 ----------------------------------------------------
    OOO  PPPP  EEEEE N   N M   M PPPP
   O   O P   P E     NN  N MM MM P   P
   O   O PPPP  EEEEE N N N M M M PPPP   -- VERSION
   O   O P     E     N  NN M   M P
    OOO  P     EEEEE N   N M   M P
 ----------------------------------------------------
 running  128 mpi-ranks, with    1 threads/rank
 distrk:  each k-point on   32 cores,    4 groups
 distr:  one band on   16 cores,    2 groups
 vasp.6.3.2 27Jun22 (build Jun 30 2023 15:13:53) complex                         
 POSCAR found type information on POSCAR CuO 
 POSCAR found :  2 types and       2 ions
 Reading from existing POTCAR
 scaLAPACK will be used
 Reading from existing POTCAR
 LDA part: xc-table for Pade appr. of Perdew
 -----------------------------------------------------------------------------
|                                                                             |
|           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 requested file  could not be found or opened for reading            |
|     k-point information. Automatic k-point generation is used as a          |
|     fallback, which may lead to unwanted results.                           |
|                                                                             |
 -----------------------------------------------------------------------------

 INCAR ok, starting setup
 POSCAR 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     0.957101532464E+02    0.95710E+02   -0.93373E+03  7328   0.181E+03
DAV:   2    -0.260618827704E+00   -0.95971E+02   -0.87050E+02  7072   0.295E+02
DAV:   3    -0.528741401094E+01   -0.50268E+01   -0.49025E+01  8160   0.670E+01
DAV:   4    -0.533446889224E+01   -0.47055E-01   -0.47044E-01  7800   0.634E+00
DAV:   5    -0.533502296628E+01   -0.55407E-03   -0.55407E-03  8592   0.721E-01    0.271E+01
DAV:   6    -0.938164919751E+01   -0.40466E+01   -0.17830E+01  8648   0.127E+02    0.110E+01
DAV:   7    -0.812109748907E+01    0.12606E+01   -0.50343E+00  8304   0.916E+01    0.157E+00
DAV:   8    -0.815731484101E+01   -0.36217E-01   -0.35415E-01  7464   0.585E+00    0.720E-01
DAV:   9    -0.815575124917E+01    0.15636E-02   -0.77996E-03  9608   0.332E+00    0.272E-01
DAV:  10    -0.815684797277E+01   -0.10967E-02   -0.17189E-03  9752   0.726E-01    0.106E-01
DAV:  11    -0.815713368627E+01   -0.28571E-03   -0.12930E-04 10000   0.350E-01    0.107E-01
DAV:  12    -0.815755423724E+01   -0.42055E-03   -0.19536E-04  9504   0.594E-01    0.892E-02
DAV:  13    -0.815787387038E+01   -0.31963E-03   -0.24870E-04  9424   0.650E-01    0.103E-01
DAV:  14    -0.815801698477E+01   -0.14311E-03   -0.44176E-05  9576   0.210E-01    0.120E-01
DAV:  15    -0.815737454364E+01    0.64244E-03   -0.58268E-04  9032   0.116E+00    0.898E-02
DAV:  16    -0.815657226646E+01    0.80228E-03   -0.88512E-04  9712   0.131E+00    0.960E-02
DAV:  17    -0.815589897342E+01    0.67329E-03   -0.52644E-04 10064   0.962E-01    0.151E-01
DAV:  18    -0.815681387637E+01   -0.91490E-03   -0.79139E-04  9384   0.130E+00    0.101E-01
DAV:  19    -0.815754123396E+01   -0.72736E-03   -0.78969E-04  9928   0.120E+00    0.921E-02
DAV:  20    -0.815837530676E+01   -0.83407E-03   -0.71379E-04  9720   0.118E+00    0.179E-01
DAV:  21    -0.816066788540E+01   -0.22926E-02   -0.82314E-04  9848   0.132E+00    0.388E-01
