 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Mar 30 2021 17:29:28) complex           
 POSCAR found type information on POSCAR  H  N 
 02/POSCAR found :  2 types and       4 ions
 scaLAPACK will be used
 LDA part: xc-table for Pade appr. of Perdew
 POSCAR found type information on POSCAR  H  N 
 00/POSCAR found :  2 types and       4 ions
 POSCAR found type information on POSCAR  H  N 
 04/POSCAR found :  2 types and       4 ions
 Jacobian:    8.7590382797757780     
 found WAVECAR, reading the header
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...
 reading WAVECAR
 the WAVECAR file was read successfully
 initial charge from wavefunction
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.193545533266E+02   -0.19355E+02   -0.90150E+00    16   0.227E+01    0.336E+00
DAV:   2    -0.189971115903E+02    0.35744E+00   -0.14104E+00    16   0.742E+00    0.928E-01
DAV:   3    -0.189871379365E+02    0.99737E-02   -0.76191E-02    16   0.192E+00    0.648E-01
DAV:   4    -0.189862580681E+02    0.87987E-03   -0.11664E-02    16   0.902E-01    0.187E-01
DAV:   5    -0.189855865402E+02    0.67153E-03   -0.43186E-03    24   0.424E-01    0.451E-02
DAV:   6    -0.189860789200E+02   -0.49238E-03   -0.84110E-05    16   0.809E-02    0.271E-02
DAV:   7    -0.189862188025E+02   -0.13988E-03   -0.16940E-04    16   0.801E-02    0.154E-02
DAV:   8    -0.189863512008E+02   -0.13240E-03   -0.25310E-05    16   0.341E-02    0.184E-03
DAV:   9    -0.189863731245E+02   -0.21924E-04   -0.16848E-06    16   0.815E-03    0.102E-03
DAV:  10    -0.189863856254E+02   -0.12501E-04   -0.11773E-06    16   0.482E-03    0.627E-04
DAV:  11    -0.189863870764E+02   -0.14510E-05   -0.11158E-07    24   0.174E-03    0.318E-04
DAV:  12    -0.189863875843E+02   -0.50790E-06   -0.42793E-08    16   0.115E-03
   1 F= -.18986388E+02 E0= -.18990253E+02  d E =-.189864E+02
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.190065146541E+02   -0.20128E-01   -0.63674E-03    16   0.674E-01    0.608E-02
DAV:   2    -0.190064299984E+02    0.84656E-04   -0.35133E-04    16   0.124E-01    0.227E-02
DAV:   3    -0.190064275900E+02    0.24084E-05   -0.22001E-05    24   0.359E-02    0.144E-02
DAV:   4    -0.190064280469E+02   -0.45693E-06   -0.67986E-06    16   0.175E-02
   2 F= -.19006428E+02 E0= -.19010293E+02  d E =-.200405E-01
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192122690009E+02   -0.20584E+00   -0.10582E+00    16   0.868E+00    0.772E-01
DAV:   2    -0.191988398694E+02    0.13429E-01   -0.59964E-02    24   0.160E+00    0.296E-01
DAV:   3    -0.191984678452E+02    0.37202E-03   -0.19183E-03    24   0.312E-01    0.173E-01
DAV:   4    -0.191984952238E+02   -0.27379E-04   -0.53767E-04    16   0.165E-01    0.344E-02
DAV:   5    -0.191984926573E+02    0.25666E-05   -0.10933E-04    32   0.688E-02    0.502E-03
DAV:   6    -0.191985206809E+02   -0.28024E-04   -0.31274E-06    16   0.986E-03    0.213E-03
DAV:   7    -0.191985441867E+02   -0.23506E-04   -0.20581E-06    16   0.836E-03    0.131E-03
DAV:   8    -0.191985606684E+02   -0.16482E-04   -0.19845E-06    16   0.705E-03    0.389E-04
DAV:   9    -0.191985632412E+02   -0.25728E-05   -0.14457E-07    32   0.197E-03    0.371E-04
DAV:  10    -0.191985640274E+02   -0.78627E-06   -0.66478E-08    16   0.152E-03
   3 F= -.19198564E+02 E0= -.19202429E+02  d E =-.192136E+00
