 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 NaCl
 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 = 42. 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     0.447152212895E+03    0.44715E+03   -0.31822E+04  4480   0.111E+03
DAV:   2     0.885938431706E+01   -0.43829E+03   -0.40109E+03  5024   0.295E+02
DAV:   3    -0.274032568924E+02   -0.36263E+02   -0.36041E+02  6400   0.713E+01
DAV:   4    -0.279192070021E+02   -0.51595E+00   -0.51586E+00  5056   0.921E+00
DAV:   5    -0.279289431330E+02   -0.97361E-02   -0.97356E-02  6272   0.132E+00    0.428E+00
DAV:   6    -0.271345604490E+02    0.79438E+00   -0.11206E+00  5728   0.288E+00    0.315E+00
DAV:   7    -0.270875915445E+02    0.46969E-01   -0.28054E-01  6240   0.141E+00    0.222E+00
DAV:   8    -0.271126119905E+02   -0.25020E-01   -0.44742E-02  5216   0.805E-01    0.732E-01
DAV:   9    -0.271115953113E+02    0.10167E-02   -0.14267E-03  6112   0.122E-01    0.303E-01
DAV:  10    -0.271121703473E+02   -0.57504E-03   -0.11421E-03  5440   0.116E-01    0.976E-02
DAV:  11    -0.271121560080E+02    0.14339E-04   -0.35863E-05  6336   0.285E-02    0.271E-02
DAV:  12    -0.271121561514E+02   -0.14341E-06   -0.74191E-06  5280   0.119E-02    0.635E-03
DAV:  13    -0.271121587369E+02   -0.25855E-05   -0.19621E-06  6048   0.403E-03    0.594E-03
DAV:  14    -0.271121581790E+02    0.55793E-06   -0.86789E-08  5472   0.873E-04    0.240E-04
DAV:  15    -0.271121581332E+02    0.45755E-07   -0.45876E-09  4832   0.207E-04
   1 F= -.27112158E+02 E0= -.27112158E+02  d E =-.119225E-13
 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    -0.271569047803E+02   -0.44747E-01   -0.14489E+00 11968   0.577E+00    0.138E+00
DAV:   2    -0.271216120772E+02    0.35293E-01   -0.70525E-02 12384   0.115E+00    0.691E-01
DAV:   3    -0.271104618737E+02    0.11150E-01   -0.20223E-02 13632   0.577E-01    0.277E-01
DAV:   4    -0.271096380138E+02    0.82386E-03   -0.12311E-03 12096   0.143E-01    0.100E-01
DAV:   5    -0.271094761385E+02    0.16188E-03   -0.12117E-04 13184   0.539E-02    0.203E-02
DAV:   6    -0.271094777393E+02   -0.16009E-05   -0.13853E-05 11936   0.178E-02    0.109E-02
DAV:   7    -0.271094773289E+02    0.41044E-06   -0.22540E-06 13472   0.737E-03    0.147E-03
DAV:   8    -0.271094774361E+02   -0.10720E-06   -0.17102E-07 12128   0.192E-03    0.146E-03
DAV:   9    -0.271094776135E+02   -0.17738E-06   -0.31817E-08 12320   0.820E-04    0.361E-04
DAV:  10    -0.271094776028E+02    0.10705E-07   -0.35947E-09  7232   0.289E-04
   2 F= -.27109478E+02 E0= -.27109478E+02  d E =-.636506E-22
 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    -0.271219614589E+02   -0.12484E-01   -0.82142E-01 12160   0.381E+00    0.700E-01
DAV:   2    -0.271142724501E+02    0.76890E-02   -0.30894E-02 12160   0.694E-01    0.343E-01
DAV:   3    -0.271116503853E+02    0.26221E-02   -0.52686E-03 13568   0.299E-01    0.143E-01
DAV:   4    -0.271114841084E+02    0.16628E-03   -0.31756E-04 11808   0.716E-02    0.527E-02
DAV:   5    -0.271114547009E+02    0.29407E-04   -0.26948E-05 13120   0.252E-02    0.949E-03
DAV:   6    -0.271114559023E+02   -0.12013E-05   -0.36210E-06 12416   0.842E-03    0.417E-03
DAV:   7    -0.271114565152E+02   -0.61295E-06   -0.37504E-07 13056   0.295E-03    0.695E-04
DAV:   8    -0.271114564809E+02    0.34281E-07   -0.28130E-08  8192   0.106E-03
   3 F= -.27111456E+02 E0= -.27111456E+02  d E =-.527285E-11
