 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Mar 30 2021 17:29:28) complex           
 POSCAR found type information on POSCAR  H  N 
 03/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    -0.267667826143E+02   -0.26767E+02   -0.27384E+02    16   0.152E+02    0.518E+01
DAV:   2    -0.212682013987E+02    0.54986E+01   -0.85515E+00    16   0.266E+01    0.302E+01
DAV:   3    -0.194381076606E+02    0.18301E+01   -0.15231E+01    16   0.311E+01    0.341E+00
DAV:   4    -0.193168364663E+02    0.12127E+00   -0.77030E-01    16   0.758E+00    0.257E+00
DAV:   5    -0.192131665785E+02    0.10367E+00   -0.28781E-01    24   0.383E+00    0.125E+00
DAV:   6    -0.192140324903E+02   -0.86591E-03   -0.26351E-01    16   0.396E+00    0.834E-01
DAV:   7    -0.192088103049E+02    0.52222E-02   -0.38716E-02    32   0.151E+00    0.255E-01
DAV:   8    -0.192235289265E+02   -0.14719E-01   -0.16691E-02    16   0.768E-01    0.314E-01
DAV:   9    -0.192260779094E+02   -0.25490E-02   -0.12483E-03    24   0.263E-01    0.203E-01
DAV:  10    -0.192273224179E+02   -0.12445E-02   -0.27412E-03    16   0.348E-01    0.663E-02
DAV:  11    -0.192276897663E+02   -0.36735E-03   -0.21497E-04    16   0.989E-02    0.303E-02
DAV:  12    -0.192278159722E+02   -0.12621E-03   -0.59123E-05    24   0.428E-02    0.105E-02
DAV:  13    -0.192278541353E+02   -0.38163E-04   -0.13035E-05    24   0.201E-02    0.444E-03
DAV:  14    -0.192278640532E+02   -0.99179E-05   -0.65485E-06    24   0.155E-02    0.601E-03
DAV:  15    -0.192278665425E+02   -0.24892E-05   -0.81734E-07    16   0.604E-03    0.147E-03
DAV:  16    -0.192278678628E+02   -0.13203E-05   -0.96575E-08    16   0.179E-03    0.688E-04
DAV:  17    -0.192278686702E+02   -0.80740E-06   -0.43122E-08    16   0.101E-03
   1 F= -.19227869E+02 E0= -.19231734E+02  d E =-.192279E+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    -0.192390231592E+02   -0.11155E-01   -0.10067E-02    16   0.964E-01    0.435E-02
DAV:   2    -0.192389805657E+02    0.42593E-04   -0.23864E-04    16   0.118E-01    0.201E-02
DAV:   3    -0.192389771153E+02    0.34505E-05   -0.28252E-05    16   0.406E-02    0.122E-02
DAV:   4    -0.192389774215E+02   -0.30621E-06   -0.46188E-06    16   0.155E-02
   2 F= -.19238977E+02 E0= -.19242843E+02  d E =-.111088E-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    -0.193581283375E+02   -0.11915E+00   -0.17702E+00    16   0.127E+01    0.582E-01
DAV:   2    -0.193502824899E+02    0.78458E-02   -0.42777E-02    24   0.145E+00    0.270E-01
DAV:   3    -0.193497495850E+02    0.53290E-03   -0.18956E-03    16   0.348E-01    0.163E-01
DAV:   4    -0.193497289108E+02    0.20674E-04   -0.54068E-04    24   0.197E-01    0.336E-02
DAV:   5    -0.193497482986E+02   -0.19388E-04   -0.88655E-05    32   0.776E-02    0.112E-02
DAV:   6    -0.193497592652E+02   -0.10967E-04   -0.55758E-06    16   0.206E-02    0.494E-03
DAV:   7    -0.193497747823E+02   -0.15517E-04   -0.35614E-06    16   0.118E-02    0.218E-03
DAV:   8    -0.193497890567E+02   -0.14274E-04   -0.16923E-06    16   0.539E-03    0.129E-03