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192889215529E+02   -0.90358E-01   -0.11944E+00    16   0.922E+00    0.778E-01
DAV:   2    -0.192753039416E+02    0.13618E-01   -0.61567E-02    24   0.161E+00    0.297E-01
DAV:   3    -0.192749159640E+02    0.38798E-03   -0.20845E-03    16   0.329E-01    0.172E-01
DAV:   4    -0.192749422976E+02   -0.26334E-04   -0.60383E-04    24   0.170E-01    0.343E-02
DAV:   5    -0.192749381527E+02    0.41449E-05   -0.15273E-04    16   0.770E-02    0.592E-03
DAV:   6    -0.192749684953E+02   -0.30343E-04   -0.67361E-06    16   0.176E-02    0.283E-03
DAV:   7    -0.192749936395E+02   -0.25144E-04   -0.24802E-06    16   0.947E-03    0.142E-03
DAV:   8    -0.192750108901E+02   -0.17251E-04   -0.19067E-06    16   0.713E-03    0.434E-04
DAV:   9    -0.192750139752E+02   -0.30850E-05   -0.17084E-07    24   0.207E-03    0.511E-04
DAV:  10    -0.192750154668E+02   -0.14916E-05   -0.12962E-07    16   0.201E-03    0.185E-04
DAV:  11    -0.192750155461E+02   -0.79331E-07   -0.33997E-09    16   0.405E-04
   4 F= -.19275016E+02 E0= -.19278881E+02  d E =-.764515E-01
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192761455926E+02   -0.11301E-02   -0.38992E-02    16   0.167E+00    0.134E-01
DAV:   2    -0.192757367571E+02    0.40884E-03   -0.17217E-03    16   0.273E-01    0.518E-02
DAV:   3    -0.192757251503E+02    0.11607E-04   -0.14280E-04    24   0.885E-02    0.312E-02
DAV:   4    -0.192757274680E+02   -0.23177E-05   -0.62555E-05    24   0.498E-02    0.114E-02
DAV:   5    -0.192757250398E+02    0.24282E-05   -0.21145E-05    16   0.281E-02    0.110E-03
DAV:   6    -0.192757265031E+02   -0.14633E-05   -0.32566E-07    16   0.474E-03    0.824E-04
DAV:   7    -0.192757280414E+02   -0.15384E-05   -0.13908E-07    16   0.239E-03    0.405E-04
DAV:   8    -0.192757292670E+02   -0.12256E-05   -0.64888E-08    16   0.141E-03    0.950E-05
DAV:   9    -0.192757295902E+02   -0.32319E-06   -0.14468E-08    16   0.677E-04
   5 F= -.19275730E+02 E0= -.19279595E+02  d E =-.714044E-03
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192726995922E+02    0.30297E-02   -0.45202E-02    16   0.180E+00    0.143E-01
DAV:   2    -0.192722359583E+02    0.46363E-03   -0.19549E-03    16   0.290E-01    0.556E-02
DAV:   3    -0.192722231004E+02    0.12858E-04   -0.16409E-04    24   0.941E-02    0.330E-02
DAV:   4    -0.192722262175E+02   -0.31171E-05   -0.77263E-05    24   0.551E-02    0.129E-02
DAV:   5    -0.192722230083E+02    0.32092E-05   -0.26596E-05    16   0.313E-02    0.121E-03
DAV:   6    -0.192722246916E+02   -0.16834E-05   -0.36301E-07    16   0.516E-03    0.898E-04
DAV:   7    -0.192722264497E+02   -0.17581E-05   -0.16119E-07    16   0.258E-03    0.467E-04
DAV:   8    -0.192722278366E+02   -0.13869E-05   -0.74687E-08    16   0.151E-03    0.107E-04
DAV:   9    -0.192722282266E+02   -0.39001E-06   -0.18995E-08    16   0.783E-04
   6 F= -.19272228E+02 E0= -.19276093E+02  d E =0.350136E-02
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192675325143E+02    0.46953E-02   -0.25116E-02    16   0.141E+00    0.959E-02
DAV:   2    -0.192673258194E+02    0.20669E-03   -0.89815E-04    16   0.216E-01    0.387E-02
DAV:   3    -0.192673183737E+02    0.74457E-05   -0.99600E-05    24   0.730E-02    0.236E-02
DAV:   4    -0.192673190107E+02   -0.63703E-06   -0.36243E-05    16   0.380E-02    0.864E-03
DAV:   5    -0.192673180527E+02    0.95801E-06   -0.11821E-05    32   0.217E-02    0.125E-03
