E-02 57440   0.214E+00    0.650E-01
DAV:   3    -0.405814592815E+02    0.22736E-02   -0.23070E-03 60448   0.266E-01    0.403E-01
DAV:   4    -0.405808005891E+02    0.65869E-03   -0.30167E-04 63520   0.109E-01    0.148E-01
DAV:   5    -0.405805564860E+02    0.24410E-03   -0.18853E-04 71168   0.952E-02    0.256E-02
DAV:   6    -0.405805612317E+02   -0.47456E-05   -0.39803E-05 60192   0.362E-02    0.186E-02
DAV:   7    -0.405805620088E+02   -0.77710E-06   -0.22409E-06 64480   0.106E-02    0.100E-02
DAV:   8    -0.405805618099E+02    0.19893E-06   -0.43047E-07 63872   0.784E-03    0.176E-03
DAV:   9    -0.405805618050E+02    0.48408E-08   -0.13866E-07 43744   0.222E-03
   3 F= -.40580562E+02 E0= -.40580562E+02  d E =-.656513E-25  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        2/  4
  Total:               2/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.406587766743E+02   -0.78215E-01   -0.12580E+00 65888   0.854E+00    0.211E+00
DAV:   2    -0.405947132078E+02    0.64063E-01   -0.12731E-01 61024   0.397E+00    0.131E+00
DAV:   3    -0.405848681894E+02    0.98450E-02   -0.80347E-03 56992   0.513E-01    0.802E-01
DAV:   4    -0.405821967895E+02    0.26714E-02   -0.11566E-03 62912   0.230E-01    0.312E-01
DAV:   5    -0.405812418541E+02    0.95494E-03   -0.79693E-04 69888   0.196E-01    0.547E-02
DAV:   6    -0.405812606109E+02   -0.18757E-04   -0.16306E-04 60032   0.822E-02    0.388E-02
DAV:   7    -0.405812644958E+02   -0.38849E-05   -0.98223E-06 64960   0.204E-02    0.188E-02
DAV:   8    -0.405812646133E+02   -0.11752E-06   -0.21089E-06 76384   0.153E-02    0.423E-03
DAV:   9    -0.405812645656E+02    0.47764E-07   -0.63335E-07 60288   0.486E-03
   4 F= -.40581265E+02 E0= -.40581265E+02  d E =-.143459E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        3/  4
  Total:               3/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405937391007E+02   -0.12474E-01   -0.13031E+00 65472   0.586E+00    0.108E+00
DAV:   2    -0.405791859549E+02    0.14553E-01   -0.52057E-02 55712   0.226E+00    0.701E-01
DAV:   3    -0.405767813971E+02    0.24046E-02   -0.21195E-03 58944   0.270E-01    0.426E-01
DAV:   4    -0.405760243006E+02    0.75710E-03   -0.30402E-04 63232   0.125E-01    0.165E-01
DAV:   5    -0.405757551132E+02    0.26919E-03   -0.20297E-04 71680   0.109E-01    0.328E-02
DAV:   6    -0.405757593743E+02   -0.42611E-05   -0.47140E-05 60352   0.509E-02    0.208E-02
DAV:   7    -0.405757600347E+02   -0.66039E-06   -0.35014E-06 65888   0.132E-02    0.854E-03
DAV:   8    -0.405757598435E+02    0.19118E-06   -0.88067E-07 69536   0.888E-03    0.178E-03
DAV:   9    -0.405757598229E+02    0.20622E-07   -0.15487E-07 48032   0.215E-03
   5 F= -.40575760E+02 E0= -.40575760E+02  d E =-.345245E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   1/  8
  Displacement:        4/  4
  Total:               4/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.408144637081E+02   -0.23870E+00   -0.43065E+00 64000   0.171E+01    0.365E+00
DAV:   2    -0.406121536312E+02    0.20231E+00   -0.50027E-01 61792   0.782E+00    0.237E+00
DAV:   3    -0.405892116534E+02    0.22942E-01   -0.24871E-02 57888   0.854E-01    0.139E+00
DAV:   4    -0.405817637285E+02    0.74479E-02   -0.19641E-03 62944   0.290E-01    0.616E-01
DAV:   5    -0.405758465350E+02    0.59172E-02   -0.16180E-03 70272   0.301E-01    0.108E-01
DAV:   6    -0.405749818946E+02    0.86464E-03   -0.46908E-04 64864   0.137E-01    0.667E-02
DAV:   7    -0.405749126005E+02    0.69294E-04   -0.37364E-05 66752   0.461E-02    0.333E-02
DAV:   8    -0.405747039179E+02    0.20868E-03   -0.11227E-05 75968   0.327E-02    0.859E-03
DAV:   9    -0.405746992452E+02    0.46727E-05   -0.26024E-06 61600   0.975E-03    0.207E-03
DAV:  10    -0.405746945852E+02    0.46599E-05   -0.76666E-08 44960   0.309E-03    0.155E-03
DAV:  11    -0.405746959861E+02   -0.14009E-05   -0.10914E-08 31040   0.112E-03    0.583E-04
DAV:  12    -0.405746957940E+02    0.19211E-06   -0.11011E-08 29792   0.814E-04    0.140E-04
DAV:  13    -0.405746956947E+02    0.99241E-07   -0.14676E-09 29440   0.213E-04
   6 F= -.40574696E+02 E0= -.40574696E+02  d E =-.228582E-17  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        1/  4
  Total:               5/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405985644204E+02   -0.23869E-01   -0.10699E+00 67328   0.560E+00    0.106E+00
DAV:   2    -0.405836577363E+02    0.14907E-01   -0.47473E-02 55456   0.213E+00    0.652E-01