 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    -0.271602075753E+02   -0.48751E-01   -0.11329E+00 12544   0.530E+00    0.141E+00
DAV:   2    -0.271232135874E+02    0.36994E-01   -0.60609E-02 11936   0.106E+00    0.692E-01
DAV:   3    -0.271123868179E+02    0.10827E-01   -0.18695E-02 13792   0.563E-01    0.288E-01
DAV:   4    -0.271115700996E+02    0.81672E-03   -0.13727E-03 12192   0.153E-01    0.689E-02
DAV:   5    -0.271114873479E+02    0.82752E-04   -0.14992E-04 12960   0.504E-02    0.209E-02
DAV:   6    -0.271114900657E+02   -0.27178E-05   -0.11250E-05 12448   0.159E-02    0.110E-02
DAV:   7    -0.271114919665E+02   -0.19007E-05   -0.20496E-06 13312   0.638E-03    0.146E-03
DAV:   8    -0.271114919650E+02    0.14925E-08   -0.16842E-07 12832   0.220E-03
   4 F= -.27111492E+02 E0= -.27111492E+02  d E =-.177358E-16
 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    -0.271197627824E+02   -0.82708E-02   -0.92273E-01 12256   0.393E+00    0.696E-01
DAV:   2    -0.271124544104E+02    0.73084E-02   -0.31970E-02 12416   0.705E-01    0.355E-01
DAV:   3    -0.271095684178E+02    0.28860E-02   -0.53124E-03 13408   0.300E-01    0.144E-01
DAV:   4    -0.271094006513E+02    0.16777E-03   -0.29473E-04 11744   0.701E-02    0.636E-02
DAV:   5    -0.271093598088E+02    0.40843E-04   -0.35470E-05 13504   0.309E-02    0.947E-03
DAV:   6    -0.271093602354E+02   -0.42667E-06   -0.50310E-06 11584   0.980E-03    0.620E-03
DAV:   7    -0.271093609382E+02   -0.70276E-06   -0.53896E-07 13600   0.384E-03    0.973E-04
DAV:   8    -0.271093611277E+02   -0.18957E-06   -0.85483E-08 12000   0.105E-03    0.787E-04
DAV:   9    -0.271093610378E+02    0.89913E-07   -0.95168E-09  7712   0.482E-04
   5 F= -.27109361E+02 E0= -.27109361E+02  d E =-.154353E-19
 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    -0.272578960135E+02   -0.14853E+00   -0.38870E+00 12672   0.105E+01    0.245E+00
DAV:   2    -0.271401959090E+02    0.11770E+00   -0.21648E-01 11840   0.202E+00    0.110E+00
DAV:   3    -0.271130158538E+02    0.27180E-01   -0.55347E-02 13760   0.986E-01    0.506E-01
DAV:   4    -0.271099985525E+02    0.30173E-02   -0.36714E-03 12288   0.229E-01    0.113E-01
DAV:   5    -0.271095432029E+02    0.45535E-03   -0.53208E-04 12768   0.892E-02    0.262E-02
DAV:   6    -0.271095032805E+02    0.39922E-04   -0.38944E-05 12576   0.318E-02    0.123E-02
DAV:   7    -0.271094810011E+02    0.22279E-04   -0.49895E-06 13120   0.940E-03    0.235E-03
DAV:   8    -0.271094778955E+02    0.31056E-05   -0.53525E-07 12608   0.443E-03    0.106E-03
DAV:   9    -0.271094775751E+02    0.32045E-06   -0.15210E-08  8320   0.542E-04    0.355E-04
DAV:  10    -0.271094775960E+02   -0.20969E-07   -0.62532E-09  6816   0.436E-04
   6 F= -.27109478E+02 E0= -.27109478E+02  d E =-.490328E-22
 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    -0.271221899152E+02   -0.12712E-01   -0.75081E-01 12192   0.370E+00    0.697E-01
DAV:   2    -0.271143039341E+02    0.78860E-02   -0.27975E-02 11840   0.670E-01    0.344E-01
DAV:   3    -0.271116497184E+02    0.26542E-02   -0.53153E-03 13536   0.299E-01    0.142E-01
DAV:   4    -0.271114854749E+02    0.16424E-03   -0.31858E-04 11584   0.718E-02    0.536E-02
DAV:   5    -0.271114546481E+02    0.30827E-04   -0.28088E-05 13344   0.260E-02    0.976E-03
DAV:   6    -0.271114558241E+02   -0.11760E-05   -0.37112E-06 11904   0.869E-03    0.447E-03
DAV:   7    -0.271114565157E+02   -0.69157E-06   -0.42220E-07 13376   0.318E-03    0.734E-04