DAV:   9    -0.193497976595E+02   -0.86028E-05   -0.14333E-06    16   0.430E-03    0.101E-03
DAV:  10    -0.193498000539E+02   -0.23945E-05   -0.36034E-07    16   0.232E-03    0.313E-04
DAV:  11    -0.193498003140E+02   -0.26006E-06   -0.28190E-08    32   0.763E-04
   3 F= -.19349800E+02 E0= -.19353666E+02  d E =-.110823E+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    -0.194190248949E+02   -0.69225E-01   -0.35740E+00    16   0.180E+01    0.701E-01
DAV:   2    -0.194084126940E+02    0.10612E-01   -0.70108E-02    24   0.185E+00    0.328E-01
DAV:   3    -0.194075727202E+02    0.83997E-03   -0.21158E-03    16   0.393E-01    0.203E-01
DAV:   4    -0.194075394235E+02    0.33297E-04   -0.10885E-03    16   0.295E-01    0.387E-02
DAV:   5    -0.194075785939E+02   -0.39170E-04   -0.15778E-04    32   0.981E-02    0.166E-02
DAV:   6    -0.194075954486E+02   -0.16855E-04   -0.91408E-06    16   0.261E-02    0.764E-03
DAV:   7    -0.194076196002E+02   -0.24152E-04   -0.55979E-06    16   0.140E-02    0.280E-03
DAV:   8    -0.194076489540E+02   -0.29354E-04   -0.63405E-06    16   0.947E-03    0.240E-03
DAV:   9    -0.194076593474E+02   -0.10393E-04   -0.18497E-06    24   0.415E-03    0.178E-03
DAV:  10    -0.194076625004E+02   -0.31530E-05   -0.49375E-07    16   0.258E-03    0.188E-04
DAV:  11    -0.194076631992E+02   -0.69875E-06   -0.10331E-07    16   0.122E-03
   4 F= -.19407663E+02 E0= -.19411528E+02  d E =-.578629E-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    -0.194162097658E+02   -0.85473E-02   -0.66876E-01    16   0.767E+00    0.181E-01
DAV:   2    -0.194157247290E+02    0.48504E-03   -0.52690E-03    16   0.581E-01    0.909E-02
DAV:   3    -0.194156583949E+02    0.66334E-04   -0.41506E-04    16   0.183E-01    0.525E-02
DAV:   4    -0.194156620546E+02   -0.36597E-05   -0.10789E-04    16   0.845E-02    0.213E-02
DAV:   5    -0.194156645864E+02   -0.25317E-05   -0.29381E-05    32   0.432E-02    0.614E-03
DAV:   6    -0.194156683132E+02   -0.37269E-05   -0.20361E-06    16   0.128E-02    0.329E-03
DAV:   7    -0.194156741403E+02   -0.58271E-05   -0.12554E-06    16   0.676E-03    0.155E-03
DAV:   8    -0.194156807958E+02   -0.66554E-05   -0.11283E-06    24   0.400E-03    0.146E-03
DAV:   9    -0.194156840135E+02   -0.32177E-05   -0.82279E-07    16   0.360E-03    0.718E-04
DAV:  10    -0.194156848018E+02   -0.78832E-06   -0.12156E-07    24   0.130E-03
   5 F= -.19415685E+02 E0= -.19419550E+02  d E =-.802160E-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    -0.194373739830E+02   -0.21690E-01   -0.49387E+00    16   0.209E+01    0.405E-01
DAV:   2    -0.194359143719E+02    0.14596E-02   -0.24132E-02    16   0.137E+00    0.210E-01
DAV:   3    -0.194354303146E+02    0.48406E-03   -0.13944E-03    24   0.364E-01    0.987E-02
DAV:   4    -0.194354815226E+02   -0.51208E-04   -0.72282E-04    16   0.236E-01    0.242E-02
DAV:   5    -0.194355186416E+02   -0.37119E-04   -0.86525E-05    32   0.781E-02    0.142E-02
DAV:   6    -0.194355535861E+02   -0.34945E-04   -0.66213E-06    16   0.200E-02    0.633E-03