DAV:   3    -0.405813638317E+02    0.22939E-02   -0.22920E-03 61792   0.265E-01    0.403E-01
DAV:   4    -0.405807030589E+02    0.66077E-03   -0.29152E-04 63296   0.111E-01    0.149E-01
DAV:   5    -0.405804563193E+02    0.24674E-03   -0.19262E-04 70912   0.973E-02    0.261E-02
DAV:   6    -0.405804609357E+02   -0.46163E-05   -0.40873E-05 59424   0.396E-02    0.189E-02
DAV:   7    -0.405804616954E+02   -0.75977E-06   -0.24291E-06 65344   0.107E-02    0.889E-03
DAV:   8    -0.405804614934E+02    0.20203E-06   -0.51733E-07 64512   0.769E-03    0.167E-03
DAV:   9    -0.405804614731E+02    0.20284E-07   -0.15790E-07 43616   0.231E-03
   7 F= -.40580461E+02 E0= -.40580461E+02  d E =-.550939E-20  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        2/  4
  Total:               6/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.406585978651E+02   -0.78136E-01   -0.13074E+00 66208   0.853E+00    0.211E+00
DAV:   2    -0.405946536815E+02    0.63944E-01   -0.12872E-01 59744   0.399E+00    0.131E+00
DAV:   3    -0.405848129350E+02    0.98407E-02   -0.80475E-03 57632   0.513E-01    0.803E-01
DAV:   4    -0.405821286721E+02    0.26843E-02   -0.11492E-03 62528   0.232E-01    0.313E-01
DAV:   5    -0.405811679099E+02    0.96076E-03   -0.80334E-04 70112   0.197E-01    0.552E-02
DAV:   6    -0.405811862411E+02   -0.18331E-04   -0.16518E-04 60224   0.839E-02    0.390E-02
DAV:   7    -0.405811901983E+02   -0.39572E-05   -0.10088E-05 64544   0.207E-02    0.185E-02
DAV:   8    -0.405811902935E+02   -0.95212E-07   -0.21915E-06 76000   0.153E-02    0.416E-03
DAV:   9    -0.405811902218E+02    0.71756E-07   -0.65175E-07 60000   0.490E-03
   8 F= -.40581190E+02 E0= -.40581190E+02  d E =-.529137E-24  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        3/  4
  Total:               7/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405937707756E+02   -0.12580E-01   -0.12124E+00 66688   0.575E+00    0.108E+00
DAV:   2    -0.405791187803E+02    0.14652E-01   -0.50733E-02 56096   0.223E+00    0.696E-01
DAV:   3    -0.405767057306E+02    0.24130E-02   -0.21078E-03 58656   0.266E-01    0.422E-01
DAV:   4    -0.405759586736E+02    0.74706E-03   -0.30439E-04 62912   0.123E-01    0.165E-01
DAV:   5    -0.405756941512E+02    0.26452E-03   -0.20168E-04 71104   0.106E-01    0.320E-02
DAV:   6    -0.405756985922E+02   -0.44410E-05   -0.46184E-05 60416   0.485E-02    0.206E-02
DAV:   7    -0.405756993058E+02   -0.71356E-06   -0.32620E-06 65824   0.128E-02    0.877E-03
DAV:   8    -0.405756991135E+02    0.19224E-06   -0.80055E-07 67712   0.862E-03    0.177E-03
DAV:   9    -0.405756990891E+02    0.24425E-07   -0.15499E-07 45376   0.219E-03
   9 F= -.40575699E+02 E0= -.40575699E+02  d E =-.346443E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   2/  8
  Displacement:        4/  4
  Total:               8/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.407881860772E+02   -0.21249E+00   -0.39948E+00 64352   0.169E+01    0.367E+00
DAV:   2    -0.405900701329E+02    0.19812E+00   -0.49498E-01 60608   0.787E+00    0.239E+00
DAV:   3    -0.405778426316E+02    0.12228E-01   -0.26675E-02 56256   0.885E-01    0.141E+00
DAV:   4    -0.405740092056E+02    0.38334E-02   -0.21609E-03 66656   0.293E-01    0.642E-01
DAV:   5    -0.405737194949E+02    0.28971E-03   -0.18183E-03 66688   0.308E-01    0.114E-01
DAV:   6    -0.405745226719E+02   -0.80318E-03   -0.51432E-04 61376   0.144E-01    0.582E-02
DAV:   7    -0.405746064285E+02   -0.83757E-04   -0.39698E-05 66816   0.417E-02    0.293E-02
DAV:   8    -0.405748182316E+02   -0.21180E-03   -0.10053E-05 75936   0.295E-02    0.976E-03
DAV:   9    -0.405748287255E+02   -0.10494E-04   -0.25455E-06 60000   0.101E-02    0.269E-03
DAV:  10    -0.405748341006E+02   -0.53751E-05   -0.90939E-08 50368   0.308E-03    0.187E-03
DAV:  11    -0.405748322968E+02    0.18038E-05   -0.12860E-08 31712   0.120E-03    0.520E-04
DAV:  12    -0.405748323329E+02   -0.36160E-07   -0.11938E-08 29696   0.891E-04
  10 F= -.40574832E+02 E0= -.40574832E+02  d E =-.230515E-17  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        1/  4
  Total:               9/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405987185538E+02   -0.23886E-01   -0.11325E+00 66816   0.566E+00    0.106E+00
DAV:   2    -0.405838132946E+02    0.14905E-01   -0.47821E-02 53984   0.215E+00    0.652E-01
DAV:   3    -0.405815127153E+02    0.23006E-02   -0.23233E-03 61248   0.267E-01    0.402E-01