DAV:  22    -0.816126533835E+01   -0.59745E-03   -0.11798E-04 10352   0.255E-01    0.414E-01
DAV:  23    -0.816025573700E+01    0.10096E-02   -0.79895E-05  9216   0.429E-01    0.365E-01
DAV:  24    -0.815897251359E+01    0.12832E-02   -0.23686E-04  9384   0.720E-01    0.261E-01
DAV:  25    -0.815793818607E+01    0.10343E-02   -0.43427E-04  9736   0.953E-01    0.130E-01
DAV:  26    -0.815744338305E+01    0.49480E-03   -0.36480E-04 10160   0.832E-01    0.100E-01
DAV:  27    -0.815720376576E+01    0.23962E-03   -0.12184E-04 10048   0.440E-01    0.106E-01
DAV:  28    -0.815648764297E+01    0.71612E-03   -0.59293E-04  9248   0.114E+00    0.105E-01
DAV:  29    -0.815619841219E+01    0.28923E-03   -0.16915E-04 10336   0.472E-01    0.126E-01
DAV:  30    -0.815568082546E+01    0.51759E-03   -0.15167E-04  9312   0.563E-01    0.186E-01
DAV:  31    -0.815521675853E+01    0.46407E-03   -0.92024E-05 10112   0.379E-01    0.229E-01
DAV:  32    -0.815487594125E+01    0.34082E-03   -0.27560E-05  7280   0.243E-01    0.249E-01
DAV:  33    -0.815500544560E+01   -0.12950E-03   -0.61695E-06  4360   0.959E-02    0.243E-01
DAV:  34    -0.815559450285E+01   -0.58906E-03   -0.91116E-05  9288   0.435E-01    0.197E-01
DAV:  35    -0.815576794427E+01   -0.17344E-03   -0.15845E-05  6648   0.159E-01    0.180E-01
DAV:  36    -0.815598328444E+01   -0.21534E-03   -0.28234E-05  7568   0.222E-01    0.153E-01
DAV:  37    -0.815629460954E+01   -0.31133E-03   -0.98731E-05  9472   0.401E-01    0.119E-01
DAV:  38    -0.815660361694E+01   -0.30901E-03   -0.12548E-04  9800   0.499E-01    0.103E-01
DAV:  39    -0.815702090009E+01   -0.41728E-03   -0.22446E-04  9488   0.686E-01    0.108E-01
DAV:  40    -0.815715528453E+01   -0.13438E-03   -0.42654E-05  9296   0.209E-01    0.108E-01
DAV:  41    -0.815713942876E+01    0.15856E-04   -0.58574E-06  3816   0.392E-02    0.108E-01
DAV:  42    -0.815714107212E+01   -0.16434E-05   -0.11666E-06  3376   0.135E-02
   1 F= -.81571411E+01 E0= -.81560804E+01  d E =-.815714E+01  mag=     0.4082
 curvature:   0.00 expect dE= 0.000E+00 dE for cont linesearch  0.000E+00
 trial: gam= 0.00000 g(F)=  0.379E-60 g(S)=  0.204E-02 ort = 0.000E+00 (trialstep = 0.100E+01)
 search vector abs. value=  0.204E-02
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.816582846779E+01   -0.86890E-02   -0.83409E-02  6952   0.745E+00    0.576E-01
DAV:   2    -0.816142654295E+01    0.44019E-02   -0.17351E-02  7504   0.496E+00    0.257E-01
DAV:   3    -0.816081880207E+01    0.60774E-03   -0.31715E-03  8424   0.253E+00    0.145E-01
DAV:   4    -0.816083383195E+01   -0.15030E-04   -0.41472E-04  9840   0.603E-01    0.973E-02
DAV:   5    -0.816154478262E+01   -0.71095E-03   -0.42813E-04  9808   0.824E-01    0.199E-01
DAV:   6    -0.816099678361E+01    0.54800E-03   -0.16139E-04  9064   0.585E-01    0.139E-01
DAV:   7    -0.816025345351E+01    0.74333E-03   -0.55861E-04  9568   0.111E+00    0.104E-01
DAV:   8    -0.815980185385E+01    0.45160E-03   -0.29250E-04  9968   0.692E-01    0.109E-01
DAV:   9    -0.815889454246E+01    0.90731E-03   -0.70729E-04  9320   0.123E+00    0.160E-01
DAV:  10    -0.815940647261E+01   -0.51193E-03   -0.19421E-04  9544   0.601E-01    0.117E-01
DAV:  11    -0.815920349000E+01    0.20298E-03   -0.30381E-05  7104   0.267E-01    0.130E-01