DAV:   8    -0.271114564883E+02    0.27398E-07   -0.30364E-08  7520   0.107E-03
   7 F= -.27111456E+02 E0= -.27111456E+02  d E =-.499953E-11
 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    -0.271600156818E+02   -0.48559E-01   -0.11702E+00 12352   0.537E+00    0.141E+00
DAV:   2    -0.271232516412E+02    0.36764E-01   -0.61462E-02 11552   0.106E+00    0.693E-01
DAV:   3    -0.271123818592E+02    0.10870E-01   -0.18961E-02 13696   0.566E-01    0.287E-01
DAV:   4    -0.271115767777E+02    0.80508E-03   -0.13636E-03 12128   0.153E-01    0.733E-02
DAV:   5    -0.271114873286E+02    0.89449E-04   -0.14742E-04 13184   0.513E-02    0.210E-02
DAV:   6    -0.271114899982E+02   -0.26696E-05   -0.11828E-05 12384   0.162E-02    0.114E-02
DAV:   7    -0.271114919616E+02   -0.19634E-05   -0.21853E-06 13184   0.675E-03    0.147E-03
DAV:   8    -0.271114919791E+02   -0.17434E-07   -0.16420E-07 12736   0.211E-03
   8 F= -.27111492E+02 E0= -.27111492E+02  d E =-.200319E-16
 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    -0.271199736658E+02   -0.84817E-02   -0.84865E-01 12192   0.378E+00    0.697E-01
DAV:   2    -0.271124416844E+02    0.75320E-02   -0.30173E-02 12192   0.691E-01    0.354E-01
DAV:   3    -0.271095680410E+02    0.28736E-02   -0.52786E-03 13792   0.299E-01    0.144E-01
DAV:   4    -0.271093987328E+02    0.16931E-03   -0.29542E-04 11744   0.703E-02    0.618E-02
DAV:   5    -0.271093597586E+02    0.38974E-04   -0.34257E-05 13664   0.303E-02    0.952E-03
DAV:   6    -0.271093602292E+02   -0.47052E-06   -0.48219E-06 11616   0.961E-03    0.617E-03
DAV:   7    -0.271093609633E+02   -0.73417E-06   -0.55858E-07 13408   0.389E-03    0.829E-04
DAV:   8    -0.271093611270E+02   -0.16371E-06   -0.75225E-08 11392   0.994E-04    0.796E-04
DAV:   9    -0.271093610380E+02    0.89030E-07   -0.96629E-09  7520   0.489E-04
   9 F= -.27109361E+02 E0= -.27109361E+02  d E =-.386550E-19
 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    -0.272580165702E+02   -0.14866E+00   -0.36423E+00 12416   0.104E+01    0.246E+00
DAV:   2    -0.271391578177E+02    0.11886E+00   -0.20817E-01 11744   0.199E+00    0.109E+00
DAV:   3    -0.271124887470E+02    0.26669E-01   -0.55921E-02 13408   0.985E-01    0.508E-01
DAV:   4    -0.271097218570E+02    0.27669E-02   -0.37016E-03 11968   0.234E-01    0.104E-01
DAV:   5    -0.271094289965E+02    0.29286E-03   -0.60678E-04 12832   0.900E-02    0.261E-02
DAV:   6    -0.271094511557E+02   -0.22159E-04   -0.37494E-05 12512   0.301E-02    0.139E-02
DAV:   7    -0.271094728206E+02   -0.21665E-04   -0.56359E-06 13088   0.107E-02    0.235E-03
DAV:   8    -0.271094773022E+02   -0.44817E-05   -0.64708E-07 12544   0.471E-03    0.120E-03
DAV:   9    -0.271094776623E+02   -0.36012E-06   -0.21573E-08  8896   0.555E-04    0.314E-04
DAV:  10    -0.271094776412E+02    0.21112E-07   -0.49827E-09  6816   0.360E-04
  10 F= -.27109478E+02 E0= -.27109478E+02  d E =-.357615E-22
 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    -0.271221415998E+02   -0.12664E-01   -0.81533E-01 12320   0.381E+00    0.699E-01
DAV:   2    -0.271143001249E+02    0.78415E-02   -0.28336E-02 11968   0.678E-01    0.345E-01
DAV:   3    -0.271116522704E+02    0.26479E-02   -0.53658E-03 13408   0.300E-01    0.144E-01
DAV:   4    -0.271114888148E+02    0.16346E-03   -0.30159E-04 11840   0.694E-02    0.575E-02
DAV:   5    -0.271114547962E+02    0.34019E-04   -0.29147E-05 13216   0.269E-02    0.906E-03
