--------------------------------------------------------------------------
WARNING: Linux kernel CMA support was requested via the
btl_vader_single_copy_mechanism MCA variable, but CMA support is
not available due to restrictive ptrace settings.

The vader shared memory BTL will fall back on another single-copy
mechanism if one is available. This may result in lower performance.

  Local host: DESKTOP-EMLNJAS
--------------------------------------------------------------------------
 running on    6 total cores
 each image running on    2 cores
 distrk:  each k-point on    2 cores,    1 groups
 distr:  one band on    1 cores,    2 groups
 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Mar 30 2021 17:29:28) complex           
 POSCAR found type information on POSCAR  H  N 
 01/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    -0.267727128798E+02   -0.26773E+02   -0.27402E+02    16   0.152E+02    0.518E+01
DAV:   2    -0.212700161750E+02    0.55027E+01   -0.85569E+00    16   0.266E+01    0.302E+01
DAV:   3    -0.194383470321E+02    0.18317E+01   -0.15244E+01    16   0.312E+01    0.341E+00
DAV:   4    -0.193169340909E+02    0.12141E+00   -0.77103E-01    16   0.758E+00    0.257E+00
DAV:   5    -0.192131661072E+02    0.10377E+00   -0.28806E-01    24   0.383E+00    0.125E+00
DAV:   6    -0.192140301448E+02   -0.86404E-03   -0.26376E-01    16   0.396E+00    0.834E-01
DAV:   7    -0.192088031378E+02    0.52270E-02   -0.38739E-02    32   0.151E+00    0.255E-01
DAV:   8    -0.192235263498E+02   -0.14723E-01   -0.16701E-02    16   0.768E-01    0.314E-01
DAV:   9    -0.192260776329E+02   -0.25513E-02   -0.12503E-03    24   0.263E-01    0.203E-01
DAV:  10    -0.192273212698E+02   -0.12436E-02   -0.27396E-03    16   0.348E-01    0.661E-02
DAV:  11    -0.192276897300E+02   -0.36846E-03   -0.21489E-04    16   0.989E-02    0.303E-02
DAV:  12    -0.192278159416E+02   -0.12621E-03   -0.59030E-05    24   0.427E-02    0.105E-02
DAV:  13    -0.192278541415E+02   -0.38200E-04   -0.13039E-05    24   0.201E-02    0.445E-03
DAV:  14    -0.192278640472E+02   -0.99057E-05   -0.65606E-06    24   0.155E-02    0.601E-03
DAV:  15    -0.192278665400E+02   -0.24928E-05   -0.81575E-07    16   0.603E-03    0.147E-03
DAV:  16    -0.192278678604E+02   -0.13205E-05   -0.96744E-08    16   0.179E-03    0.687E-04
DAV:  17    -0.192278686695E+02   -0.80901E-06   -0.43080E-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    -0.192390231605E+02   -0.11155E-01   -0.10068E-02    16   0.964E-01    0.435E-02
DAV:   2    -0.192389805627E+02    0.42598E-04   -0.23868E-04    16   0.118E-01    0.201E-02
DAV:   3    -0.192389771136E+02    0.34491E-05   -0.28234E-05    16   0.406E-02    0.122E-02
DAV:   4    -0.192389774201E+02   -0.30648E-06   -0.46176E-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    -0.193581282978E+02   -0.11915E+00   -0.17702E+00    16   0.127E+01    0.582E-01
DAV:   2    -0.193502824755E+02    0.78458E-02   -0.42777E-02    24   0.145E+00    0.270E-01
DAV:   3    -0.193497495669E+02    0.53291E-03   -0.18957E-03    16   0.348E-01    0.163E-01