DAV:  12    -0.815946750863E+01   -0.26402E-03   -0.53937E-05  8112   0.364E-01    0.113E-01
DAV:  13    -0.816008242776E+01   -0.61492E-03   -0.40958E-04  9376   0.921E-01    0.112E-01
DAV:  14    -0.816078796026E+01   -0.70553E-03   -0.62802E-04  9784   0.110E+00    0.106E-01
DAV:  15    -0.816136019224E+01   -0.57223E-03   -0.29762E-04 10040   0.737E-01    0.164E-01
DAV:  16    -0.816100139352E+01    0.35880E-03   -0.99644E-05  9664   0.435E-01    0.121E-01
DAV:  17    -0.816057874963E+01    0.42264E-03   -0.20039E-04  9464   0.642E-01    0.102E-01
DAV:  18    -0.816033262852E+01    0.24612E-03   -0.98685E-05 10072   0.402E-01    0.108E-01
DAV:  19    -0.816013028642E+01    0.20234E-03   -0.43087E-05  8440   0.302E-01    0.112E-01
DAV:  20    -0.816002404744E+01    0.10624E-03   -0.17008E-05  6600   0.168E-01    0.113E-01
DAV:  21    -0.815974802039E+01    0.27603E-03   -0.92259E-05  9608   0.397E-01    0.109E-01
DAV:  22    -0.816016142093E+01   -0.41340E-03   -0.16322E-04  9248   0.600E-01    0.113E-01
DAV:  23    -0.816021350761E+01   -0.52087E-04   -0.89082E-06  5448   0.804E-02    0.112E-01
DAV:  24    -0.815952770150E+01    0.68581E-03   -0.42865E-04  8968   0.988E-01    0.109E-01
DAV:  25    -0.815956054090E+01   -0.32839E-04   -0.22833E-05  6600   0.554E-02    0.108E-01
DAV:  26    -0.815954251141E+01    0.18029E-04   -0.82762E-07  3672   0.326E-02    0.108E-01
DAV:  27    -0.815904320467E+01    0.49931E-03   -0.20032E-04  9480   0.653E-01    0.143E-01
DAV:  28    -0.815848261712E+01    0.56059E-03   -0.16250E-04 10032   0.531E-01    0.203E-01
DAV:  29    -0.815730667954E+01    0.11759E-02   -0.29850E-04  9416   0.789E-01    0.268E-01
DAV:  30    -0.815545446017E+01    0.18522E-02   -0.78590E-04  9584   0.124E+00    0.249E-01
DAV:  31    -0.815350928205E+01    0.19452E-02   -0.13606E-03  9720   0.157E+00    0.330E-01
DAV:  32    -0.815156509419E+01    0.19442E-02   -0.10482E-03 10192   0.129E+00    0.296E-01
DAV:  33    -0.815267064247E+01   -0.11055E-02   -0.56664E-04  9336   0.991E-01    0.333E-01
DAV:  34    -0.815129526921E+01    0.13754E-02   -0.85822E-04  9104   0.130E+00    0.256E-01
DAV:  35    -0.815310686595E+01   -0.18116E-02   -0.15794E-03  8880   0.174E+00    0.293E-01
DAV:  36    -0.815280576032E+01    0.30111E-03   -0.74787E-05  8416   0.185E-01    0.302E-01
DAV:  37    -0.815441311203E+01   -0.16074E-02   -0.71680E-04  9256   0.117E+00    0.206E-01
DAV:  38    -0.815805299213E+01   -0.36399E-02   -0.32309E-03  9536   0.242E+00    0.200E-01
DAV:  39    -0.816041919798E+01   -0.23662E-02   -0.41541E-03  9928   0.280E+00    0.896E-02
DAV:  40    -0.816487820063E+01   -0.44590E-02   -0.49864E-03  9680   0.320E+00    0.391E-01
DAV:  41    -0.816912527846E+01   -0.42471E-02   -0.14785E-03 10680   0.141E+00    0.501E-01
DAV:  42    -0.816490278145E+01    0.42225E-02   -0.11822E-03  9328   0.169E+00    0.427E-01
DAV:  43    -0.815986794557E+01    0.50348E-02   -0.59035E-03  9552   0.362E+00    0.109E-01
DAV:  44    -0.815900943682E+01    0.85851E-03   -0.17589E-03 10424   0.154E+00    0.122E-01
DAV:  45    -0.815893645154E+01    0.72985E-04   -0.11161E-04 10088   0.186E-01    0.138E-01
DAV:  46    -0.815928354007E+01   -0.34709E-03   -0.74820E-05  8968   0.410E-01    0.106E-01