DAV:   6    -0.271114557636E+02   -0.96737E-06   -0.40125E-06 11872   0.881E-03    0.470E-03
DAV:   7    -0.271114565001E+02   -0.73653E-06   -0.44032E-07 13120   0.339E-03    0.646E-04
DAV:   8    -0.271114564974E+02    0.26723E-08   -0.35096E-08  7840   0.111E-03
  11 F= -.27111456E+02 E0= -.27111456E+02  d E =-.471465E-11
 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    -0.271603017624E+02   -0.48845E-01   -0.11120E+00 12576   0.530E+00    0.141E+00
DAV:   2    -0.271232170670E+02    0.37085E-01   -0.59143E-02 11808   0.105E+00    0.693E-01
DAV:   3    -0.271123852126E+02    0.10832E-01   -0.18967E-02 13536   0.567E-01    0.289E-01
DAV:   4    -0.271115756100E+02    0.80960E-03   -0.14009E-03 12064   0.154E-01    0.704E-02
DAV:   5    -0.271114872498E+02    0.88360E-04   -0.15877E-04 12960   0.519E-02    0.214E-02
DAV:   6    -0.271114899857E+02   -0.27358E-05   -0.11726E-05 12224   0.163E-02    0.114E-02
DAV:   7    -0.271114919536E+02   -0.19679E-05   -0.21694E-06 13312   0.662E-03    0.147E-03
DAV:   8    -0.271114919702E+02   -0.16607E-07   -0.16212E-07 12544   0.212E-03
  12 F= -.27111492E+02 E0= -.27111492E+02  d E =-.228015E-16
 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    -0.271196361897E+02   -0.81442E-02   -0.93956E-01 12000   0.396E+00    0.697E-01
DAV:   2    -0.271124526584E+02    0.71835E-02   -0.33308E-02 12096   0.718E-01    0.355E-01
DAV:   3    -0.271095694338E+02    0.28832E-02   -0.53037E-03 13632   0.299E-01    0.143E-01
DAV:   4    -0.271094011519E+02    0.16828E-03   -0.28410E-04 11808   0.689E-02    0.644E-02
DAV:   5    -0.271093598588E+02    0.41293E-04   -0.35953E-05 13472   0.311E-02    0.933E-03
DAV:   6    -0.271093602446E+02   -0.38575E-06   -0.50734E-06 11744   0.975E-03    0.609E-03
DAV:   7    -0.271093609177E+02   -0.67313E-06   -0.50372E-07 13152   0.369E-03    0.103E-03
DAV:   8    -0.271093611218E+02   -0.20411E-06   -0.89351E-08 12064   0.107E-03    0.767E-04
DAV:   9    -0.271093610324E+02    0.89452E-07   -0.97405E-09  7136   0.487E-04
  13 F= -.27109361E+02 E0= -.27109361E+02  d E =-.835702E-19
 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    -0.271665457079E+02   -0.57185E-01   -0.18344E+00 34496   0.638E+00    0.154E+00
DAV:   2    -0.271264215038E+02    0.40124E-01   -0.81674E-02 34016   0.121E+00    0.804E-01
DAV:   3    -0.271124599515E+02    0.13962E-01   -0.25657E-02 36576   0.649E-01    0.302E-01
DAV:   4    -0.271116011615E+02    0.85879E-03   -0.17707E-03 32832   0.171E-01    0.113E-01
DAV:   5    -0.271114447341E+02    0.15643E-03   -0.13864E-04 36704   0.573E-02    0.259E-02
DAV:   6    -0.271114465482E+02   -0.18141E-05   -0.16497E-05 33376   0.195E-02    0.116E-02
DAV:   7    -0.271114466618E+02   -0.11364E-06   -0.29414E-06 35648   0.779E-03    0.224E-03
DAV:   8    -0.271114467629E+02   -0.10110E-06   -0.17715E-07 32672   0.229E-03    0.158E-03
DAV:   9    -0.271114469548E+02   -0.19189E-06   -0.48732E-08 33824   0.887E-04    0.398E-04
DAV:  10    -0.271114469450E+02    0.97934E-08   -0.35505E-09 19072   0.282E-04
  14 F= -.27111447E+02 E0= -.27111447E+02  d E =-.272961E-14
 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    -0.271127269013E+02   -0.12799E-02   -0.54533E-01 34624   0.286E+00    0.335E-01
DAV:   2    -0.271125879978E+02    0.13890E-03   -0.13088E-02 33120   0.400E-01    0.195E-01
DAV:   3    -0.271119723378E+02    0.61566E-03   -0.85718E-04 37728   0.118E-01    0.273E-02