DAV:   4    -0.193497288925E+02    0.20674E-04   -0.54068E-04    24   0.197E-01    0.336E-02
DAV:   5    -0.193497482806E+02   -0.19388E-04   -0.88656E-05    32   0.776E-02    0.112E-02
DAV:   6    -0.193497592467E+02   -0.10966E-04   -0.55758E-06    16   0.206E-02    0.494E-03
DAV:   7    -0.193497747647E+02   -0.15518E-04   -0.35614E-06    16   0.118E-02    0.218E-03
DAV:   8    -0.193497890389E+02   -0.14274E-04   -0.16923E-06    16   0.539E-03    0.129E-03
DAV:   9    -0.193497976414E+02   -0.86024E-05   -0.14332E-06    16   0.430E-03    0.101E-03
DAV:  10    -0.193498000358E+02   -0.23945E-05   -0.36036E-07    16   0.232E-03    0.313E-04
DAV:  11    -0.193498002958E+02   -0.25999E-06   -0.28201E-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    -0.194190248896E+02   -0.69225E-01   -0.35740E+00    16   0.180E+01    0.701E-01
DAV:   2    -0.194084126856E+02    0.10612E-01   -0.70108E-02    24   0.185E+00    0.328E-01
DAV:   3    -0.194075727117E+02    0.83997E-03   -0.21158E-03    16   0.393E-01    0.203E-01
DAV:   4    -0.194075394149E+02    0.33297E-04   -0.10885E-03    16   0.295E-01    0.387E-02
DAV:   5    -0.194075785851E+02   -0.39170E-04   -0.15778E-04    32   0.981E-02    0.166E-02
DAV:   6    -0.194075954398E+02   -0.16855E-04   -0.91408E-06    16   0.261E-02    0.764E-03
DAV:   7    -0.194076195911E+02   -0.24151E-04   -0.55979E-06    16   0.140E-02    0.280E-03
DAV:   8    -0.194076489457E+02   -0.29355E-04   -0.63405E-06    16   0.947E-03    0.240E-03
DAV:   9    -0.194076593385E+02   -0.10393E-04   -0.18497E-06    24   0.415E-03    0.178E-03
DAV:  10    -0.194076624916E+02   -0.31530E-05   -0.49377E-07    16   0.258E-03    0.188E-04
DAV:  11    -0.194076631899E+02   -0.69837E-06   -0.10330E-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    -0.194162097572E+02   -0.85473E-02   -0.66876E-01    16   0.767E+00    0.181E-01
DAV:   2    -0.194157247205E+02    0.48504E-03   -0.52690E-03    16   0.581E-01    0.909E-02
DAV:   3    -0.194156583867E+02    0.66334E-04   -0.41506E-04    16   0.183E-01    0.525E-02
DAV:   4    -0.194156620456E+02   -0.36589E-05   -0.10789E-04    16   0.845E-02    0.213E-02
DAV:   5    -0.194156645777E+02   -0.25321E-05   -0.29381E-05    32   0.432E-02    0.614E-03
DAV:   6    -0.194156683039E+02   -0.37262E-05   -0.20360E-06    16   0.128E-02    0.329E-03
DAV:   7    -0.194156741323E+02   -0.58284E-05   -0.12554E-06    16   0.676E-03    0.155E-03
DAV:   8    -0.194156807869E+02   -0.66546E-05   -0.11283E-06    24   0.400E-03    0.146E-03
DAV:   9    -0.194156840050E+02   -0.32181E-05   -0.82277E-07    16   0.360E-03    0.718E-04
DAV:  10    -0.194156847935E+02   -0.78858E-06   -0.12155E-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    -0.194373739723E+02   -0.21690E-01   -0.49387E+00    16   0.209E+01    0.405E-01
DAV:   2    -0.194359143636E+02    0.14596E-02   -0.24132E-02    16   0.137E+00    0.210E-01
DAV:   3    -0.194354303049E+02    0.48406E-03   -0.13944E-03    24   0.364E-01    0.987E-02
DAV:   4    -0.194354815143E+02   -0.51209E-04   -0.72282E-04    16   0.236E-01    0.242E-02