DAV:   6    -0.192673187125E+02   -0.65977E-06   -0.23267E-07    16   0.334E-03
   7 F= -.19267319E+02 E0= -.19271184E+02  d E =0.490951E-02
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192458966931E+02    0.21421E-01   -0.14534E+00    16   0.117E+01    0.311E-01
DAV:   2    -0.192451753908E+02    0.72130E-03   -0.13374E-02    16   0.104E+00    0.185E-01
DAV:   3    -0.192445362253E+02    0.63917E-03   -0.29127E-03    24   0.542E-01    0.400E-02
DAV:   4    -0.192445889141E+02   -0.52689E-04   -0.35846E-04    16   0.161E-01    0.212E-02
DAV:   5    -0.192445998235E+02   -0.10909E-04   -0.28891E-06    24   0.167E-02    0.125E-02
DAV:   6    -0.192446124648E+02   -0.12641E-04   -0.26054E-06    16   0.147E-02    0.119E-03
DAV:   7    -0.192446165637E+02   -0.40989E-05   -0.56183E-07    16   0.558E-03    0.102E-03
DAV:   8    -0.192446215862E+02   -0.50224E-05   -0.51976E-07    16   0.363E-03    0.299E-04
DAV:   9    -0.192446230927E+02   -0.15066E-05   -0.14406E-07    16   0.182E-03    0.223E-04
DAV:  10    -0.192446235960E+02   -0.50324E-06   -0.32355E-08    16   0.894E-04
   8 F= -.19244624E+02 E0= -.19248489E+02  d E =0.226951E-01
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192499701299E+02   -0.53470E-02   -0.61143E+00    16   0.242E+01    0.627E-01
DAV:   2    -0.192472801451E+02    0.26900E-02   -0.61718E-02    16   0.220E+00    0.387E-01
DAV:   3    -0.192445381971E+02    0.27419E-02   -0.14680E-02    24   0.115E+00    0.105E-01
DAV:   4    -0.192446679016E+02   -0.12970E-03   -0.20987E-03    24   0.390E-01    0.597E-02
DAV:   5    -0.192447257472E+02   -0.57846E-04   -0.49596E-05    16   0.671E-02    0.272E-02
DAV:   6    -0.192447887799E+02   -0.63033E-04   -0.17129E-05    16   0.370E-02    0.556E-03
DAV:   7    -0.192448104382E+02   -0.21658E-04   -0.31557E-06    16   0.140E-02    0.190E-03
DAV:   8    -0.192448413126E+02   -0.30874E-04   -0.70982E-06    16   0.141E-02    0.361E-03
DAV:   9    -0.192448418278E+02   -0.51527E-06   -0.98809E-08    24   0.238E-03
   9 F= -.19244842E+02 E0= -.19248707E+02  d E =-.218232E-03
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192767383317E+02   -0.31897E-01   -0.17554E+00    16   0.128E+01    0.331E-01
DAV:   2    -0.192765141744E+02    0.22416E-03   -0.21473E-02    16   0.119E+00    0.209E-01
DAV:   3    -0.192756543086E+02    0.85987E-03   -0.35403E-03    16   0.604E-01    0.438E-02
DAV:   4    -0.192757263431E+02   -0.72034E-04   -0.53921E-04    16   0.190E-01    0.217E-02
DAV:   5    -0.192757471973E+02   -0.20854E-04   -0.76331E-06    16   0.309E-02    0.976E-03
DAV:   6    -0.192757553456E+02   -0.81483E-05   -0.64348E-06    16   0.249E-02    0.199E-03
DAV:   7    -0.192757596207E+02   -0.42751E-05   -0.13653E-06    16   0.934E-03    0.102E-03
DAV:   8    -0.192757640290E+02   -0.44083E-05   -0.65684E-07    16   0.576E-03    0.574E-04
DAV:   9    -0.192757654922E+02   -0.14632E-05   -0.12822E-07    16   0.234E-03    0.343E-04
DAV:  10    -0.192757661554E+02   -0.66326E-06   -0.59381E-08    16   0.149E-03
  10 F= -.19275766E+02 E0= -.19279631E+02  d E =-.309243E-01
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192395845016E+02    0.36181E-01   -0.15754E+00    16   0.119E+01    0.520E-01
DAV:   2    -0.192348527219E+02    0.47318E-02   -0.28332E-02    24   0.141E+00    0.258E-01
DAV:   3    -0.192340434081E+02    0.80931E-03   -0.53348E-03    16   0.577E-01    0.105E-01