DAV:   4    -0.271119795027E+02   -0.71649E-05   -0.65339E-05 32320   0.301E-02    0.155E-02
DAV:   5    -0.271119805351E+02   -0.10324E-05   -0.33908E-06 37216   0.703E-03    0.301E-03
DAV:   6    -0.271119803198E+02    0.21531E-06   -0.37061E-07 33056   0.200E-03    0.636E-04
DAV:   7    -0.271119803720E+02   -0.52179E-07   -0.74164E-08 35872   0.954E-04
  15 F= -.27111980E+02 E0= -.27111980E+02  d E =-.453852E-15
 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    -0.271191885132E+02   -0.72082E-02   -0.27191E-01 34528   0.183E+00    0.648E-01
DAV:   2    -0.271147036294E+02    0.44849E-02   -0.70808E-03 35392   0.295E-01    0.395E-01
DAV:   3    -0.271119662472E+02    0.27374E-02   -0.32366E-03 37632   0.204E-01    0.509E-02
DAV:   4    -0.271119811577E+02   -0.14911E-04   -0.27875E-04 30592   0.573E-02    0.426E-02
DAV:   5    -0.271119813112E+02   -0.15350E-06   -0.38930E-06 37760   0.103E-02    0.240E-02
DAV:   6    -0.271119800876E+02    0.12236E-05   -0.16986E-05 34208   0.123E-02    0.155E-02
DAV:   7    -0.271119803570E+02   -0.26945E-06   -0.21381E-06 33984   0.433E-03    0.332E-03
DAV:   8    -0.271119803636E+02   -0.65204E-08   -0.74901E-08 33824   0.836E-04
  16 F= -.27111980E+02 E0= -.27111980E+02  d E =-.322204E-15
 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    -0.271120239073E+02   -0.43550E-04   -0.59895E-01 34656   0.289E+00    0.316E-01
DAV:   2    -0.271121669755E+02   -0.14307E-03   -0.13039E-02 33728   0.385E-01    0.201E-01
DAV:   3    -0.271114458792E+02    0.72110E-03   -0.93926E-04 37440   0.128E-01    0.278E-02
DAV:   4    -0.271114482188E+02   -0.23396E-05   -0.96177E-05 31456   0.367E-02    0.214E-02
DAV:   5    -0.271114473590E+02    0.85981E-06   -0.16677E-06 37568   0.554E-03    0.139E-02
DAV:   6    -0.271114468540E+02    0.50504E-06   -0.42355E-06 32832   0.605E-03    0.280E-03
DAV:   7    -0.271114469358E+02   -0.81849E-07   -0.36039E-07 34976   0.180E-03
  17 F= -.27111447E+02 E0= -.27111447E+02  d E =-.824462E-15
 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    -0.271248425155E+02   -0.13396E-01   -0.10084E+00 35200   0.362E+00    0.892E-01
DAV:   2    -0.271174852275E+02    0.73573E-02   -0.24617E-02 34368   0.528E-01    0.552E-01
DAV:   3    -0.271114422296E+02    0.60430E-02   -0.62711E-03 37920   0.276E-01    0.588E-02
DAV:   4    -0.271114714791E+02   -0.29249E-04   -0.53038E-04 30592   0.774E-02    0.479E-02
DAV:   5    -0.271114552411E+02    0.16238E-04   -0.16074E-05 38272   0.142E-02    0.250E-02
DAV:   6    -0.271114478885E+02    0.73525E-05   -0.28270E-05 34336   0.159E-02    0.129E-02
DAV:   7    -0.271114471355E+02    0.75304E-06   -0.32572E-06 33856   0.529E-03    0.637E-04
DAV:   8    -0.271114470205E+02    0.11503E-06   -0.98357E-08 34848   0.916E-04    0.103E-03
DAV:   9    -0.271114469384E+02    0.82102E-07   -0.43385E-09 23136   0.242E-04
  18 F= -.27111447E+02 E0= -.27111447E+02  d E =-.320672E-14
 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    -0.271127854914E+02   -0.13385E-02   -0.52360E-01 35168   0.281E+00    0.334E-01
DAV:   2    -0.271125923259E+02    0.19317E-03   -0.12441E-02 32576   0.395E-01    0.195E-01
DAV:   3    -0.271119720323E+02    0.62029E-03   -0.84592E-04 38144   0.119E-01    0.264E-02
DAV:   4    -0.271119794648E+02   -0.74324E-05   -0.66421E-05 31584   0.305E-02    0.153E-02
DAV:   5    -0.271119803959E+02   -0.93108E-06   -0.29257E-06 37664   0.663E-03    0.196E-03