DAV:   5    -0.194355186323E+02   -0.37118E-04   -0.86525E-05    32   0.781E-02    0.142E-02
DAV:   6    -0.194355535776E+02   -0.34945E-04   -0.66213E-06    16   0.200E-02    0.633E-03
DAV:   7    -0.194355967589E+02   -0.43181E-04   -0.10338E-05    16   0.180E-02    0.311E-03
DAV:   8    -0.194356453511E+02   -0.48592E-04   -0.12034E-05    24   0.120E-02    0.261E-03
DAV:   9    -0.194356582495E+02   -0.12898E-04   -0.21580E-06    24   0.521E-03    0.146E-03
DAV:  10    -0.194356656495E+02   -0.74001E-05   -0.19756E-06    16   0.424E-03    0.396E-04
DAV:  11    -0.194356662043E+02   -0.55482E-06   -0.85227E-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    -0.194719524390E+02   -0.36287E-01   -0.29344E+01    16   0.517E+01    0.981E-01
DAV:   2    -0.194770521805E+02   -0.50997E-02   -0.23697E-01    24   0.417E+00    0.543E-01
DAV:   3    -0.194734856984E+02    0.35665E-02   -0.99742E-03    24   0.739E-01    0.300E-01
DAV:   4    -0.194739835624E+02   -0.49786E-03   -0.76206E-03    16   0.736E-01    0.713E-02
DAV:   5    -0.194742504300E+02   -0.26687E-03   -0.20957E-03    16   0.353E-01    0.451E-02
DAV:   6    -0.194742916975E+02   -0.41268E-04   -0.77745E-05    24   0.771E-02    0.329E-02
DAV:   7    -0.194744564556E+02   -0.16476E-03   -0.28454E-05    16   0.326E-02    0.171E-02
DAV:   8    -0.194745742486E+02   -0.11779E-03   -0.48605E-05    24   0.409E-02    0.661E-03
DAV:   9    -0.194747491324E+02   -0.17488E-03   -0.57529E-05    16   0.279E-02    0.546E-03
DAV:  10    -0.194747732023E+02   -0.24070E-04   -0.38790E-06    32   0.986E-03    0.238E-03
DAV:  11    -0.194747905025E+02   -0.17300E-04   -0.50340E-06    16   0.732E-03    0.219E-03
DAV:  12    -0.194747913084E+02   -0.80583E-06   -0.10363E-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    -0.194772884017E+02   -0.24979E-02   -0.15896E+01    16   0.391E+01    0.711E-01
DAV:   2    -0.194846770793E+02   -0.73887E-02   -0.14038E-01    16   0.320E+00    0.425E-01
DAV:   3    -0.194827320872E+02    0.19450E-02   -0.57358E-03    32   0.623E-01    0.245E-01
DAV:   4    -0.194828519314E+02   -0.11984E-03   -0.57669E-03    16   0.580E-01    0.736E-02
DAV:   5    -0.194828776003E+02   -0.25669E-04   -0.82028E-04    16   0.225E-01    0.272E-02
DAV:   6    -0.194829958530E+02   -0.11825E-03   -0.80157E-05    16   0.710E-02    0.134E-02
DAV:   7    -0.194832750571E+02   -0.27920E-03   -0.75214E-05    24   0.574E-02    0.128E-02
DAV:   8    -0.194833272078E+02   -0.52151E-04   -0.15343E-05    32   0.272E-02    0.625E-03
DAV:   9    -0.194834566694E+02   -0.12946E-03   -0.38754E-05    16   0.295E-02    0.170E-03
DAV:  10    -0.194834777818E+02   -0.21112E-04   -0.47871E-06    24   0.128E-02    0.345E-03
DAV:  11    -0.194834898577E+02   -0.12076E-04   -0.25176E-06    16   0.714E-03    0.990E-04
DAV:  12    -0.194834920014E+02   -0.21437E-05   -0.57126E-07    24   0.418E-03    0.701E-04
DAV:  13    -0.194834925129E+02   -0.51152E-06   -0.69900E-08    16   0.107E-03
   8 F= -.19483493E+02 E0= -.19487358E+02  d E =-.870120E-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    -0.194159327299E+02    0.67559E-01   -0.20588E+01    16   0.454E+01    0.867E-01