DAV:  47    -0.815969594493E+01   -0.41240E-03   -0.17975E-04  9568   0.596E-01    0.925E-02
DAV:  48    -0.816038398898E+01   -0.68804E-03   -0.51309E-04  9576   0.103E+00    0.902E-02
DAV:  49    -0.816069610822E+01   -0.31212E-03   -0.16197E-04 10488   0.474E-01    0.862E-02
DAV:  50    -0.816114333050E+01   -0.44722E-03   -0.19779E-04  9376   0.643E-01    0.120E-01
DAV:  51    -0.816266241985E+01   -0.15191E-02   -0.63241E-04  9632   0.115E+00    0.295E-01
DAV:  52    -0.816489900888E+01   -0.22366E-02   -0.47547E-04 10096   0.947E-01    0.421E-01
DAV:  53    -0.816201468197E+01    0.28843E-02   -0.79310E-04  9344   0.138E+00    0.245E-01
DAV:  54    -0.816389789370E+01   -0.18832E-02   -0.35060E-04  9168   0.914E-01    0.388E-01
DAV:  55    -0.816429084698E+01   -0.39295E-03   -0.20810E-05  7648   0.158E-01    0.408E-01
DAV:  56    -0.816416184159E+01    0.12901E-03   -0.36855E-06  3704   0.647E-02    0.404E-01
DAV:  57    -0.816882073898E+01   -0.46589E-02   -0.12619E-03  9192   0.173E+00    0.509E-01
DAV:  58    -0.816655962122E+01    0.22611E-02   -0.32253E-04  9224   0.884E-01    0.461E-01
DAV:  59    -0.817056347433E+01   -0.40039E-02   -0.74613E-04  9168   0.137E+00    0.583E-01
DAV:  60    -0.816987735357E+01    0.68612E-03   -0.67867E-05  9544   0.283E-01
 -----------------------------------------------------------------------------
|                                                                             |
|           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 electronic self-consistency was not achieved in the given           |
|     number of steps (NELM). The forces and other quantities evaluated       |
|     might not be reliable so examine the results carefully. If you find     |
|     spurious results, we suggest increasing NELM, if you were close to      |
|     convergence or switching to a different ALGO or adjusting the           |
|     density mixing parameters otherwise.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

   2 F= -.81698774E+01 E0= -.81686902E+01  d E =-.127363E-01  mag=     0.6396
 trial-energy change:   -0.012736  1 .order    0.000644   -0.002041    0.003330
 step:   0.3801(harm=  0.3801)  dis= 0.00000  next Energy=    -8.157529 (dE=-0.388E-03)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.816813113886E+01    0.24323E-02   -0.32767E-02  7000   0.515E+00    0.659E-01
DAV:   2    -0.817127676558E+01   -0.31456E-02   -0.16587E-02  7728   0.623E+00    0.533E-01
DAV:   3    -0.817702966239E+01   -0.57529E-02   -0.31185E-03  9496   0.167E+00    0.525E-01
DAV:   4    -0.817942815286E+01   -0.23985E-02   -0.79524E-04  9720   0.128E+00    0.385E-01
DAV:   5    -0.818014657778E+01   -0.71842E-03   -0.25827E-03  9208   0.240E+00    0.571E-02
DAV:   6    -0.817999586335E+01    0.15071E-03   -0.54611E-04  9856   0.532E-01    0.100E-01
DAV:   7    -0.817992113024E+01    0.74733E-04   -0.40422E-04  9152   0.103E+00    0.120E-01
DAV:   8    -0.818014074571E+01   -0.21962E-03   -0.90157E-05  9016   0.521E-01    0.373E-02
DAV:   9    -0.818015066359E+01   -0.99179E-05   -0.12471E-05  5376   0.102E-01
   3 F= -.81801507E+01 E0= -.81798162E+01  d E =-.230096E-01  mag=     0.9888
 curvature:  -0.19 expect dE=-0.163E-02 dE for cont linesearch -0.163E-02
 ZBRENT: interpolating