DAV:   6    -0.271119803119E+02    0.83965E-07   -0.26330E-07 32224   0.172E-03
  19 F= -.27111980E+02 E0= -.27111980E+02  d E =-.461331E-14
 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    -0.271191683902E+02   -0.71880E-02   -0.28247E-01 35072   0.191E+00    0.648E-01
DAV:   2    -0.271147049209E+02    0.44635E-02   -0.71837E-03 34848   0.302E-01    0.395E-01
DAV:   3    -0.271119669571E+02    0.27380E-02   -0.32280E-03 38592   0.204E-01    0.510E-02
DAV:   4    -0.271119813809E+02   -0.14424E-04   -0.27576E-04 30240   0.573E-02    0.427E-02
DAV:   5    -0.271119813495E+02    0.31379E-07   -0.37930E-06 38624   0.101E-02    0.244E-02
DAV:   6    -0.271119800954E+02    0.12541E-05   -0.17397E-05 33664   0.124E-02    0.156E-02
DAV:   7    -0.271119803560E+02   -0.26051E-06   -0.21646E-06 34336   0.430E-03    0.326E-03
DAV:   8    -0.271119803663E+02   -0.10326E-07   -0.74725E-08 33632   0.825E-04
  20 F= -.27111980E+02 E0= -.27111980E+02  d E =-.301068E-15
 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    -0.271120785588E+02   -0.98203E-04   -0.57754E-01 34976   0.284E+00    0.316E-01
DAV:   2    -0.271121646864E+02   -0.86128E-04   -0.12539E-02 33184   0.380E-01    0.201E-01
DAV:   3    -0.271114466370E+02    0.71805E-03   -0.94521E-04 37120   0.128E-01    0.283E-02
DAV:   4    -0.271114482949E+02   -0.16579E-05   -0.93748E-05 32640   0.364E-02    0.215E-02
DAV:   5    -0.271114473978E+02    0.89711E-06   -0.16599E-06 37184   0.554E-03    0.140E-02
DAV:   6    -0.271114468663E+02    0.53151E-06   -0.43068E-06 33440   0.609E-03    0.289E-03
DAV:   7    -0.271114469468E+02   -0.80494E-07   -0.36824E-07 35584   0.181E-03
  21 F= -.27111447E+02 E0= -.27111447E+02  d E =-.693679E-15
 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    -0.271256845327E+02   -0.14238E-01   -0.10207E+00 34976   0.363E+00    0.892E-01
DAV:   2    -0.271180342751E+02    0.76503E-02   -0.24209E-02 34304   0.526E-01    0.552E-01
DAV:   3    -0.271115120567E+02    0.65222E-02   -0.61824E-03 37856   0.277E-01    0.586E-02
DAV:   4    -0.271115345375E+02   -0.22481E-04   -0.54146E-04 30720   0.788E-02    0.479E-02
DAV:   5    -0.271114939569E+02    0.40581E-04   -0.15213E-05 38304   0.140E-02    0.256E-02
DAV:   6    -0.271114533823E+02    0.40575E-04   -0.28882E-05 34464   0.161E-02    0.135E-02
DAV:   7    -0.271114481421E+02    0.52402E-05   -0.33565E-06 33632   0.541E-03    0.132E-03
DAV:   8    -0.271114473553E+02    0.78683E-06   -0.92930E-08 34880   0.927E-04    0.143E-03
DAV:   9    -0.271114470494E+02    0.30594E-06   -0.40261E-09 22720   0.259E-04    0.101E-04
DAV:  10    -0.271114469402E+02    0.10915E-06   -0.51788E-10 20640   0.102E-04    0.870E-05
DAV:  11    -0.271114469299E+02    0.10315E-07   -0.47910E-11 19776   0.380E-05
  22 F= -.27111447E+02 E0= -.27111447E+02  d E =-.373625E-14
 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    -0.271128038019E+02   -0.13569E-02   -0.53041E-01 37056   0.281E+00    0.334E-01
DAV:   2    -0.271125917561E+02    0.21205E-03   -0.12258E-02 31008   0.389E-01    0.195E-01
DAV:   3    -0.271119721448E+02    0.61961E-03   -0.85090E-04 39712   0.119E-01    0.265E-02
DAV:   4    -0.271119794899E+02   -0.73451E-05   -0.65444E-05 31296   0.299E-02    0.153E-02
DAV:   5    -0.271119804698E+02   -0.97987E-06   -0.31775E-06 38208   0.681E-03    0.257E-03
DAV:   6    -0.271119803119E+02    0.15793E-06   -0.32217E-07 32192   0.186E-03    0.650E-04