DAV:   7    -0.194355967678E+02   -0.43182E-04   -0.10338E-05    16   0.180E-02    0.311E-03
DAV:   8    -0.194356453607E+02   -0.48593E-04   -0.12034E-05    24   0.120E-02    0.261E-03
DAV:   9    -0.194356582575E+02   -0.12897E-04   -0.21580E-06    24   0.521E-03    0.146E-03
DAV:  10    -0.194356656586E+02   -0.74011E-05   -0.19756E-06    16   0.424E-03    0.396E-04
DAV:  11    -0.194356662129E+02   -0.55428E-06   -0.85241E-08    32   0.107E-03
   6 F= -.19435666E+02 E0= -.19439531E+02  d E =-.199814E-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    -0.194719524472E+02   -0.36287E-01   -0.29344E+01    16   0.517E+01    0.981E-01
DAV:   2    -0.194770521891E+02   -0.50997E-02   -0.23697E-01    24   0.417E+00    0.543E-01
DAV:   3    -0.194734857068E+02    0.35665E-02   -0.99742E-03    24   0.739E-01    0.300E-01
DAV:   4    -0.194739835710E+02   -0.49786E-03   -0.76206E-03    16   0.736E-01    0.713E-02
DAV:   5    -0.194742504386E+02   -0.26687E-03   -0.20957E-03    16   0.353E-01    0.451E-02
DAV:   6    -0.194742917062E+02   -0.41268E-04   -0.77745E-05    24   0.771E-02    0.329E-02
DAV:   7    -0.194744564645E+02   -0.16476E-03   -0.28454E-05    16   0.326E-02    0.171E-02
DAV:   8    -0.194745742573E+02   -0.11779E-03   -0.48605E-05    24   0.409E-02    0.661E-03
DAV:   9    -0.194747491412E+02   -0.17488E-03   -0.57529E-05    16   0.279E-02    0.546E-03
DAV:  10    -0.194747732103E+02   -0.24069E-04   -0.38790E-06    32   0.986E-03    0.238E-03
DAV:  11    -0.194747905110E+02   -0.17301E-04   -0.50340E-06    16   0.732E-03    0.219E-03
DAV:  12    -0.194747913166E+02   -0.80558E-06   -0.10364E-07    32   0.159E-03
   7 F= -.19474791E+02 E0= -.19478657E+02  d E =-.391251E-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    -0.194772886319E+02   -0.24981E-02   -0.15896E+01    16   0.391E+01    0.711E-01
DAV:   2    -0.194846772901E+02   -0.73887E-02   -0.14038E-01    16   0.320E+00    0.425E-01
DAV:   3    -0.194827323035E+02    0.19450E-02   -0.57358E-03    32   0.623E-01    0.245E-01
DAV:   4    -0.194828521500E+02   -0.11985E-03   -0.57669E-03    16   0.580E-01    0.736E-02
DAV:   5    -0.194828778174E+02   -0.25667E-04   -0.82028E-04    16   0.225E-01    0.272E-02
DAV:   6    -0.194829960705E+02   -0.11825E-03   -0.80158E-05    16   0.710E-02    0.134E-02
DAV:   7    -0.194832752763E+02   -0.27921E-03   -0.75215E-05    24   0.574E-02    0.128E-02
DAV:   8    -0.194833274260E+02   -0.52150E-04   -0.15343E-05    32   0.272E-02    0.625E-03
DAV:   9    -0.194834568871E+02   -0.12946E-03   -0.38754E-05    16   0.295E-02    0.170E-03
DAV:  10    -0.194834779998E+02   -0.21113E-04   -0.47871E-06    24   0.128E-02    0.345E-03
DAV:  11    -0.194834900760E+02   -0.12076E-04   -0.25177E-06    16   0.714E-03    0.990E-04
DAV:  12    -0.194834922200E+02   -0.21440E-05   -0.57125E-07    24   0.418E-03    0.701E-04
DAV:  13    -0.194834927307E+02   -0.51076E-06   -0.69910E-08    16   0.107E-03
   8 F= -.19483493E+02 E0= -.19487358E+02  d E =-.870141E-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    -0.194159327485E+02    0.67559E-01   -0.20588E+01    16   0.454E+01    0.867E-01