 opt :   0.7253  next Energy=    -8.170335 (dE=-0.132E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.818226561277E+01   -0.21249E-02   -0.97916E-03  7064   0.263E+00    0.204E-01
DAV:   2    -0.818165405891E+01    0.61155E-03   -0.21803E-03  7584   0.189E+00    0.884E-02
DAV:   3    -0.818158158575E+01    0.72473E-04   -0.28119E-04  8336   0.822E-01    0.386E-02
DAV:   4    -0.818157569939E+01    0.58864E-05   -0.26279E-05  6976   0.154E-01    0.209E-02
DAV:   5    -0.818156911123E+01    0.65882E-05   -0.12292E-05  3448   0.123E-01
   4 F= -.81815691E+01 E0= -.81812397E+01  d E =-.244280E-01  mag=     0.9905
 curvature:  -0.05 expect dE=-0.317E-03 dE for cont linesearch -0.317E-03
 ZBRENT: interpolating
 opt :   0.8659  next Energy=    -8.170101 (dE=-0.130E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.818223842611E+01   -0.66273E-03   -0.17640E-03  7192   0.110E+00    0.835E-02
DAV:   2    -0.818213432798E+01    0.10410E-03   -0.34794E-04  7768   0.743E-01    0.338E-02
DAV:   3    -0.818212369037E+01    0.10638E-04   -0.42557E-05  7928   0.317E-01    0.159E-02
DAV:   4    -0.818212279678E+01    0.89359E-06   -0.33769E-06  3344   0.677E-02    0.815E-03
DAV:   5    -0.818212177837E+01    0.10184E-05   -0.25938E-06  3328   0.503E-02
   5 F= -.81821218E+01 E0= -.81817926E+01  d E =-.249807E-01  mag=     0.9907
 curvature:  -0.04 expect dE=-0.249E-03 dE for cont linesearch -0.249E-03
 ZBRENT: interpolating
 opt :   0.9363  next Energy=    -8.169983 (dE=-0.128E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.818242366087E+01   -0.30086E-03   -0.44102E-04  7112   0.551E-01    0.418E-02
DAV:   2    -0.818239756726E+01    0.26094E-04   -0.88925E-05  7560   0.377E-01    0.172E-02
DAV:   3    -0.818239471798E+01    0.28493E-05   -0.99718E-06  4072   0.161E-01    0.797E-03
DAV:   4    -0.818239458162E+01    0.13636E-06   -0.16368E-06  3328   0.351E-02    0.423E-03
DAV:   5    -0.818239433797E+01    0.24365E-06   -0.72735E-07  3328   0.245E-02
   6 F= -.81823943E+01 E0= -.81820653E+01  d E =-.252533E-01  mag=     0.9908
 curvature:  -0.02 expect dE=-0.110E-03 dE for cont linesearch -0.110E-03
 ZBRENT: interpolating
 opt :   0.9700  next Energy=    -8.169927 (dE=-0.128E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.818253042897E+01   -0.13585E-03   -0.10227E-04  6960   0.264E-01    0.202E-02
DAV:   2    -0.818252432031E+01    0.61087E-05   -0.20614E-05  4952   0.182E-01    0.833E-03
DAV:   3    -0.818252362774E+01    0.69257E-06   -0.22309E-06  3328   0.779E-02    0.390E-03
DAV:   4    -0.818252360027E+01    0.27469E-07   -0.48170E-07  3328   0.171E-02    0.211E-03
DAV:   5    -0.818252355121E+01    0.49054E-07   -0.18771E-07  3328   0.113E-02
   7 F= -.81825236E+01 E0= -.81821946E+01  d E =-.253825E-01  mag=     0.9909
 curvature:  -0.01 expect dE=-0.509E-04 dE for cont linesearch -0.509E-04
 trial: gam= 0.00000 g(F)=  0.230E-60 g(S)=  0.700E-02 ort = 0.378E-02 (trialstep = 0.290E+00)
 search vector abs. value=  0.700E-02
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.818617634219E+01   -0.36527E-02   -0.23977E-02  7088   0.406E+00    0.319E-01
DAV:   2    -0.818468509845E+01    0.14912E-02   -0.53073E-03  7568   0.297E+00    0.137E-01
DAV:   3    -0.818451522585E+01    0.16987E-03   -0.67370E-04  8328   0.127E+00    0.596E-02