DAV:   4    -0.405808546694E+02    0.65805E-03   -0.29696E-04 63872   0.114E-01    0.151E-01
DAV:   5    -0.405806086889E+02    0.24598E-03   -0.19560E-04 72576   0.994E-02    0.263E-02
DAV:   6    -0.405806128078E+02   -0.41190E-05   -0.41786E-05 58464   0.433E-02    0.187E-02
DAV:   7    -0.405806134518E+02   -0.64400E-06   -0.26527E-06 65664   0.110E-02    0.818E-03
DAV:   8    -0.405806131209E+02    0.33096E-06   -0.61166E-07 65760   0.775E-03    0.177E-03
DAV:   9    -0.405806130846E+02    0.36275E-07   -0.16877E-07 44032   0.234E-03
  11 F= -.40580613E+02 E0= -.40580613E+02  d E =-.554417E-20  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        2/  4
  Total:              10/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.406589077062E+02   -0.78295E-01   -0.12416E+00 67712   0.842E+00    0.211E+00
DAV:   2    -0.405948445158E+02    0.64063E-01   -0.12716E-01 58112   0.398E+00    0.131E+00
DAV:   3    -0.405849755187E+02    0.98690E-02   -0.81236E-03 57088   0.515E-01    0.801E-01
DAV:   4    -0.405823071759E+02    0.26683E-02   -0.11565E-03 63456   0.233E-01    0.313E-01
DAV:   5    -0.405813517783E+02    0.95540E-03   -0.80578E-04 70496   0.197E-01    0.551E-02
DAV:   6    -0.405813689984E+02   -0.17220E-04   -0.16497E-04 59552   0.858E-02    0.390E-02
DAV:   7    -0.405813728170E+02   -0.38186E-05   -0.10359E-05 64736   0.206E-02    0.184E-02
DAV:   8    -0.405813726369E+02    0.18006E-06   -0.22332E-06 76128   0.152E-02    0.422E-03
DAV:   9    -0.405813725316E+02    0.10531E-06   -0.68223E-07 60256   0.497E-03    0.121E-03
DAV:  10    -0.405813724575E+02    0.74080E-07   -0.22073E-08 33248   0.174E-03
  12 F= -.40581372E+02 E0= -.40581372E+02  d E =-.500237E-24  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        3/  4
  Total:              11/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405937632227E+02   -0.12391E-01   -0.13094E+00 67872   0.593E+00    0.108E+00
DAV:   2    -0.405792980253E+02    0.14465E-01   -0.53049E-02 53952   0.226E+00    0.707E-01
DAV:   3    -0.405769272151E+02    0.23708E-02   -0.21534E-03 58528   0.265E-01    0.428E-01
DAV:   4    -0.405761645685E+02    0.76265E-03   -0.30502E-04 63968   0.122E-01    0.166E-01
DAV:   5    -0.405758926412E+02    0.27193E-03   -0.20474E-04 71424   0.108E-01    0.321E-02
DAV:   6    -0.405758968525E+02   -0.42113E-05   -0.47469E-05 60064   0.483E-02    0.205E-02
DAV:   7    -0.405758974762E+02   -0.62366E-06   -0.31995E-06 65632   0.127E-02    0.883E-03
DAV:   8    -0.405758971777E+02    0.29847E-06   -0.78000E-07 68000   0.866E-03    0.176E-03
DAV:   9    -0.405758971408E+02    0.36922E-07   -0.15621E-07 45120   0.222E-03
  13 F= -.40575897E+02 E0= -.40575897E+02  d E =-.342992E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   3/  8
  Displacement:        4/  4
  Total:              12/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.406669536000E+02   -0.91056E-01   -0.22048E+00184384   0.971E+00    0.231E+00
DAV:   2    -0.405973931560E+02    0.69560E-01   -0.16836E-01146784   0.434E+00    0.151E+00
DAV:   3    -0.405851817120E+02    0.12211E-01   -0.10482E-02158784   0.615E-01    0.916E-01
DAV:   4    -0.405816500712E+02    0.35316E-02   -0.16651E-03180416   0.297E-01    0.348E-01
DAV:   5    -0.405805889797E+02    0.10611E-02   -0.10390E-03195648   0.233E-01    0.663E-02
DAV:   6    -0.405806267287E+02   -0.37749E-04   -0.21595E-04167136   0.104E-01    0.426E-02
DAV:   7    -0.405806541865E+02   -0.27458E-04   -0.58521E-05176096   0.434E-02    0.222E-02
DAV:   8    -0.405806728006E+02   -0.18614E-04   -0.49713E-05189760   0.377E-02    0.105E-02
DAV:   9    -0.405806802858E+02   -0.74852E-05   -0.14702E-05183200   0.183E-02    0.827E-03
DAV:  10    -0.405806951741E+02   -0.14888E-04   -0.77219E-05165280   0.407E-02    0.601E-03
DAV:  11    -0.405807052046E+02   -0.10031E-04   -0.67802E-05189600   0.369E-02    0.431E-03
DAV:  12    -0.405807104126E+02   -0.52079E-05   -0.32302E-05185984   0.248E-02    0.351E-03
DAV:  13    -0.405807162344E+02   -0.58218E-05   -0.91979E-05175040   0.418E-02    0.215E-03
DAV:  14    -0.405807178715E+02   -0.16371E-05   -0.22341E-05182656   0.201E-02    0.145E-03
DAV:  15    -0.405807185908E+02   -0.71930E-06   -0.16512E-05182144   0.178E-02    0.562E-04
DAV:  16    -0.405807187111E+02   -0.12031E-06   -0.23098E-06153760   0.665E-03    0.248E-04
DAV:  17    -0.405807187228E+02   -0.11750E-07   -0.94133E-08112416   0.134E-03