DAV:   2    -0.194288727293E+02   -0.12940E-01   -0.22600E-01    24   0.391E+00    0.534E-01
DAV:   3    -0.194253826609E+02    0.34901E-02   -0.10002E-02    24   0.640E-01    0.316E-01
DAV:   4    -0.194256728625E+02   -0.29020E-03   -0.88733E-03    16   0.666E-01    0.959E-02
DAV:   5    -0.194257012996E+02   -0.28437E-04   -0.15535E-03    16   0.287E-01    0.221E-02
DAV:   6    -0.194258679917E+02   -0.16669E-03   -0.38117E-05    16   0.613E-02    0.123E-02
DAV:   7    -0.194262323399E+02   -0.36435E-03   -0.87633E-05    16   0.576E-02    0.925E-03
DAV:   8    -0.194263381214E+02   -0.10578E-03   -0.15994E-05    24   0.262E-02    0.458E-03
DAV:   9    -0.194264462245E+02   -0.10810E-03   -0.24170E-05    16   0.236E-02    0.164E-03
DAV:  10    -0.194264732902E+02   -0.27066E-04   -0.41473E-06    24   0.995E-03    0.174E-03
DAV:  11    -0.194264818939E+02   -0.86038E-05   -0.14035E-06    16   0.483E-03    0.615E-04
DAV:  12    -0.194264834341E+02   -0.15401E-05   -0.28579E-07    24   0.297E-03    0.503E-04
DAV:  13    -0.194264837834E+02   -0.34931E-06   -0.59720E-08    16   0.123E-03
   9 F= -.19426484E+02 E0= -.19430349E+02  d E =0.570089E-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    -0.194780394998E+02   -0.51556E-01   -0.17343E+01    16   0.404E+01    0.756E-01
DAV:   2    -0.194798759837E+02   -0.18365E-02   -0.90002E-02    24   0.286E+00    0.422E-01
DAV:   3    -0.194782415221E+02    0.16345E-02   -0.56073E-03    16   0.615E-01    0.156E-01
DAV:   4    -0.194782892283E+02   -0.47706E-04   -0.10576E-03    32   0.266E-01    0.450E-02
DAV:   5    -0.194783842143E+02   -0.94986E-04   -0.50250E-05    16   0.619E-02    0.164E-02
DAV:   6    -0.194784925758E+02   -0.10836E-03   -0.15468E-05    16   0.270E-02    0.479E-03
DAV:   7    -0.194786103224E+02   -0.11775E-03   -0.19361E-05    16   0.211E-02    0.406E-03
DAV:   8    -0.194786631389E+02   -0.52816E-04   -0.95522E-06    24   0.142E-02    0.185E-03
DAV:   9    -0.194786865842E+02   -0.23445E-04   -0.40609E-06    16   0.794E-03    0.885E-04
DAV:  10    -0.194786924465E+02   -0.58623E-05   -0.77262E-07    24   0.360E-03    0.480E-04
DAV:  11    -0.194786943527E+02   -0.19062E-05   -0.27141E-07    16   0.180E-03    0.135E-04
DAV:  12    -0.194786947751E+02   -0.42239E-06   -0.38087E-08    16   0.796E-04
  10 F= -.19478695E+02 E0= -.19482560E+02  d E =-.522110E-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    -0.192177274356E+02    0.26097E+00   -0.13748E+02    16   0.111E+02    0.216E+00
DAV:   2    -0.193184617617E+02   -0.10073E+00   -0.14374E+00    16   0.108E+01    0.141E+00
DAV:   3    -0.192972440721E+02    0.21218E-01   -0.49246E-02    32   0.183E+00    0.885E-01
DAV:   4    -0.192942261021E+02    0.30180E-02   -0.45642E-02    16   0.175E+00    0.201E-01
DAV:   5    -0.192949525714E+02   -0.72647E-03   -0.43464E-03    24   0.556E-01    0.849E-02
DAV:   6    -0.192954152473E+02   -0.46268E-03   -0.15272E-04    16   0.959E-02    0.431E-02