DAV:   4    -0.818450210839E+01    0.13117E-04   -0.66598E-05  8824   0.239E-01    0.321E-02
DAV:   5    -0.818448640376E+01    0.15705E-04   -0.27408E-05  3872   0.188E-01    0.166E-02
DAV:   6    -0.818448467080E+01    0.17330E-05   -0.12402E-05  4008   0.717E-02
   8 F= -.81844847E+01 E0= -.81841567E+01  d E =-.196112E-02  mag=     0.9916
 ZBRENT: can't locate minimum, use default step
 trial-energy change:   -0.001961  1 .order   -0.001961   -0.002029   -0.001894
 step:   1.1588(harm=  4.3396)  dis= 0.00000  next Energy=    -8.197721 (dE=-0.152E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.820441076945E+01   -0.19924E-01   -0.21565E-01  7088   0.122E+01    0.956E-01
DAV:   2    -0.819102687809E+01    0.13384E-01   -0.48233E-02  7632   0.899E+00    0.418E-01
DAV:   3    -0.818951252905E+01    0.15143E-02   -0.61465E-03  8352   0.385E+00    0.178E-01
DAV:   4    -0.818940270485E+01    0.10982E-03   -0.60521E-04  9288   0.715E-01    0.961E-02
DAV:   5    -0.818927025908E+01    0.13245E-03   -0.30751E-04 10624   0.568E-01    0.506E-02
DAV:   6    -0.818925354771E+01    0.16711E-04   -0.75048E-05  8656   0.213E-01    0.115E-02
DAV:   7    -0.818925281757E+01    0.73014E-06   -0.45013E-06  3520   0.312E-02
   9 F= -.81892528E+01 E0= -.81889278E+01  d E =-.672927E-02  mag=     0.9940
 curvature:  -0.83 expect dE=-0.267E-02 dE for cont linesearch -0.267E-02
 ZBRENT: increasing intervall
 opt :   2.8971  next Energy=    -8.194379 (dE=-0.119E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.825446056564E+01   -0.65207E-01   -0.86700E-01  7008   0.244E+01    0.192E+00
DAV:   2    -0.820106599452E+01    0.53395E-01   -0.19835E-01  7728   0.183E+01    0.867E-01
DAV:   3    -0.819492734509E+01    0.61386E-02   -0.25683E-02  8384   0.785E+00    0.355E-01
DAV:   4    -0.819452581988E+01    0.40153E-03   -0.25077E-03  9384   0.143E+00    0.193E-01
DAV:   5    -0.819399179749E+01    0.53402E-03   -0.12939E-03 10560   0.115E+00    0.947E-02
DAV:   6    -0.819392853609E+01    0.63261E-04   -0.32905E-04  8744   0.462E-01    0.201E-02
DAV:   7    -0.819392749964E+01    0.10364E-05   -0.20697E-05  6472   0.594E-02
  10 F= -.81939275E+01 E0= -.81936088E+01  d E =-.114039E-01  mag=     0.9973
 curvature:  -1.60 expect dE=-0.244E-03 dE for cont linesearch -0.244E-03
 ZBRENT: extrapolating
 opt :   3.3827  next Energy=    -8.194179 (dE=-0.117E-01)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.819877654804E+01   -0.48480E-02   -0.66877E-02  7024   0.676E+00    0.531E-01
DAV:   2    -0.819466019423E+01    0.41164E-02   -0.15348E-02  7552   0.502E+00    0.238E-01
DAV:   3    -0.819418653559E+01    0.47366E-03   -0.19991E-03  8240   0.220E+00    0.101E-01
DAV:   4    -0.819416081572E+01    0.25720E-04   -0.18695E-04  9272   0.418E-01    0.534E-02
DAV:   5    -0.819411909836E+01    0.41717E-04   -0.10143E-04  9248   0.322E-01    0.257E-02
DAV:   6    -0.819411391097E+01    0.51874E-05   -0.29514E-05  7048   0.140E-01
  11 F= -.81941139E+01 E0= -.81937964E+01  d E =-.115904E-01  mag=     0.9977
 curvature:  -1.64 expect dE=-0.622E-05 dE for cont linesearch -0.622E-05
 trial: gam=-0.02272 g(F)=  0.446E-60 g(S)=  0.379E-05 ort = 0.163E-03 (trialstep = 0.908E+00)
 search vector abs. value=  0.215E-08
 reached required accuracy - stopping structural energy minimisation
 PROFILE, used timers:     371