DAV:   2    -0.194288727273E+02   -0.12940E-01   -0.22600E-01    24   0.391E+00    0.534E-01
DAV:   3    -0.194253826478E+02    0.34901E-02   -0.10002E-02    24   0.640E-01    0.316E-01
DAV:   4    -0.194256728477E+02   -0.29020E-03   -0.88734E-03    16   0.666E-01    0.959E-02
DAV:   5    -0.194257012857E+02   -0.28438E-04   -0.15535E-03    16   0.287E-01    0.221E-02
DAV:   6    -0.194258679762E+02   -0.16669E-03   -0.38117E-05    16   0.613E-02    0.123E-02
DAV:   7    -0.194262323236E+02   -0.36435E-03   -0.87632E-05    16   0.576E-02    0.925E-03
DAV:   8    -0.194263381058E+02   -0.10578E-03   -0.15994E-05    24   0.262E-02    0.458E-03
DAV:   9    -0.194264462101E+02   -0.10810E-03   -0.24170E-05    16   0.236E-02    0.164E-03
DAV:  10    -0.194264732759E+02   -0.27066E-04   -0.41473E-06    24   0.995E-03    0.174E-03
DAV:  11    -0.194264818797E+02   -0.86038E-05   -0.14035E-06    16   0.483E-03    0.615E-04
DAV:  12    -0.194264834204E+02   -0.15407E-05   -0.28576E-07    24   0.297E-03    0.503E-04
DAV:  13    -0.194264837690E+02   -0.34864E-06   -0.59705E-08    16   0.123E-03
   9 F= -.19426484E+02 E0= -.19430349E+02  d E =0.570087E-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    -0.194780394003E+02   -0.51556E-01   -0.17343E+01    16   0.404E+01    0.756E-01
DAV:   2    -0.194798758787E+02   -0.18365E-02   -0.90002E-02    24   0.286E+00    0.422E-01
DAV:   3    -0.194782414158E+02    0.16345E-02   -0.56073E-03    16   0.615E-01    0.156E-01
DAV:   4    -0.194782891219E+02   -0.47706E-04   -0.10576E-03    32   0.266E-01    0.450E-02
DAV:   5    -0.194783841079E+02   -0.94986E-04   -0.50250E-05    16   0.619E-02    0.164E-02
DAV:   6    -0.194784924694E+02   -0.10836E-03   -0.15468E-05    16   0.270E-02    0.479E-03
DAV:   7    -0.194786102154E+02   -0.11775E-03   -0.19361E-05    16   0.211E-02    0.406E-03
DAV:   8    -0.194786630319E+02   -0.52817E-04   -0.95523E-06    24   0.142E-02    0.185E-03
DAV:   9    -0.194786864776E+02   -0.23446E-04   -0.40609E-06    16   0.794E-03    0.885E-04
DAV:  10    -0.194786923402E+02   -0.58626E-05   -0.77265E-07    24   0.360E-03    0.480E-04
DAV:  11    -0.194786942456E+02   -0.19054E-05   -0.27138E-07    16   0.180E-03    0.135E-04
DAV:  12    -0.194786946684E+02   -0.42288E-06   -0.38095E-08    16   0.796E-04
  10 F= -.19478695E+02 E0= -.19482560E+02  d E =-.522109E-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    -0.192177160082E+02    0.26098E+00   -0.13748E+02    16   0.111E+02    0.216E+00
DAV:   2    -0.193184511576E+02   -0.10074E+00   -0.14374E+00    16   0.108E+01    0.141E+00
DAV:   3    -0.192972330431E+02    0.21218E-01   -0.49247E-02    32   0.183E+00    0.885E-01
DAV:   4    -0.192942150105E+02    0.30180E-02   -0.45642E-02    16   0.175E+00    0.201E-01
DAV:   5    -0.192949414907E+02   -0.72648E-03   -0.43465E-03    24   0.556E-01    0.849E-02
DAV:   6    -0.192954041677E+02   -0.46268E-03   -0.15272E-04    16   0.959E-02    0.431E-02