DAV:   7    -0.192964941748E+02   -0.10789E-02   -0.39919E-04    16   0.132E-01    0.213E-02
DAV:   8    -0.192972352891E+02   -0.74111E-03   -0.27394E-04    16   0.828E-02    0.785E-03
DAV:   9    -0.192974550490E+02   -0.21976E-03   -0.55636E-05    16   0.331E-02    0.567E-03
DAV:  10    -0.192975837241E+02   -0.12868E-03   -0.38590E-05    24   0.234E-02    0.250E-03
DAV:  11    -0.192976026719E+02   -0.18948E-04   -0.35325E-06    24   0.719E-03    0.118E-03
DAV:  12    -0.192976142854E+02   -0.11614E-04   -0.31431E-06    16   0.601E-03    0.427E-04
DAV:  13    -0.192976148316E+02   -0.54624E-06   -0.36711E-08    32   0.123E-03
  11 F= -.19297615E+02 E0= -.19301480E+02  d E =0.181080E+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    -0.194330964442E+02   -0.13548E+00   -0.81777E+01    16   0.883E+01    0.166E+00
DAV:   2    -0.195095951968E+02   -0.76499E-01   -0.12130E+00    24   0.933E+00    0.116E+00
DAV:   3    -0.194895407580E+02    0.20054E-01   -0.49479E-02    24   0.149E+00    0.682E-01
DAV:   4    -0.194898391328E+02   -0.29837E-03   -0.69529E-02    32   0.192E+00    0.270E-01
DAV:   5    -0.194888621096E+02    0.97702E-03   -0.10700E-02    16   0.756E-01    0.801E-02
DAV:   6    -0.194891829386E+02   -0.32083E-03   -0.28755E-04    32   0.146E-01    0.391E-02
DAV:   7    -0.194898463823E+02   -0.66344E-03   -0.30163E-04    24   0.124E-01    0.217E-02
DAV:   8    -0.194902778119E+02   -0.43143E-03   -0.11471E-04    24   0.651E-02    0.992E-03
DAV:   9    -0.194907168024E+02   -0.43899E-03   -0.12702E-04    16   0.511E-02    0.430E-03
DAV:  10    -0.194908137545E+02   -0.96952E-04   -0.18595E-05    24   0.190E-02    0.242E-03
DAV:  11    -0.194908583832E+02   -0.44629E-04   -0.11096E-05    16   0.116E-02    0.839E-04
DAV:  12    -0.194908649955E+02   -0.66124E-05   -0.12649E-06    32   0.381E-03    0.339E-04
DAV:  13    -0.194908657299E+02   -0.73435E-06   -0.10779E-07    16   0.146E-03
  12 F= -.19490866E+02 E0= -.19494731E+02  d E =-.193251E+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    -0.194908646798E+02    0.31576E-06   -0.15496E-01    16   0.384E+00    0.110E-01
DAV:   2    -0.194907925685E+02    0.72111E-04   -0.18827E-03    32   0.373E-01    0.617E-02
DAV:   3    -0.194907387944E+02    0.53774E-04   -0.29736E-04    16   0.153E-01    0.176E-02
DAV:   4    -0.194907411473E+02   -0.23529E-05   -0.42973E-05    16   0.563E-02    0.849E-03
DAV:   5    -0.194907427236E+02   -0.15763E-05   -0.22040E-06    16   0.147E-02    0.300E-03
DAV:   6    -0.194907436018E+02   -0.87824E-06   -0.81742E-07    16   0.861E-03
  13 F= -.19490744E+02 E0= -.19494609E+02  d E =0.122128E-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    -0.194910936121E+02   -0.35089E-03   -0.57807E-01    16   0.751E+00    0.129E-01
DAV:   2    -0.194912349936E+02   -0.14138E-03   -0.32559E-03    16   0.537E-01    0.788E-02
DAV:   3    -0.194912099937E+02    0.25000E-04   -0.22307E-04    24   0.127E-01    0.287E-02
DAV:   4    -0.194912183194E+02   -0.83257E-05   -0.39031E-05    16   0.562E-02    0.763E-03