DAV:   7    -0.271119803688E+02   -0.56908E-07   -0.68891E-08 37152   0.929E-04
  23 F= -.27111980E+02 E0= -.27111980E+02  d E =-.471912E-14
 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    -0.271191884741E+02   -0.72082E-02   -0.28450E-01 35936   0.191E+00    0.648E-01
DAV:   2    -0.271147051812E+02    0.44833E-02   -0.70480E-03 34336   0.298E-01    0.395E-01
DAV:   3    -0.271119661400E+02    0.27390E-02   -0.32120E-03 38368   0.204E-01    0.507E-02
DAV:   4    -0.271119811216E+02   -0.14982E-04   -0.27716E-04 30688   0.573E-02    0.424E-02
DAV:   5    -0.271119811366E+02   -0.15060E-07   -0.38948E-06 38240   0.102E-02    0.239E-02
DAV:   6    -0.271119800892E+02    0.10474E-05   -0.16625E-05 34656   0.121E-02    0.152E-02
DAV:   7    -0.271119803544E+02   -0.26516E-06   -0.20993E-06 34144   0.424E-03    0.333E-03
DAV:   8    -0.271119803659E+02   -0.11499E-07   -0.70050E-08 34112   0.800E-04
  24 F= -.27111980E+02 E0= -.27111980E+02  d E =-.272113E-15
 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    -0.271120880897E+02   -0.10774E-03   -0.57911E-01 35136   0.284E+00    0.316E-01
DAV:   2    -0.271121646077E+02   -0.76518E-04   -0.12446E-02 33248   0.379E-01    0.201E-01
DAV:   3    -0.271114460253E+02    0.71858E-03   -0.93666E-04 37440   0.128E-01    0.279E-02
DAV:   4    -0.271114481917E+02   -0.21664E-05   -0.94040E-05 32064   0.364E-02    0.214E-02
DAV:   5    -0.271114473337E+02    0.85798E-06   -0.16518E-06 37728   0.554E-03    0.138E-02
DAV:   6    -0.271114468662E+02    0.46753E-06   -0.41685E-06 33824   0.600E-03    0.284E-03
DAV:   7    -0.271114469484E+02   -0.82233E-07   -0.35983E-07 34976   0.180E-03
  25 F= -.27111447E+02 E0= -.27111447E+02  d E =-.227652E-15
 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    -0.271189551880E+02   -0.75083E-02   -0.86536E-01 13632   0.324E+00    0.621E-01
DAV:   2    -0.271158446566E+02    0.31105E-02   -0.19550E-02 11584   0.489E-01    0.383E-01
DAV:   3    -0.271121408586E+02    0.37038E-02   -0.29042E-03 14048   0.212E-01    0.160E-02
DAV:   4    -0.271121305818E+02    0.10277E-04   -0.28152E-04 11200   0.599E-02    0.107E-02
DAV:   5    -0.271120928219E+02    0.37760E-04   -0.11062E-05 14176   0.118E-02    0.165E-03
DAV:   6    -0.271120864370E+02    0.63849E-05   -0.10424E-06 11232   0.346E-03    0.130E-03
DAV:   7    -0.271120840209E+02    0.24161E-05   -0.70144E-08 12544   0.917E-04    0.395E-04
DAV:   8    -0.271120835029E+02    0.51808E-06   -0.10494E-08  8224   0.378E-04    0.158E-04
DAV:   9    -0.271120830714E+02    0.43149E-06   -0.16532E-09  9472   0.193E-04    0.770E-05
DAV:  10    -0.271120830375E+02    0.33883E-07   -0.24437E-10  7488   0.114E-04
  26 F= -.27112083E+02 E0= -.27112083E+02  d E =-.138618E-13
 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    -0.271118321878E+02    0.25088E-03   -0.29793E-01 10496   0.129E+00    0.917E-03
DAV:   2    -0.271121346552E+02   -0.30247E-03   -0.30346E-03 13056   0.144E-01    0.374E-03
DAV:   3    -0.271121392254E+02   -0.45702E-05   -0.48985E-05 12512   0.208E-02    0.117E-03
DAV:   4    -0.271121393723E+02   -0.14690E-06   -0.14240E-06 12224   0.378E-03    0.129E-03
DAV:   5    -0.271121393824E+02   -0.10043E-07   -0.55229E-08 11712   0.814E-04
  27 F= -.27112139E+02 E0= -.27112139E+02  d E =-.139369E-13
 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    -0.271118840994E+02    0.25527E-03   -0.27107E-01 10368   0.129E+00    0.193E-02