DAV:   7    -0.192964830877E+02   -0.10789E-02   -0.39919E-04    16   0.132E-01    0.213E-02
DAV:   8    -0.192972241994E+02   -0.74111E-03   -0.27393E-04    16   0.828E-02    0.785E-03
DAV:   9    -0.192974439675E+02   -0.21977E-03   -0.55640E-05    16   0.331E-02    0.567E-03
DAV:  10    -0.192975726424E+02   -0.12867E-03   -0.38589E-05    24   0.234E-02    0.250E-03
DAV:  11    -0.192975915913E+02   -0.18949E-04   -0.35328E-06    24   0.719E-03    0.118E-03
DAV:  12    -0.192976032045E+02   -0.11613E-04   -0.31430E-06    16   0.601E-03    0.427E-04
DAV:  13    -0.192976037512E+02   -0.54671E-06   -0.36714E-08    32   0.123E-03
  11 F= -.19297604E+02 E0= -.19301469E+02  d E =0.181091E+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    -0.194330957024E+02   -0.13549E+00   -0.81778E+01    16   0.883E+01    0.166E+00
DAV:   2    -0.195095955581E+02   -0.76500E-01   -0.12131E+00    24   0.933E+00    0.116E+00
DAV:   3    -0.194895406834E+02    0.20055E-01   -0.49480E-02    24   0.149E+00    0.682E-01
DAV:   4    -0.194898389404E+02   -0.29826E-03   -0.69529E-02    32   0.192E+00    0.270E-01
DAV:   5    -0.194888619504E+02    0.97699E-03   -0.10700E-02    16   0.756E-01    0.801E-02
DAV:   6    -0.194891827774E+02   -0.32083E-03   -0.28756E-04    32   0.146E-01    0.391E-02
DAV:   7    -0.194898462193E+02   -0.66344E-03   -0.30163E-04    24   0.124E-01    0.217E-02
DAV:   8    -0.194902776527E+02   -0.43143E-03   -0.11470E-04    24   0.651E-02    0.992E-03
DAV:   9    -0.194907166437E+02   -0.43899E-03   -0.12702E-04    16   0.511E-02    0.430E-03
DAV:  10    -0.194908135967E+02   -0.96953E-04   -0.18595E-05    24   0.190E-02    0.242E-03
DAV:  11    -0.194908582262E+02   -0.44630E-04   -0.11097E-05    16   0.116E-02    0.839E-04
DAV:  12    -0.194908648373E+02   -0.66111E-05   -0.12649E-06    32   0.381E-03    0.339E-04
DAV:  13    -0.194908655723E+02   -0.73500E-06   -0.10776E-07    16   0.146E-03
  12 F= -.19490866E+02 E0= -.19494731E+02  d E =-.193262E+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    -0.194908645668E+02    0.27053E-06   -0.15499E-01    16   0.384E+00    0.110E-01
DAV:   2    -0.194907924345E+02    0.72132E-04   -0.18831E-03    32   0.373E-01    0.617E-02
DAV:   3    -0.194907386467E+02    0.53788E-04   -0.29741E-04    16   0.153E-01    0.176E-02
DAV:   4    -0.194907410005E+02   -0.23538E-05   -0.42980E-05    16   0.563E-02    0.849E-03
DAV:   5    -0.194907425776E+02   -0.15771E-05   -0.22042E-06    16   0.147E-02    0.300E-03
DAV:   6    -0.194907434557E+02   -0.87811E-06   -0.81754E-07    16   0.861E-03
  13 F= -.19490743E+02 E0= -.19494609E+02  d E =0.122117E-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    -0.194910936274E+02   -0.35105E-03   -0.57807E-01    16   0.751E+00    0.129E-01
DAV:   2    -0.194912350129E+02   -0.14139E-03   -0.32560E-03    16   0.537E-01    0.788E-02
DAV:   3    -0.194912100115E+02    0.25001E-04   -0.22308E-04    24   0.127E-01    0.287E-02
DAV:   4    -0.194912183371E+02   -0.83255E-05   -0.39031E-05    16   0.562E-02    0.764E-03
DAV:   5    -0.194912234689E+02   -0.51318E-05   -0.73095E-06    16   0.208E-02    0.336E-03