DAV:   5    -0.194912234509E+02   -0.51315E-05   -0.73095E-06    16   0.208E-02    0.336E-03
DAV:   6    -0.194912332760E+02   -0.98251E-05   -0.21607E-06    16   0.960E-03    0.218E-03
DAV:   7    -0.194912405515E+02   -0.72756E-05   -0.19527E-06    16   0.804E-03    0.150E-03
DAV:   8    -0.194912466762E+02   -0.61246E-05   -0.84156E-07    16   0.461E-03    0.743E-04
DAV:   9    -0.194912492065E+02   -0.25303E-05   -0.35170E-07    24   0.278E-03    0.248E-04
DAV:  10    -0.194912503267E+02   -0.11202E-05   -0.11882E-07    16   0.122E-03    0.141E-04
DAV:  11    -0.194912505990E+02   -0.27232E-06   -0.36616E-08    16   0.670E-04
  14 F= -.19491251E+02 E0= -.19495116E+02  d E =-.506997E-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    -0.194911140570E+02    0.13627E-03   -0.25767E-02    16   0.157E+00    0.409E-02
DAV:   2    -0.194911406522E+02   -0.26595E-04   -0.42186E-04    16   0.176E-01    0.214E-02
DAV:   3    -0.194911394159E+02    0.12363E-05   -0.14560E-05    16   0.375E-02    0.943E-03
DAV:   4    -0.194911401335E+02   -0.71752E-06   -0.38693E-06    24   0.175E-02
  15 F= -.19491140E+02 E0= -.19495005E+02  d E =0.110466E-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    -0.194913669218E+02   -0.22751E-03   -0.51464E-01    16   0.687E+00    0.134E-01
DAV:   2    -0.194914686423E+02   -0.10172E-03   -0.33042E-03    24   0.542E-01    0.738E-02
DAV:   3    -0.194914472324E+02    0.21410E-04   -0.12811E-04    16   0.944E-02    0.353E-02
DAV:   4    -0.194914676263E+02   -0.20394E-04   -0.71583E-05    16   0.743E-02    0.635E-03
DAV:   5    -0.194914693659E+02   -0.17396E-05   -0.94817E-06    32   0.256E-02    0.358E-03
DAV:   6    -0.194914706792E+02   -0.13133E-05   -0.40689E-07    16   0.447E-03    0.167E-03
DAV:   7    -0.194914721859E+02   -0.15066E-05   -0.28017E-07    16   0.371E-03    0.441E-04
DAV:   8    -0.194914739464E+02   -0.17605E-05   -0.21357E-07    16   0.204E-03    0.386E-04
DAV:   9    -0.194914746106E+02   -0.66419E-06   -0.61866E-08    16   0.117E-03
  16 F= -.19491475E+02 E0= -.19495340E+02  d E =-.334477E-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    -0.194913230809E+02    0.15087E-03   -0.41989E-01    16   0.627E+00    0.114E-01
DAV:   2    -0.194914577978E+02   -0.13472E-03   -0.30425E-03    16   0.494E-01    0.649E-02
DAV:   3    -0.194914261370E+02    0.31661E-04   -0.96639E-05    24   0.910E-02    0.330E-02
DAV:   4    -0.194914387353E+02   -0.12598E-04   -0.74018E-05    16   0.734E-02    0.640E-03
DAV:   5    -0.194914425090E+02   -0.37737E-05   -0.12702E-05    16   0.286E-02    0.326E-03
DAV:   6    -0.194914442979E+02   -0.17889E-05   -0.56132E-07    16   0.649E-03    0.205E-03
DAV:   7    -0.194914509997E+02   -0.67018E-05   -0.97276E-07    16   0.621E-03    0.104E-03
DAV:   8    -0.194914518201E+02   -0.82046E-06   -0.71640E-08    24   0.228E-03
  17 F= -.19491452E+02 E0= -.19495317E+02  d E =0.227905E-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    -0.194907134517E+02    0.73755E-03   -0.14741E-01    16   0.388E+00    0.675E-02