  14 F= -.40580719E+02 E0= -.40580719E+02  d E =-.130380E-21  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        1/  4
  Total:              13/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405839100701E+02   -0.31914E-02   -0.74086E-01174976   0.385E+00    0.433E-01
DAV:   2    -0.405831666427E+02    0.74343E-03   -0.88330E-03148224   0.618E-01    0.272E-01
DAV:   3    -0.405821234535E+02    0.10432E-02   -0.71056E-04198144   0.202E-01    0.170E-01
DAV:   4    -0.405823601420E+02   -0.23669E-03   -0.11186E-04178784   0.805E-02    0.272E-02
DAV:   5    -0.405823701460E+02   -0.10004E-04   -0.17547E-05179616   0.234E-02    0.157E-02
DAV:   6    -0.405823756974E+02   -0.55514E-05   -0.97958E-06182752   0.161E-02    0.874E-03
DAV:   7    -0.405823820689E+02   -0.63715E-05   -0.19597E-05175936   0.203E-02    0.472E-03
DAV:   8    -0.405823845252E+02   -0.24564E-05   -0.48203E-06177728   0.990E-03    0.414E-03
DAV:   9    -0.405823889162E+02   -0.43909E-05   -0.23072E-05162016   0.221E-02    0.302E-03
DAV:  10    -0.405823925521E+02   -0.36359E-05   -0.35621E-05185216   0.271E-02    0.213E-03
DAV:  11    -0.405823938282E+02   -0.12761E-05   -0.85725E-06170784   0.125E-02    0.185E-03
DAV:  12    -0.405823955231E+02   -0.16949E-05   -0.53500E-05171616   0.320E-02    0.958E-04
DAV:  13    -0.405823957003E+02   -0.17722E-06   -0.37784E-06160256   0.823E-03    0.388E-04
DAV:  14    -0.405823957273E+02   -0.27001E-07   -0.15171E-07113664   0.193E-03
  15 F= -.40582396E+02 E0= -.40582396E+02  d E =-.342154E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        2/  4
  Total:              14/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405913730863E+02   -0.89774E-02   -0.34781E-01178048   0.252E+00    0.865E-01
DAV:   2    -0.405855448557E+02    0.58282E-02   -0.65278E-03161184   0.809E-01    0.533E-01
DAV:   3    -0.405811496140E+02    0.43952E-02   -0.23950E-03176640   0.407E-01    0.269E-01
DAV:   4    -0.405822670095E+02   -0.11174E-02   -0.48364E-04187072   0.169E-01    0.502E-02
DAV:   5    -0.405822936731E+02   -0.26664E-04   -0.66070E-05174496   0.461E-02    0.303E-02
DAV:   6    -0.405823206344E+02   -0.26961E-04   -0.59517E-05184704   0.404E-02    0.159E-02
DAV:   7    -0.405823414192E+02   -0.20785E-04   -0.58006E-05180832   0.331E-02    0.935E-03
DAV:   8    -0.405823524814E+02   -0.11062E-04   -0.24415E-05190336   0.225E-02    0.814E-03
DAV:   9    -0.405823776705E+02   -0.25189E-04   -0.25486E-04155808   0.743E-02    0.500E-03
DAV:  10    -0.405823848996E+02   -0.72291E-05   -0.50881E-05197344   0.307E-02    0.436E-03
DAV:  11    -0.405823885950E+02   -0.36954E-05   -0.20113E-05189920   0.192E-02    0.370E-03
DAV:  12    -0.405823952093E+02   -0.66143E-05   -0.25660E-04165024   0.701E-02    0.141E-03
DAV:  13    -0.405823956470E+02   -0.43770E-06   -0.50135E-06172032   0.945E-03    0.685E-04
DAV:  14    -0.405823957095E+02   -0.62509E-07   -0.27494E-07128320   0.252E-03
  16 F= -.40582396E+02 E0= -.40582396E+02  d E =-.343858E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        3/  4
  Total:              15/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405824226196E+02   -0.26973E-04   -0.78050E-01174400   0.375E+00    0.433E-01
DAV:   2    -0.405814978426E+02    0.92478E-03   -0.68089E-03153664   0.501E-01    0.266E-01
DAV:   3    -0.405804177051E+02    0.10801E-02   -0.71168E-04194048   0.211E-01    0.126E-01
DAV:   4    -0.405806871588E+02   -0.26945E-03   -0.13517E-04182240   0.885E-02    0.254E-02
DAV:   5    -0.405806933155E+02   -0.61567E-05   -0.17261E-05176064   0.245E-02    0.151E-02
DAV:   6    -0.405807000824E+02   -0.67669E-05   -0.15725E-05188960   0.211E-02    0.755E-03
DAV:   7    -0.405807051902E+02   -0.51077E-05   -0.13871E-05181056   0.160E-02    0.481E-03
DAV:   8    -0.405807075930E+02   -0.24028E-05   -0.44544E-06174624   0.976E-03    0.416E-03
DAV:   9    -0.405807129738E+02   -0.53808E-05   -0.38757E-05159680   0.291E-02    0.275E-03
DAV:  10    -0.405807156129E+02   -0.26391E-05   -0.21403E-05189440   0.207E-02    0.218E-03
DAV:  11    -0.405807168942E+02   -0.12813E-05   -0.10042E-05168480   0.140E-02    0.204E-03
DAV:  12    -0.405807184150E+02   -0.15209E-05   -0.37476E-05165920   0.268E-02    0.107E-03
DAV:  13    -0.405807186881E+02   -0.27309E-06   -0.68176E-06169216   0.113E-02    0.374E-04
DAV:  14    -0.405807187144E+02   -0.26291E-07   -0.18231E-07119040   0.184E-03
  17 F= -.40580719E+02 E0= -.40580719E+02  d E =-.131844E-21  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   4/  8