DAV:   6    -0.194912332936E+02   -0.98247E-05   -0.21606E-06    16   0.960E-03    0.218E-03
DAV:   7    -0.194912405689E+02   -0.72753E-05   -0.19526E-06    16   0.804E-03    0.150E-03
DAV:   8    -0.194912466940E+02   -0.61251E-05   -0.84157E-07    16   0.461E-03    0.744E-04
DAV:   9    -0.194912492244E+02   -0.25303E-05   -0.35171E-07    24   0.278E-03    0.248E-04
DAV:  10    -0.194912503439E+02   -0.11196E-05   -0.11881E-07    16   0.122E-03    0.141E-04
DAV:  11    -0.194912506166E+02   -0.27262E-06   -0.36638E-08    16   0.670E-04
  14 F= -.19491251E+02 E0= -.19495116E+02  d E =-.507161E-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    -0.194911140727E+02    0.13627E-03   -0.25767E-02    16   0.157E+00    0.409E-02
DAV:   2    -0.194911406670E+02   -0.26594E-04   -0.42185E-04    16   0.176E-01    0.214E-02
DAV:   3    -0.194911394302E+02    0.12368E-05   -0.14561E-05    16   0.375E-02    0.943E-03
DAV:   4    -0.194911401478E+02   -0.71765E-06   -0.38695E-06    24   0.175E-02
  15 F= -.19491140E+02 E0= -.19495005E+02  d E =0.110469E-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    -0.194913669523E+02   -0.22752E-03   -0.51463E-01    16   0.687E+00    0.134E-01
DAV:   2    -0.194914686699E+02   -0.10172E-03   -0.33041E-03    24   0.542E-01    0.738E-02
DAV:   3    -0.194914472622E+02    0.21408E-04   -0.12811E-04    16   0.944E-02    0.353E-02
DAV:   4    -0.194914676559E+02   -0.20394E-04   -0.71580E-05    16   0.743E-02    0.635E-03
DAV:   5    -0.194914693951E+02   -0.17392E-05   -0.94815E-06    32   0.256E-02    0.358E-03
DAV:   6    -0.194914707089E+02   -0.13138E-05   -0.40687E-07    16   0.447E-03    0.167E-03
DAV:   7    -0.194914722153E+02   -0.15064E-05   -0.28015E-07    16   0.371E-03    0.441E-04
DAV:   8    -0.194914739757E+02   -0.17605E-05   -0.21353E-07    16   0.204E-03    0.386E-04
DAV:   9    -0.194914746400E+02   -0.66431E-06   -0.61907E-08    16   0.117E-03
  16 F= -.19491475E+02 E0= -.19495340E+02  d E =-.334492E-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    -0.194913225176E+02    0.15146E-03   -0.41985E-01    16   0.627E+00    0.114E-01
DAV:   2    -0.194914571633E+02   -0.13465E-03   -0.30418E-03    16   0.494E-01    0.649E-02
DAV:   3    -0.194914255115E+02    0.31652E-04   -0.96653E-05    24   0.910E-02    0.330E-02
DAV:   4    -0.194914381184E+02   -0.12607E-04   -0.73987E-05    16   0.733E-02    0.640E-03
DAV:   5    -0.194914418925E+02   -0.37741E-05   -0.12699E-05    16   0.286E-02    0.326E-03
DAV:   6    -0.194914436824E+02   -0.17899E-05   -0.56059E-07    16   0.649E-03    0.205E-03
DAV:   7    -0.194914503859E+02   -0.67035E-05   -0.97259E-07    16   0.621E-03    0.104E-03
DAV:   8    -0.194914512041E+02   -0.81818E-06   -0.71550E-08    24   0.228E-03
  17 F= -.19491451E+02 E0= -.19495316E+02  d E =0.234359E-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    -0.194907158879E+02    0.73450E-03   -0.14861E-01    16   0.390E+00    0.677E-02
DAV:   2    -0.194907515956E+02   -0.35708E-04   -0.82028E-04    16   0.279E-01    0.429E-02