DAV:   4    -0.192340347209E+02    0.86872E-05   -0.84540E-04    16   0.221E-01    0.497E-02
DAV:   5    -0.192340536901E+02   -0.18969E-04   -0.22048E-04    16   0.116E-01    0.135E-02
DAV:   6    -0.192340636954E+02   -0.10005E-04   -0.23638E-05    16   0.461E-02    0.688E-03
DAV:   7    -0.192340709737E+02   -0.72783E-05   -0.14403E-06    16   0.108E-02    0.250E-03
DAV:   8    -0.192340818554E+02   -0.10882E-04   -0.22649E-06    16   0.922E-03    0.187E-03
DAV:   9    -0.192340870951E+02   -0.52397E-05   -0.41471E-07    24   0.396E-03    0.148E-03
DAV:  10    -0.192340897079E+02   -0.26128E-05   -0.18814E-07    16   0.254E-03    0.150E-04
DAV:  11    -0.192340902783E+02   -0.57039E-06   -0.36351E-08    24   0.107E-03
  11 F= -.19234090E+02 E0= -.19237956E+02  d E =0.416759E-01
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192784611347E+02   -0.44371E-01   -0.98773E-01    16   0.947E+00    0.420E-01
DAV:   2    -0.192750867351E+02    0.33744E-02   -0.18894E-02    24   0.113E+00    0.208E-01
DAV:   3    -0.192746151160E+02    0.47162E-03   -0.25735E-03    16   0.410E-01    0.887E-02
DAV:   4    -0.192746186925E+02   -0.35765E-05   -0.41325E-04    16   0.163E-01    0.353E-02
DAV:   5    -0.192746282208E+02   -0.95283E-05   -0.11280E-04    32   0.791E-02    0.115E-02
DAV:   6    -0.192746345563E+02   -0.63356E-05   -0.95195E-06    16   0.282E-02    0.487E-03
DAV:   7    -0.192746391635E+02   -0.46072E-05   -0.15306E-06    24   0.874E-03    0.229E-03
DAV:   8    -0.192746431292E+02   -0.39657E-05   -0.42711E-07    16   0.406E-03    0.659E-04
DAV:   9    -0.192746484989E+02   -0.53697E-05   -0.45954E-07    16   0.338E-03    0.132E-03
DAV:  10    -0.192746507660E+02   -0.22670E-05   -0.15649E-07    24   0.193E-03    0.448E-04
DAV:  11    -0.192746510733E+02   -0.30735E-06   -0.49600E-08    16   0.150E-03
  12 F= -.19274651E+02 E0= -.19278516E+02  d E =-.405608E-01
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192757771769E+02   -0.11264E-02   -0.14023E-01    16   0.359E+00    0.123E-01
DAV:   2    -0.192755684621E+02    0.20871E-03   -0.20090E-03    16   0.370E-01    0.661E-02
DAV:   3    -0.192755080597E+02    0.60402E-04   -0.37379E-04    16   0.168E-01    0.256E-02
DAV:   4    -0.192755091556E+02   -0.10959E-05   -0.68299E-05    16   0.644E-02    0.126E-02
DAV:   5    -0.192755103073E+02   -0.11517E-05   -0.15709E-05    32   0.322E-02    0.403E-03
DAV:   6    -0.192755109684E+02   -0.66104E-06   -0.12648E-06    16   0.114E-02
  13 F= -.19275511E+02 E0= -.19279376E+02  d E =-.859895E-03
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192758672899E+02   -0.35698E-03   -0.21878E-02    16   0.143E+00    0.396E-02
DAV:   2    -0.192758553123E+02    0.11978E-04   -0.24217E-04    16   0.131E-01    0.236E-02
DAV:   3    -0.192758461559E+02    0.91564E-05   -0.50500E-05    16   0.698E-02    0.494E-03
DAV:   4    -0.192758468655E+02   -0.70956E-06   -0.72308E-06    24   0.227E-02
  14 F= -.19275847E+02 E0= -.19279712E+02  d E =-.335897E-03
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192759264536E+02   -0.80298E-04   -0.18538E-03    16   0.369E-01    0.289E-02
DAV:   2    -0.192759084684E+02    0.17985E-04   -0.73465E-05    16   0.585E-02    0.114E-02
DAV:   3    -0.192759080864E+02    0.38195E-06   -0.83364E-06    24   0.203E-02
  15 F= -.19275908E+02 E0= -.19279773E+02  d E =-.612209E-04