  Displacement:        4/  4
  Total:              16/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405984920053E+02   -0.17773E-01   -0.13431E+00178880   0.495E+00    0.118E+00
DAV:   2    -0.405870448783E+02    0.11447E-01   -0.27465E-02153824   0.148E+00    0.726E-01
DAV:   3    -0.405776492537E+02    0.93956E-02   -0.14820E-02193888   0.135E+00    0.384E-01
DAV:   4    -0.405805787188E+02   -0.29295E-02   -0.81811E-03196704   0.883E-01    0.582E-02
DAV:   5    -0.405806290271E+02   -0.50308E-04   -0.30998E-04164576   0.932E-02    0.374E-02
DAV:   6    -0.405806540471E+02   -0.25020E-04   -0.98553E-05189888   0.621E-02    0.183E-02
DAV:   7    -0.405806696336E+02   -0.15587E-04   -0.52713E-05190848   0.369E-02    0.106E-02
DAV:   8    -0.405806773810E+02   -0.77474E-05   -0.13544E-05193024   0.175E-02    0.854E-03
DAV:   9    -0.405806968087E+02   -0.19428E-04   -0.13611E-04163168   0.545E-02    0.554E-03
DAV:  10    -0.405807070542E+02   -0.10245E-04   -0.82681E-05189088   0.408E-02    0.437E-03
DAV:  11    -0.405807106128E+02   -0.35586E-05   -0.16843E-05190784   0.177E-02    0.379E-03
DAV:  12    -0.405807182831E+02   -0.76703E-05   -0.22280E-04168800   0.654E-02    0.175E-03
DAV:  13    -0.405807191871E+02   -0.90401E-06   -0.17998E-05177728   0.181E-02    0.809E-04
DAV:  14    -0.405807192777E+02   -0.90636E-07   -0.82947E-07145216   0.393E-03
  18 F= -.40580719E+02 E0= -.40580719E+02  d E =-.172778E-21  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        1/  4
  Total:              17/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405839668754E+02   -0.32477E-02   -0.74284E-01175008   0.382E+00    0.433E-01
DAV:   2    -0.405831672921E+02    0.79958E-03   -0.82351E-03155424   0.607E-01    0.271E-01
DAV:   3    -0.405821087274E+02    0.10586E-02   -0.71922E-04199456   0.203E-01    0.163E-01
DAV:   4    -0.405823611398E+02   -0.25241E-03   -0.11122E-04179360   0.810E-02    0.262E-02
DAV:   5    -0.405823703649E+02   -0.92251E-05   -0.17797E-05177536   0.228E-02    0.154E-02
DAV:   6    -0.405823761522E+02   -0.57872E-05   -0.10447E-05183904   0.162E-02    0.862E-03
DAV:   7    -0.405823823872E+02   -0.62350E-05   -0.19095E-05175904   0.199E-02    0.464E-03
DAV:   8    -0.405823850968E+02   -0.27096E-05   -0.59276E-06182144   0.110E-02    0.405E-03
DAV:   9    -0.405823901042E+02   -0.50074E-05   -0.33668E-05158624   0.268E-02    0.272E-03
DAV:  10    -0.405823928867E+02   -0.27825E-05   -0.24065E-05188992   0.220E-02    0.212E-03
DAV:  11    -0.405823941231E+02   -0.12363E-05   -0.83240E-06163200   0.124E-02    0.181E-03
DAV:  12    -0.405823957408E+02   -0.16177E-05   -0.58209E-05172864   0.334E-02    0.850E-04
DAV:  13    -0.405823958688E+02   -0.12809E-06   -0.16670E-06156416   0.540E-03    0.385E-04
DAV:  14    -0.405823958906E+02   -0.21797E-07   -0.10601E-07107456   0.161E-03
  19 F= -.40582396E+02 E0= -.40582396E+02  d E =-.100145E-21  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        2/  4
  Total:              18/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405913894736E+02   -0.89936E-02   -0.35986E-01178624   0.257E+00    0.865E-01
DAV:   2    -0.405855468669E+02    0.58426E-02   -0.64136E-03165088   0.801E-01    0.532E-01
DAV:   3    -0.405811560623E+02    0.43908E-02   -0.23994E-03178368   0.407E-01    0.267E-01
DAV:   4    -0.405822669596E+02   -0.11109E-02   -0.48638E-04185504   0.170E-01    0.501E-02
DAV:   5    -0.405822935984E+02   -0.26639E-04   -0.66824E-05175392   0.462E-02    0.304E-02
DAV:   6    -0.405823205944E+02   -0.26996E-04   -0.59443E-05186656   0.404E-02    0.160E-02
DAV:   7    -0.405823414897E+02   -0.20895E-04   -0.58084E-05179872   0.332E-02    0.934E-03
DAV:   8    -0.405823527663E+02   -0.11277E-04   -0.25243E-05189760   0.229E-02    0.811E-03
DAV:   9    -0.405823784414E+02   -0.25675E-04   -0.27018E-04155328   0.766E-02    0.501E-03
DAV:  10    -0.405823851954E+02   -0.67540E-05   -0.45296E-05198912   0.288E-02    0.437E-03
DAV:  11    -0.405823892249E+02   -0.40295E-05   -0.24357E-05189056   0.212E-02    0.359E-03
DAV:  12    -0.405823953753E+02   -0.61504E-05   -0.23521E-04166304   0.673E-02    0.133E-03
DAV:  13    -0.405823958028E+02   -0.42752E-06   -0.47872E-06170976   0.920E-03    0.665E-04
DAV:  14    -0.405823958646E+02   -0.61747E-07   -0.28120E-07129440   0.253E-03
  20 F= -.40582396E+02 E0= -.40582396E+02  d E =-.461145E-24  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        3/  4