DAV:   2    -0.194907485775E+02   -0.35126E-04   -0.80865E-04    16   0.277E-01    0.426E-02
DAV:   3    -0.194907365069E+02    0.12071E-04   -0.77898E-05    24   0.637E-02    0.205E-02
DAV:   4    -0.194907399498E+02   -0.34429E-05   -0.14865E-05    16   0.308E-02    0.663E-03
DAV:   5    -0.194907425215E+02   -0.25717E-05   -0.69055E-06    16   0.174E-02    0.160E-03
DAV:   6    -0.194907491516E+02   -0.66301E-05   -0.53762E-07    16   0.464E-03    0.844E-04
DAV:   7    -0.194907560994E+02   -0.69478E-05   -0.72262E-07    16   0.369E-03    0.640E-04
DAV:   8    -0.194907604428E+02   -0.43434E-05   -0.64063E-07    24   0.334E-03    0.215E-04
DAV:   9    -0.194907610207E+02   -0.57794E-06   -0.41437E-08    24   0.921E-04
  18 F= -.19490761E+02 E0= -.19494626E+02  d E =0.690799E-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    -0.194911506858E+02   -0.39024E-03   -0.23706E-01    16   0.468E+00    0.896E-02
DAV:   2    -0.194912195709E+02   -0.68885E-04   -0.15966E-03    16   0.367E-01    0.499E-02
DAV:   3    -0.194912139821E+02    0.55888E-05   -0.57012E-05    16   0.751E-02    0.203E-02
DAV:   4    -0.194912230604E+02   -0.90784E-05   -0.27950E-05    24   0.447E-02    0.379E-03
DAV:   5    -0.194912243147E+02   -0.12543E-05   -0.29378E-06    24   0.164E-02    0.154E-03
DAV:   6    -0.194912246383E+02   -0.32363E-06   -0.11971E-07    16   0.278E-03
  19 F= -.19491225E+02 E0= -.19495090E+02  d E =-.463618E-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    -0.194649496455E+02    0.26275E-01   -0.25114E+01    16   0.478E+01    0.884E-01
DAV:   2    -0.194728244236E+02   -0.78748E-02   -0.14487E-01    16   0.362E+00    0.522E-01
DAV:   3    -0.194704576607E+02    0.23668E-02   -0.87624E-03    32   0.816E-01    0.229E-01
DAV:   4    -0.194704673675E+02   -0.97068E-05   -0.23282E-03    16   0.433E-01    0.494E-02
DAV:   5    -0.194705858554E+02   -0.11849E-03   -0.23977E-04    16   0.137E-01    0.232E-02
DAV:   6    -0.194706829003E+02   -0.97045E-04   -0.26262E-05    16   0.411E-02    0.892E-03
DAV:   7    -0.194707696800E+02   -0.86780E-04   -0.16235E-05    16   0.270E-02    0.460E-03
DAV:   8    -0.194708729677E+02   -0.10329E-03   -0.25413E-05    16   0.208E-02    0.242E-03
DAV:   9    -0.194709036814E+02   -0.30714E-04   -0.60927E-06    24   0.901E-03    0.120E-03
DAV:  10    -0.194709164428E+02   -0.12761E-04   -0.24185E-06    16   0.505E-03    0.722E-04
DAV:  11    -0.194709189911E+02   -0.25483E-05   -0.43623E-07    24   0.254E-03    0.515E-04
DAV:  12    -0.194709196004E+02   -0.60932E-06   -0.10790E-07    16   0.151E-03
  20 F= -.19470920E+02 E0= -.19474785E+02  d E =0.203050E-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    -0.194878174697E+02   -0.16898E-01   -0.12224E+01    16   0.338E+01    0.645E-01
DAV:   2    -0.194913048308E+02   -0.34874E-02   -0.94525E-02    16   0.282E+00    0.367E-01
DAV:   3    -0.194902536011E+02    0.10512E-02   -0.40716E-03    32   0.586E-01    0.185E-01
DAV:   4    -0.194903920587E+02   -0.13846E-03   -0.24162E-03    16   0.443E-01    0.415E-02