DAV:   3    -0.194907390157E+02    0.12580E-04   -0.78461E-05    24   0.646E-02    0.205E-02
DAV:   4    -0.194907424085E+02   -0.33927E-05   -0.15524E-05    16   0.319E-02    0.665E-03
DAV:   5    -0.194907450004E+02   -0.25920E-05   -0.71235E-06    16   0.178E-02    0.168E-03
DAV:   6    -0.194907513130E+02   -0.63126E-05   -0.53453E-07    16   0.478E-03    0.883E-04
DAV:   7    -0.194907581823E+02   -0.68693E-05   -0.70906E-07    16   0.384E-03    0.673E-04
DAV:   8    -0.194907627330E+02   -0.45507E-05   -0.66364E-07    24   0.345E-03    0.232E-04
DAV:   9    -0.194907633382E+02   -0.60522E-06   -0.44149E-08    24   0.982E-04
  18 F= -.19490763E+02 E0= -.19494629E+02  d E =0.687866E-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    -0.194911684369E+02   -0.40570E-03   -0.23570E-01    16   0.466E+00    0.892E-02
DAV:   2    -0.194912363521E+02   -0.67915E-04   -0.15681E-03    16   0.365E-01    0.494E-02
DAV:   3    -0.194912312894E+02    0.50627E-05   -0.54507E-05    16   0.732E-02    0.202E-02
DAV:   4    -0.194912403568E+02   -0.90674E-05   -0.27883E-05    24   0.444E-02    0.368E-03
DAV:   5    -0.194912415453E+02   -0.11885E-05   -0.28838E-06    24   0.162E-02    0.157E-03
DAV:   6    -0.194912418677E+02   -0.32245E-06   -0.12810E-07    16   0.281E-03
  19 F= -.19491242E+02 E0= -.19495107E+02  d E =-.478530E-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    -0.194593778934E+02    0.31864E-01   -0.25226E+01    16   0.479E+01    0.892E-01
DAV:   2    -0.194663996606E+02   -0.70218E-02   -0.14224E-01    16   0.369E+00    0.526E-01
DAV:   3    -0.194641052838E+02    0.22944E-02   -0.93096E-03    32   0.846E-01    0.224E-01
DAV:   4    -0.194641479351E+02   -0.42651E-04   -0.21000E-03    16   0.411E-01    0.494E-02
DAV:   5    -0.194642729148E+02   -0.12498E-03   -0.23649E-04    16   0.134E-01    0.235E-02
DAV:   6    -0.194643936798E+02   -0.12076E-03   -0.36784E-05    16   0.479E-02    0.793E-03
DAV:   7    -0.194644676958E+02   -0.74016E-04   -0.13414E-05    16   0.245E-02    0.439E-03
DAV:   8    -0.194645738678E+02   -0.10617E-03   -0.24279E-05    16   0.190E-02    0.239E-03
DAV:   9    -0.194646053031E+02   -0.31435E-04   -0.59240E-06    16   0.939E-03    0.110E-03
DAV:  10    -0.194646202497E+02   -0.14947E-04   -0.31658E-06    16   0.564E-03    0.701E-04
DAV:  11    -0.194646224603E+02   -0.22106E-05   -0.36405E-07    24   0.227E-03    0.395E-04
DAV:  12    -0.194646229783E+02   -0.51797E-06   -0.91270E-08    16   0.135E-03
  20 F= -.19464623E+02 E0= -.19468488E+02  d E =0.266189E-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    -0.194879811190E+02   -0.23359E-01   -0.12470E+01    16   0.342E+01    0.661E-01
DAV:   2    -0.194915421719E+02   -0.35611E-02   -0.10373E-01    24   0.287E+00    0.384E-01
DAV:   3    -0.194902867809E+02    0.12554E-02   -0.49367E-03    32   0.562E-01    0.196E-01
DAV:   4    -0.194904768532E+02   -0.19007E-03   -0.23713E-03    16   0.443E-01    0.430E-02
DAV:   5    -0.194905411424E+02   -0.64289E-04   -0.50373E-04    16   0.184E-01    0.221E-02
DAV:   6    -0.194905879085E+02   -0.46766E-04   -0.35833E-05    16   0.457E-02    0.105E-02