  Total:              19/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405824530443E+02   -0.57241E-04   -0.76948E-01174912   0.372E+00    0.433E-01
DAV:   2    -0.405814979375E+02    0.95511E-03   -0.65383E-03156224   0.492E-01    0.266E-01
DAV:   3    -0.405804182224E+02    0.10797E-02   -0.71317E-04194720   0.212E-01    0.126E-01
DAV:   4    -0.405806876777E+02   -0.26946E-03   -0.13385E-04181248   0.888E-02    0.253E-02
DAV:   5    -0.405806938218E+02   -0.61441E-05   -0.16902E-05178336   0.244E-02    0.149E-02
DAV:   6    -0.405807005982E+02   -0.67764E-05   -0.15678E-05187584   0.212E-02    0.751E-03
DAV:   7    -0.405807056957E+02   -0.50976E-05   -0.13614E-05181600   0.159E-02    0.490E-03
DAV:   8    -0.405807080005E+02   -0.23048E-05   -0.40212E-06172576   0.936E-03    0.418E-03
DAV:   9    -0.405807133486E+02   -0.53481E-05   -0.36596E-05159520   0.282E-02    0.283E-03
DAV:  10    -0.405807161388E+02   -0.27901E-05   -0.22685E-05189504   0.213E-02    0.219E-03
DAV:  11    -0.405807175077E+02   -0.13690E-05   -0.11218E-05170688   0.148E-02    0.206E-03
DAV:  12    -0.405807189902E+02   -0.14824E-05   -0.33363E-05165088   0.253E-02    0.111E-03
DAV:  13    -0.405807193050E+02   -0.31489E-06   -0.84326E-06171392   0.125E-02    0.389E-04
DAV:  14    -0.405807193346E+02   -0.29598E-07   -0.21919E-07122432   0.204E-03
  21 F= -.40580719E+02 E0= -.40580719E+02  d E =-.512342E-20  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   5/  8
  Displacement:        4/  4
  Total:              20/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.406003186701E+02   -0.19599E-01   -0.13413E+00180768   0.486E+00    0.118E+00
DAV:   2    -0.405880020941E+02    0.12317E-01   -0.26090E-02163456   0.146E+00    0.726E-01
DAV:   3    -0.405779829101E+02    0.10019E-01   -0.14778E-02194496   0.135E+00    0.384E-01
DAV:   4    -0.405805910433E+02   -0.26081E-02   -0.81639E-03195456   0.884E-01    0.581E-02
DAV:   5    -0.405806576119E+02   -0.66569E-04   -0.31837E-04164512   0.938E-02    0.373E-02
DAV:   6    -0.405806668846E+02   -0.92727E-05   -0.96746E-05188864   0.612E-02    0.183E-02
DAV:   7    -0.405806712041E+02   -0.43196E-05   -0.55411E-05191296   0.376E-02    0.108E-02
DAV:   8    -0.405806779894E+02   -0.67853E-05   -0.13029E-05192000   0.174E-02    0.860E-03
DAV:   9    -0.405806957027E+02   -0.17713E-04   -0.12511E-04164576   0.520E-02    0.578E-03
DAV:  10    -0.405807060203E+02   -0.10318E-04   -0.88006E-05189696   0.421E-02    0.442E-03
DAV:  11    -0.405807097287E+02   -0.37084E-05   -0.21764E-05191520   0.202E-02    0.385E-03
DAV:  12    -0.405807174815E+02   -0.77528E-05   -0.21632E-04169280   0.644E-02    0.182E-03
DAV:  13    -0.405807188453E+02   -0.13638E-05   -0.21725E-05179008   0.200E-02    0.829E-04
DAV:  14    -0.405807188472E+02   -0.18579E-08   -0.99034E-07147328   0.428E-03
  22 F= -.40580719E+02 E0= -.40580719E+02  d E =-.504673E-20  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        1/  4
  Total:              21/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405839483001E+02   -0.32295E-02   -0.73760E-01173920   0.382E+00    0.432E-01
DAV:   2    -0.405831672845E+02    0.78102E-03   -0.84290E-03152928   0.612E-01    0.271E-01
DAV:   3    -0.405821131203E+02    0.10542E-02   -0.72240E-04198368   0.203E-01    0.166E-01
DAV:   4    -0.405823605561E+02   -0.24744E-03   -0.11170E-04177120   0.807E-02    0.268E-02
DAV:   5    -0.405823702013E+02   -0.96452E-05   -0.17654E-05178112   0.231E-02    0.156E-02
DAV:   6    -0.405823758955E+02   -0.56942E-05   -0.10348E-05182880   0.162E-02    0.866E-03
DAV:   7    -0.405823821792E+02   -0.62837E-05   -0.19567E-05176768   0.201E-02    0.469E-03
DAV:   8    -0.405823846589E+02   -0.24798E-05   -0.49758E-06178464   0.100E-02    0.412E-03
DAV:   9    -0.405823894679E+02   -0.48090E-05   -0.29217E-05159936   0.248E-02    0.289E-03
DAV:  10    -0.405823926863E+02   -0.32184E-05   -0.29686E-05187904   0.245E-02    0.213E-03
DAV:  11    -0.405823939237E+02   -0.12374E-05   -0.80094E-06166912   0.121E-02    0.186E-03
DAV:  12    -0.405823956594E+02   -0.17357E-05   -0.57029E-05171296   0.331E-02    0.948E-04
DAV:  13    -0.405823958264E+02   -0.16705E-06   -0.31601E-06159616   0.751E-03    0.398E-04
DAV:  14    -0.405823958536E+02   -0.27162E-07   -0.14849E-07111168   0.190E-03
  23 F= -.40582396E+02 E0= -.40582396E+02  d E =-.324947E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        2/  4