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192758498714E+02    0.58597E-04   -0.15622E-03    16   0.360E-01    0.247E-02
DAV:   2    -0.192758367624E+02    0.13109E-04   -0.54938E-05    16   0.541E-02    0.101E-02
DAV:   3    -0.192758364102E+02    0.35213E-06   -0.74835E-06    16   0.191E-02
  16 F= -.19275836E+02 E0= -.19279702E+02  d E =0.716762E-04
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192758349575E+02    0.18049E-05   -0.12019E-04    16   0.106E-01    0.376E-03
DAV:   2    -0.192758349758E+02   -0.18278E-07   -0.23907E-06    24   0.126E-02
  17 F= -.19275835E+02 E0= -.19279700E+02  d E =0.143446E-05
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192759375806E+02   -0.10262E-03   -0.28835E-03    16   0.461E-01    0.354E-02
DAV:   2    -0.192759086326E+02    0.28948E-04   -0.11845E-04    16   0.735E-02    0.135E-02
DAV:   3    -0.192759077176E+02    0.91503E-06   -0.11922E-05    24   0.252E-02    0.836E-03
DAV:   4    -0.192759077358E+02   -0.18231E-07   -0.41226E-06    24   0.128E-02
  18 F= -.19275908E+02 E0= -.19279773E+02  d E =-.727601E-04
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192758905046E+02    0.17213E-04   -0.26598E-04    16   0.158E-01    0.896E-03
DAV:   2    -0.192758888181E+02    0.16864E-05   -0.77377E-06    16   0.213E-02    0.390E-03
DAV:   3    -0.192758887192E+02    0.98996E-07   -0.12120E-06    16   0.783E-03
  19 F= -.19275889E+02 E0= -.19279754E+02  d E =0.190167E-04
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192750333757E+02    0.85544E-03   -0.23869E-02    16   0.149E+00    0.731E-02
DAV:   2    -0.192749299336E+02    0.10344E-03   -0.53064E-04    16   0.185E-01    0.337E-02
DAV:   3    -0.192749197096E+02    0.10224E-04   -0.11082E-04    16   0.761E-02    0.176E-02
DAV:   4    -0.192749191984E+02    0.51121E-06   -0.22895E-05    16   0.332E-02    0.904E-03
DAV:   5    -0.192749196560E+02   -0.45762E-06   -0.54756E-06    24   0.178E-02
  20 F= -.19274920E+02 E0= -.19278785E+02  d E =0.969063E-03
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192760407318E+02   -0.11215E-02   -0.19906E-02    16   0.131E+00    0.792E-02
DAV:   2    -0.192759092356E+02    0.13150E-03   -0.56217E-04    16   0.183E-01    0.334E-02
DAV:   3    -0.192759023170E+02    0.69186E-05   -0.10991E-04    16   0.718E-02    0.185E-02
DAV:   4    -0.192759011674E+02    0.11496E-05   -0.20339E-05    32   0.299E-02    0.908E-03
DAV:   5    -0.192759013730E+02   -0.20556E-06   -0.39185E-06    16   0.143E-02
  21 F= -.19275901E+02 E0= -.19279767E+02  d E =-.981717E-03
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192759122021E+02   -0.11035E-04   -0.26057E-03    16   0.502E-01    0.186E-02
DAV:   2    -0.192759073623E+02    0.48398E-05   -0.46892E-05    16   0.540E-02    0.961E-03
DAV:   3    -0.192759065452E+02    0.81709E-06   -0.69910E-06    24   0.220E-02
  22 F= -.19275907E+02 E0= -.19279772E+02  d E =-.517220E-05
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.192759205732E+02   -0.13211E-04   -0.62202E-04    16   0.247E-01    0.938E-03
DAV:   2    -0.192759194130E+02    0.11602E-05   -0.12993E-05    16   0.297E-02    0.435E-03
DAV:   3    -0.192759193427E+02    0.70221E-07   -0.21662E-06    16   0.107E-02
  23 F= -.19275919E+02 E0= -.19279785E+02  d E =-.127975E-04
quench:  g(F)=  0.000E+00 g(S)=  0.000E+00 dE (1.order)= 0.000E+00
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