DAV:   5    -0.194904483161E+02   -0.56257E-04   -0.61062E-04    16   0.199E-01    0.222E-02
DAV:   6    -0.194904596584E+02   -0.11342E-04   -0.20326E-05    32   0.399E-02    0.140E-02
DAV:   7    -0.194905305123E+02   -0.70854E-04   -0.42046E-05    16   0.390E-02    0.832E-03
DAV:   8    -0.194905438249E+02   -0.13313E-04   -0.58596E-06    32   0.159E-02    0.357E-03
DAV:   9    -0.194905915374E+02   -0.47712E-04   -0.14491E-05    16   0.178E-02    0.390E-03
DAV:  10    -0.194906031141E+02   -0.11577E-04   -0.22788E-06    24   0.748E-03    0.233E-03
DAV:  11    -0.194906110728E+02   -0.79586E-05   -0.22944E-06    16   0.677E-03    0.449E-04
DAV:  12    -0.194906120329E+02   -0.96012E-06   -0.94850E-08    24   0.158E-03
  21 F= -.19490612E+02 E0= -.19494477E+02  d E =-.196924E-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    -0.194879052877E+02    0.27058E-02   -0.56192E+00    16   0.229E+01    0.430E-01
DAV:   2    -0.194901174250E+02   -0.22121E-02   -0.45384E-02    24   0.189E+00    0.248E-01
DAV:   3    -0.194896202275E+02    0.49720E-03   -0.18470E-03    16   0.325E-01    0.130E-01
DAV:   4    -0.194896746737E+02   -0.54446E-04   -0.10583E-03    16   0.276E-01    0.287E-02
DAV:   5    -0.194897034210E+02   -0.28747E-04   -0.19786E-04    16   0.113E-01    0.126E-02
DAV:   6    -0.194897339032E+02   -0.30482E-04   -0.14251E-05    16   0.286E-02    0.813E-03
DAV:   7    -0.194897736254E+02   -0.39722E-04   -0.15642E-05    16   0.266E-02    0.308E-03
DAV:   8    -0.194897977734E+02   -0.24148E-04   -0.45586E-06    16   0.126E-02    0.330E-03
DAV:   9    -0.194898132742E+02   -0.15501E-04   -0.41042E-06    24   0.100E-02    0.763E-04
DAV:  10    -0.194898183557E+02   -0.50815E-05   -0.63509E-07    16   0.344E-03    0.673E-04
DAV:  11    -0.194898206431E+02   -0.22874E-05   -0.33837E-07    24   0.200E-03    0.296E-04
DAV:  12    -0.194898209824E+02   -0.33922E-06   -0.38264E-08    16   0.759E-04
  22 F= -.19489821E+02 E0= -.19493686E+02  d E =0.791051E-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    -0.194913368573E+02   -0.15162E-02   -0.16099E+00    16   0.122E+01    0.225E-01
DAV:   2    -0.194916868827E+02   -0.35003E-03   -0.90665E-03    24   0.891E-01    0.129E-01
DAV:   3    -0.194915698794E+02    0.11700E-03   -0.41304E-04    16   0.178E-01    0.525E-02
DAV:   4    -0.194916074336E+02   -0.37554E-04   -0.16573E-04    16   0.110E-01    0.101E-02
DAV:   5    -0.194916164125E+02   -0.89789E-05   -0.14407E-05    16   0.340E-02    0.523E-03
DAV:   6    -0.194916242175E+02   -0.78050E-05   -0.14027E-06    16   0.974E-03    0.185E-03
DAV:   7    -0.194916320156E+02   -0.77981E-05   -0.72778E-07    16   0.446E-03    0.971E-04
DAV:   8    -0.194916393837E+02   -0.73681E-05   -0.12413E-06    16   0.423E-03    0.539E-04
DAV:   9    -0.194916413116E+02   -0.19279E-05   -0.24761E-07    16   0.194E-03    0.230E-04
DAV:  10    -0.194916420274E+02   -0.71580E-06   -0.10237E-07    16   0.110E-03
  23 F= -.19491642E+02 E0= -.19495507E+02  d E =-.182105E-02
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