DAV:   7    -0.194906463760E+02   -0.58468E-04   -0.12319E-05    16   0.259E-02    0.418E-03
DAV:   8    -0.194906961156E+02   -0.49740E-04   -0.20412E-05    16   0.257E-02    0.608E-03
DAV:   9    -0.194907240865E+02   -0.27971E-04   -0.10727E-05    24   0.172E-02    0.129E-03
DAV:  10    -0.194907319473E+02   -0.78608E-05   -0.10464E-06    16   0.490E-03    0.701E-04
DAV:  11    -0.194907362705E+02   -0.43232E-05   -0.52381E-07    24   0.227E-03    0.319E-04
DAV:  12    -0.194907379046E+02   -0.16341E-05   -0.26004E-07    16   0.147E-03    0.155E-04
DAV:  13    -0.194907381645E+02   -0.25987E-06   -0.48626E-08    24   0.725E-04
  21 F= -.19490738E+02 E0= -.19494603E+02  d E =-.261152E-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    -0.194885421886E+02    0.21957E-02   -0.55836E+00    16   0.229E+01    0.425E-01
DAV:   2    -0.194901904955E+02   -0.16483E-02   -0.38427E-02    16   0.183E+00    0.240E-01
DAV:   3    -0.194898073362E+02    0.38316E-03   -0.15125E-03    32   0.347E-01    0.121E-01
DAV:   4    -0.194898402243E+02   -0.32888E-04   -0.90799E-04    16   0.258E-01    0.249E-02
DAV:   5    -0.194898710234E+02   -0.30799E-04   -0.16883E-04    16   0.104E-01    0.110E-02
DAV:   6    -0.194898899562E+02   -0.18933E-04   -0.81217E-06    32   0.238E-02    0.609E-03
DAV:   7    -0.194899324677E+02   -0.42512E-04   -0.65794E-06    16   0.166E-02    0.254E-03
DAV:   8    -0.194899537646E+02   -0.21297E-04   -0.54918E-06    16   0.133E-02    0.330E-03
DAV:   9    -0.194899732213E+02   -0.19457E-04   -0.55959E-06    16   0.121E-02    0.662E-04
DAV:  10    -0.194899778454E+02   -0.46240E-05   -0.59729E-07    24   0.399E-03    0.502E-04
DAV:  11    -0.194899808267E+02   -0.29813E-05   -0.51047E-07    16   0.227E-03    0.188E-04
DAV:  12    -0.194899811736E+02   -0.34693E-06   -0.48852E-08    24   0.888E-04
  22 F= -.19489981E+02 E0= -.19493846E+02  d E =0.756991E-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    -0.194913226379E+02   -0.13418E-02   -0.16138E+00    16   0.122E+01    0.225E-01
DAV:   2    -0.194916793787E+02   -0.35674E-03   -0.90422E-03    16   0.907E-01    0.127E-01
DAV:   3    -0.194915756099E+02    0.10377E-03   -0.38232E-04    32   0.189E-01    0.512E-02
DAV:   4    -0.194916076157E+02   -0.32006E-04   -0.15351E-04    16   0.109E-01    0.893E-03
DAV:   5    -0.194916184123E+02   -0.10797E-04   -0.15749E-05    16   0.365E-02    0.373E-03
DAV:   6    -0.194916233626E+02   -0.49503E-05   -0.80560E-07    32   0.757E-03    0.214E-03
DAV:   7    -0.194916321080E+02   -0.87454E-05   -0.12955E-06    16   0.584E-03    0.986E-04
DAV:   8    -0.194916380364E+02   -0.59284E-05   -0.11132E-06    16   0.433E-03    0.721E-04
DAV:   9    -0.194916392553E+02   -0.12189E-05   -0.11883E-07    24   0.156E-03    0.528E-04
DAV:  10    -0.194916405415E+02   -0.12862E-05   -0.24316E-07    16   0.177E-03    0.142E-04
DAV:  11    -0.194916406590E+02   -0.11748E-06   -0.10408E-08    24   0.526E-04
  23 F= -.19491641E+02 E0= -.19495506E+02  d E =-.165949E-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