  Total:              22/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405913925652E+02   -0.89967E-02   -0.35840E-01176832   0.257E+00    0.865E-01
DAV:   2    -0.405855475355E+02    0.58450E-02   -0.63679E-03164704   0.798E-01    0.533E-01
DAV:   3    -0.405811519938E+02    0.43955E-02   -0.23932E-03176032   0.407E-01    0.268E-01
DAV:   4    -0.405822663348E+02   -0.11143E-02   -0.48970E-04185280   0.169E-01    0.503E-02
DAV:   5    -0.405822928762E+02   -0.26541E-04   -0.66025E-05175968   0.461E-02    0.305E-02
DAV:   6    -0.405823199438E+02   -0.27068E-04   -0.60614E-05186976   0.406E-02    0.160E-02
DAV:   7    -0.405823408502E+02   -0.20906E-04   -0.58750E-05180320   0.333E-02    0.937E-03
DAV:   8    -0.405823521243E+02   -0.11274E-04   -0.25348E-05189952   0.229E-02    0.815E-03
DAV:   9    -0.405823779191E+02   -0.25795E-04   -0.27158E-04154976   0.765E-02    0.503E-03
DAV:  10    -0.405823847956E+02   -0.68765E-05   -0.45941E-05199232   0.290E-02    0.438E-03
DAV:  11    -0.405823887577E+02   -0.39620E-05   -0.23024E-05189472   0.206E-02    0.369E-03
DAV:  12    -0.405823953106E+02   -0.65529E-05   -0.25144E-04164352   0.696E-02    0.142E-03
DAV:  13    -0.405823957609E+02   -0.45029E-06   -0.52360E-06171296   0.969E-03    0.679E-04
DAV:  14    -0.405823958258E+02   -0.64952E-07   -0.29435E-07129632   0.258E-03
  24 F= -.40582396E+02 E0= -.40582396E+02  d E =-.325198E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        3/  4
  Total:              23/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405824434819E+02   -0.47721E-04   -0.76844E-01174112   0.372E+00    0.433E-01
DAV:   2    -0.405814977487E+02    0.94573E-03   -0.66229E-03157280   0.496E-01    0.266E-01
DAV:   3    -0.405804177359E+02    0.10800E-02   -0.71101E-04192672   0.212E-01    0.125E-01
DAV:   4    -0.405806873872E+02   -0.26965E-03   -0.13421E-04182368   0.887E-02    0.253E-02
DAV:   5    -0.405806935272E+02   -0.61400E-05   -0.17151E-05176000   0.244E-02    0.150E-02
DAV:   6    -0.405807003051E+02   -0.67779E-05   -0.15918E-05188192   0.211E-02    0.751E-03
DAV:   7    -0.405807054279E+02   -0.51229E-05   -0.13946E-05181280   0.160E-02    0.488E-03
DAV:   8    -0.405807077770E+02   -0.23491E-05   -0.42278E-06172896   0.952E-03    0.419E-03
DAV:   9    -0.405807132197E+02   -0.54427E-05   -0.38712E-05159680   0.289E-02    0.280E-03
DAV:  10    -0.405807159846E+02   -0.27649E-05   -0.22813E-05189088   0.213E-02    0.220E-03
DAV:  11    -0.405807173563E+02   -0.13718E-05   -0.11442E-05171040   0.149E-02    0.207E-03
DAV:  12    -0.405807188626E+02   -0.15063E-05   -0.35491E-05165472   0.261E-02    0.110E-03
DAV:  13    -0.405807191594E+02   -0.29683E-06   -0.76977E-06169696   0.120E-02    0.392E-04
DAV:  14    -0.405807191887E+02   -0.29265E-07   -0.20127E-07121216   0.197E-03
  25 F= -.40580719E+02 E0= -.40580719E+02  d E =-.130549E-21  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   6/  8
  Displacement:        4/  4
  Total:              24/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405899257538E+02   -0.92066E-02   -0.10973E+00 64512   0.430E+00    0.905E-01
DAV:   2    -0.405861537949E+02    0.37720E-02   -0.26432E-02 64064   0.131E+00    0.538E-01
DAV:   3    -0.405828622224E+02    0.32916E-02   -0.70543E-03 74048   0.872E-01    0.334E-01
DAV:   4    -0.405824170048E+02    0.44522E-03   -0.43807E-03 73920   0.556E-01    0.311E-02
DAV:   5    -0.405824685884E+02   -0.51584E-04   -0.24716E-04 70304   0.967E-02    0.663E-03
DAV:   6    -0.405824666727E+02    0.19157E-05   -0.77445E-06 63488   0.161E-02    0.357E-03
DAV:   7    -0.405824667102E+02   -0.37563E-07   -0.95014E-07 70400   0.500E-03
  26 F= -.40582467E+02 E0= -.40582467E+02  d E =-.205332E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        1/  4
  Total:              25/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405819692776E+02    0.49740E-03   -0.38148E-01 50176   0.188E+00    0.204E-01
DAV:   2    -0.405826921390E+02   -0.72286E-03   -0.18720E-03 59040   0.193E-01    0.106E-01
DAV:   3    -0.405827768743E+02   -0.84735E-04   -0.45984E-05 65632   0.331E-02    0.399E-02
DAV:   4    -0.405827940754E+02   -0.17201E-04   -0.85704E-06 59840   0.136E-02    0.115E-02
DAV:   5    -0.405827954418E+02   -0.13664E-05   -0.88922E-07 59840   0.446E-03    0.207E-03
DAV:   6    -0.405827954543E+02   -0.12449E-07   -0.56138E-08 52000   0.114E-03