DAV:   2    -0.271121353505E+02   -0.25125E-03   -0.25764E-03 12832   0.142E-01    0.762E-03
DAV:   3    -0.271121390666E+02   -0.37161E-05   -0.42863E-05 13376   0.220E-02    0.247E-03
DAV:   4    -0.271121393214E+02   -0.25477E-06   -0.15284E-06 11744   0.452E-03    0.249E-03
DAV:   5    -0.271121393560E+02   -0.34621E-07   -0.41411E-08 11648   0.826E-04
  28 F= -.27112139E+02 E0= -.27112139E+02  d E =-.140276E-13
 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    -0.271117321194E+02    0.40720E-03   -0.29816E-01 10144   0.128E+00    0.116E-02
DAV:   2    -0.271120770250E+02   -0.34491E-03   -0.34708E-03 13248   0.145E-01    0.411E-03
DAV:   3    -0.271120827863E+02   -0.57613E-05   -0.58290E-05 12320   0.208E-02    0.257E-03
DAV:   4    -0.271120829968E+02   -0.21043E-06   -0.15600E-06 12768   0.388E-03    0.144E-03
DAV:   5    -0.271120830215E+02   -0.24723E-07   -0.60925E-08 10912   0.866E-04
  29 F= -.27112083E+02 E0= -.27112083E+02  d E =-.140700E-13
 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    -0.271113788036E+02    0.70419E-03   -0.49846E-01  9600   0.208E+00    0.395E-02
DAV:   2    -0.271120471430E+02   -0.66834E-03   -0.67906E-03 14176   0.303E-01    0.203E-02
DAV:   3    -0.271120513258E+02   -0.41828E-05   -0.98398E-05 10880   0.393E-02    0.134E-02
DAV:   4    -0.271120503163E+02    0.10095E-05   -0.99298E-06 14208   0.123E-02    0.466E-03
DAV:   5    -0.271120504576E+02   -0.14130E-06   -0.14664E-06  9856   0.411E-03    0.340E-03
DAV:   6    -0.271120504166E+02    0.41023E-07   -0.42255E-07 14240   0.211E-03
  30 F= -.27112050E+02 E0= -.27112050E+02  d E =-.151507E-13
 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    -0.271120143067E+02    0.36151E-04   -0.10159E-01  9600   0.627E-01    0.136E-02
DAV:   2    -0.271121308870E+02   -0.11658E-03   -0.12651E-03 14144   0.104E-01    0.743E-03
DAV:   3    -0.271121312863E+02   -0.39932E-06   -0.25576E-05 11648   0.148E-02    0.370E-03
DAV:   4    -0.271121311916E+02    0.94709E-07   -0.10139E-06 13696   0.332E-03    0.688E-04
DAV:   5    -0.271121311988E+02   -0.71195E-08   -0.34069E-08  8160   0.673E-04
  31 F= -.27112131E+02 E0= -.27112131E+02  d E =-.150057E-13
 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    -0.271120675042E+02    0.63687E-04   -0.95246E-02  9600   0.641E-01    0.346E-02
DAV:   2    -0.271121392898E+02   -0.71786E-04   -0.10498E-03 14240   0.102E-01    0.142E-02
DAV:   3    -0.271121313478E+02    0.79421E-05   -0.22851E-05 11456   0.178E-02    0.788E-03
DAV:   4    -0.271121311556E+02    0.19221E-06   -0.31973E-06 13664   0.567E-03    0.297E-03
DAV:   5    -0.271121311780E+02   -0.22392E-07   -0.25206E-07 10720   0.182E-03
  32 F= -.27112131E+02 E0= -.27112131E+02  d E =-.132302E-13
 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    -0.271119466657E+02    0.18449E-03   -0.10192E-01  9664   0.634E-01    0.226E-02
DAV:   2    -0.271120515962E+02   -0.10493E-03   -0.11214E-03 14272   0.984E-02    0.833E-03
DAV:   3    -0.271120507479E+02    0.84831E-06   -0.16589E-05 10976   0.134E-02    0.514E-03
DAV:   4    -0.271120504348E+02    0.31312E-06   -0.18824E-06 14112   0.456E-03    0.212E-03
DAV:   5    -0.271120504509E+02   -0.16121E-07   -0.25201E-07  9952   0.169E-03
  33 F= -.27112050E+02 E0= -.27112050E+02  d E =-.152641E-13
 Finite differences progress:
  Degree of freedom:   8/  8
  Displacement:        4/  4
  Total:              32/ 32
 PROFILE, used timers:     374