  27 F= -.40582795E+02 E0= -.40582795E+02  d E =-.204688E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        2/  4
  Total:              26/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405799840113E+02    0.28114E-02   -0.31812E-01 50176   0.179E+00    0.408E-01
DAV:   2    -0.405823845830E+02   -0.24006E-02   -0.24546E-03 59456   0.229E-01    0.213E-01
DAV:   3    -0.405827248880E+02   -0.34030E-03   -0.15966E-04 63104   0.616E-02    0.800E-02
DAV:   4    -0.405827900458E+02   -0.65158E-04   -0.38304E-05 59712   0.285E-02    0.230E-02
DAV:   5    -0.405827954726E+02   -0.54268E-05   -0.35506E-06 59264   0.945E-03    0.389E-03
DAV:   6    -0.405827954600E+02    0.12595E-07   -0.22722E-07 64320   0.219E-03
  28 F= -.40582795E+02 E0= -.40582795E+02  d E =-.204731E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        3/  4
  Total:              27/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405816552013E+02    0.11403E-02   -0.38034E-01 50240   0.186E+00    0.205E-01
DAV:   2    -0.405823630231E+02   -0.70782E-03   -0.16553E-03 60384   0.186E-01    0.107E-01
DAV:   3    -0.405824495839E+02   -0.86561E-04   -0.45869E-05 63552   0.331E-02    0.403E-02
DAV:   4    -0.405824652005E+02   -0.15617E-04   -0.10594E-05 60576   0.146E-02    0.117E-02
DAV:   5    -0.405824666186E+02   -0.14181E-05   -0.95394E-07 60480   0.474E-03    0.205E-03
DAV:   6    -0.405824666076E+02    0.11018E-07   -0.46155E-08 51648   0.104E-03
  29 F= -.40582467E+02 E0= -.40582467E+02  d E =-.204873E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   7/  8
  Displacement:        4/  4
  Total:              28/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405795451972E+02    0.29214E-02   -0.95602E-01 50176   0.359E+00    0.411E-01
DAV:   2    -0.405821092649E+02   -0.25641E-02   -0.62680E-03 61504   0.383E-01    0.212E-01
DAV:   3    -0.405824114918E+02   -0.30223E-03   -0.23949E-04 62176   0.755E-02    0.817E-02
DAV:   4    -0.405824709717E+02   -0.59480E-04   -0.93519E-05 63616   0.446E-02    0.252E-02
DAV:   5    -0.405824773709E+02   -0.63991E-05   -0.10515E-05 57376   0.143E-02    0.963E-03
DAV:   6    -0.405824776553E+02   -0.28447E-06   -0.89565E-07 65152   0.492E-03    0.335E-03
DAV:   7    -0.405824777800E+02   -0.12470E-06   -0.28310E-07 60192   0.240E-03    0.110E-03
DAV:   8    -0.405824777957E+02   -0.15692E-07   -0.24726E-08 40352   0.741E-04
  30 F= -.40582478E+02 E0= -.40582478E+02  d E =-.205633E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        1/  4
  Total:              29/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405826602396E+02   -0.18246E-03   -0.40918E-01 50240   0.217E+00    0.390E-02
DAV:   2    -0.405828056222E+02   -0.14538E-03   -0.18363E-03 64288   0.183E-01    0.195E-02
DAV:   3    -0.405827974497E+02    0.81725E-05   -0.27788E-05 63168   0.235E-02    0.132E-02
DAV:   4    -0.405827982846E+02   -0.83485E-06   -0.34759E-06 62560   0.860E-03    0.437E-03
DAV:   5    -0.405827982789E+02    0.56239E-08   -0.27096E-07 59776   0.219E-03
  31 F= -.40582798E+02 E0= -.40582798E+02  d E =-.204672E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        2/  4
  Total:              30/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405828230414E+02   -0.24757E-04   -0.36188E-01 50176   0.213E+00    0.808E-02
DAV:   2    -0.405828334849E+02   -0.10444E-04   -0.15627E-03 64864   0.182E-01    0.380E-02
DAV:   3    -0.405827950936E+02    0.38391E-04   -0.80450E-05 60928   0.407E-02    0.262E-02
DAV:   4    -0.405827981851E+02   -0.30916E-05   -0.13331E-05 63424   0.147E-02    0.748E-03
DAV:   5    -0.405827982663E+02   -0.81158E-07   -0.62033E-07 59552   0.319E-03
  32 F= -.40582798E+02 E0= -.40582798E+02  d E =-.204846E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        3/  4
  Total:              31/ 32
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.405823421210E+02    0.45606E-03   -0.42405E-01 50304   0.221E+00    0.437E-02
DAV:   2    -0.405824857679E+02   -0.14365E-03   -0.17975E-03 65024   0.183E-01    0.202E-02
DAV:   3    -0.405824774267E+02    0.83412E-05   -0.23474E-05 60832   0.227E-02    0.151E-02
DAV:   4    -0.405824777331E+02   -0.30639E-06   -0.37676E-06 64160   0.883E-03    0.414E-03
DAV:   5    -0.405824777815E+02   -0.48384E-07   -0.26986E-07 57728   0.204E-03
  33 F= -.40582478E+02 E0= -.40582478E+02  d E =-.205585E-22  mag=     8.0000
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        4/  4
  Total:              32/ 32
 PROFILE, used timers:     376
